USER MOD reduce.3.24.130724 H: found=0, std=0, add=1668, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 55 SER OG : rot -170:sc= 0.814 USER MOD Set 1.2: B 85 LYS NZ :NH3+ -145:sc= 2.29 (180deg=-0.0281!) USER MOD Set 2.1: A 48 HIS : no HE2:sc= 1.49 K(o=3.3,f=-19!) USER MOD Set 2.2: A 89 LYS NZ :NH3+ -162:sc= 1.79 (180deg=0.77) USER MOD Set 3.1: A 55 SER OG : rot 130:sc= 1.12 USER MOD Set 3.2: A 85 LYS NZ :NH3+ -179:sc= 1.23 (180deg=0) USER MOD Set 4.1: A 44 GLN : amide:sc= 0.133 K(o=0.13,f=-1.5) USER MOD Set 4.2: A 45 GLN : amide:sc=-0.00621 K(o=0.13,f=-7.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -117:sc= 0.19 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0742 USER MOD Single : A 12 SER OG : rot 68:sc= 0.281 USER MOD Single : A 15 THR OG1 : rot 76:sc= 1.22 USER MOD Single : A 18 THR OG1 : rot 115:sc= 1.33 USER MOD Single : A 19 THR OG1 : rot -163:sc= -0.374 USER MOD Single : A 22 THR OG1 : rot -97:sc= 1.13 USER MOD Single : A 26 GLN : amide:sc= 0.368 X(o=0.37,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= 1.07 (180deg=0.774) USER MOD Single : A 32 SER OG : rot 111:sc= 0.5 USER MOD Single : A 34 SER OG : rot 75:sc= 1.28 USER MOD Single : A 36 ASN : amide:sc= -0.33 K(o=-0.33,f=-7.1!) USER MOD Single : A 39 LYS NZ :NH3+ -167:sc= 0.997 (180deg=0.801) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00854) USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= -0.66 (180deg=-1.22) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -176:sc= 0.181 (180deg=-0.605) USER MOD Single : A 62 SER OG : rot 75:sc= 1 USER MOD Single : A 66 ASN : amide:sc= -0.497 X(o=-0.5,f=-0.11) USER MOD Single : A 67 GLN : amide:sc= -0.885 K(o=-0.88,f=-4.3!) USER MOD Single : A 69 SER OG : rot 180:sc= 0.0653 USER MOD Single : A 72 LYS NZ :NH3+ 166:sc= 2.09 (180deg=1.1) USER MOD Single : A 74 ASN : amide:sc= -0.514 X(o=-0.51,f=-0.37) USER MOD Single : A 76 TYR OH : rot 150:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ -124:sc= 1.09 (180deg=-0.95!) USER MOD Single : A 94 LYS NZ :NH3+ 158:sc= 0.48 (180deg=-2.11!) USER MOD Single : A 97 LYS NZ :NH3+ -173:sc= 1.26 (180deg=1.09) USER MOD Single : A 98 LYS NZ :NH3+ -173:sc= 0.694 (180deg=0.479) USER MOD Single : B 1 MET CE :methyl -156:sc= -0.0566 (180deg=-1.46) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 SER OG : rot -130:sc= -0.0784 USER MOD Single : B 15 THR OG1 : rot 92:sc= 1.24 USER MOD Single : B 18 THR OG1 : rot 83:sc= 0.879 USER MOD Single : B 19 THR OG1 : rot 84:sc= 0.0337 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= -0.427! (180deg=-0.428!) USER MOD Single : B 32 SER OG : rot 130:sc= 0.202 USER MOD Single : B 34 SER OG : rot 180:sc=5.24e-05 USER MOD Single : B 36 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.35) USER MOD Single : B 39 LYS NZ :NH3+ 174:sc= 1.04 (180deg=0.902) USER MOD Single : B 43 THR OG1 : rot 150:sc= 1.12 USER MOD Single : B 44 GLN : amide:sc= 0.0641 X(o=0.064,f=0) USER MOD Single : B 45 GLN : amide:sc= -0.369 X(o=-0.37,f=-0.038) USER MOD Single : B 48 HIS : no HE2:sc= -0.371 K(o=-0.37,f=-6!) USER MOD Single : B 51 LYS NZ :NH3+ 171:sc= 2.4 (180deg=2.16) USER MOD Single : B 59 LYS NZ :NH3+ -154:sc= 0.247 (180deg=-1.97) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ 179:sc= 0.0358! (180deg=-0.000257!) USER MOD Single : B 62 SER OG : rot -90:sc= 0.988 USER MOD Single : B 66 ASN : amide:sc= -0.194 K(o=-0.19,f=-1) USER MOD Single : B 67 GLN : amide:sc= -0.675 X(o=-0.67,f=-0.5) USER MOD Single : B 69 SER OG : rot 180:sc= 0.379 USER MOD Single : B 72 LYS NZ :NH3+ 170:sc= 1.17 (180deg=1.05) USER MOD Single : B 74 ASN : amide:sc= 0.923 K(o=0.92,f=-1.4) USER MOD Single : B 76 TYR OH : rot 30:sc= 0 USER MOD Single : B 89 LYS NZ :NH3+ -117:sc= 1.2 (180deg=-0.395) USER MOD Single : B 90 LYS NZ :NH3+ -159:sc= 1.19 (180deg=0.684) USER MOD Single : B 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 94 LYS NZ :NH3+ -105:sc= 1.32! (180deg=-0.0117) USER MOD Single : B 97 LYS NZ :NH3+ -168:sc= 1.47 (180deg=1.3) USER MOD Single : B 98 LYS NZ :NH3+ -155:sc= -0.773 (180deg=-1.88) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.456 -16.344 12.522 1.00 5.15 N ATOM 2 CA MET A 1 -7.859 -16.738 12.306 1.00 4.03 C ATOM 3 C MET A 1 -8.548 -15.648 11.492 1.00 3.22 C ATOM 4 O MET A 1 -7.934 -14.612 11.242 1.00 3.63 O ATOM 5 CB MET A 1 -8.591 -16.978 13.636 1.00 3.92 C ATOM 6 CG MET A 1 -8.200 -18.301 14.304 1.00 4.59 C ATOM 7 SD MET A 1 -9.147 -18.651 15.807 1.00 5.14 S ATOM 8 CE MET A 1 -8.525 -20.298 16.206 1.00 5.94 C ATOM 0 H1 MET A 1 -5.827 -17.034 12.063 1.00 5.15 H new ATOM 0 H2 MET A 1 -6.293 -15.402 12.113 1.00 5.15 H new ATOM 0 H3 MET A 1 -6.256 -16.318 13.542 1.00 5.15 H new ATOM 0 HA MET A 1 -7.887 -17.681 11.760 1.00 4.03 H new ATOM 0 HB2 MET A 1 -8.374 -16.155 14.317 1.00 3.92 H new ATOM 0 HB3 MET A 1 -9.667 -16.970 13.459 1.00 3.92 H new ATOM 0 HG2 MET A 1 -8.344 -19.115 13.594 1.00 4.59 H new ATOM 0 HG3 MET A 1 -7.138 -18.276 14.549 1.00 4.59 H new ATOM 0 HE1 MET A 1 -9.011 -20.661 17.112 1.00 5.94 H new ATOM 0 HE2 MET A 1 -8.741 -20.978 15.382 1.00 5.94 H new ATOM 0 HE3 MET A 1 -7.448 -20.251 16.366 1.00 5.94 H new ATOM 20 N ALA A 2 -9.793 -15.896 11.080 1.00 2.63 N ATOM 21 CA ALA A 2 -10.588 -15.008 10.257 1.00 2.14 C ATOM 22 C ALA A 2 -12.055 -15.329 10.537 1.00 1.84 C ATOM 23 O ALA A 2 -12.427 -16.500 10.498 1.00 2.42 O ATOM 24 CB ALA A 2 -10.247 -15.268 8.785 1.00 3.03 C ATOM 0 H ALA A 2 -10.285 -16.755 11.324 1.00 2.63 H new ATOM 0 HA ALA A 2 -10.388 -13.959 10.477 1.00 2.14 H new ATOM 0 HB1 ALA A 2 -10.838 -14.606 8.152 1.00 3.03 H new ATOM 0 HB2 ALA A 2 -9.187 -15.078 8.618 1.00 3.03 H new ATOM 0 HB3 ALA A 2 -10.473 -16.305 8.537 1.00 3.03 H new ATOM 30 N ALA A 3 -12.879 -14.316 10.819 1.00 1.68 N ATOM 31 CA ALA A 3 -14.330 -14.431 10.727 1.00 2.15 C ATOM 32 C ALA A 3 -14.843 -13.163 10.044 1.00 1.87 C ATOM 33 O ALA A 3 -15.766 -12.498 10.510 1.00 2.38 O ATOM 34 CB ALA A 3 -14.916 -14.613 12.130 1.00 3.06 C ATOM 0 H ALA A 3 -12.556 -13.396 11.117 1.00 1.68 H new ATOM 0 HA ALA A 3 -14.634 -15.299 10.142 1.00 2.15 H new ATOM 0 HB1 ALA A 3 -16.001 -14.699 12.063 1.00 3.06 H new ATOM 0 HB2 ALA A 3 -14.507 -15.518 12.580 1.00 3.06 H new ATOM 0 HB3 ALA A 3 -14.658 -13.752 12.747 1.00 3.06 H new ATOM 40 N GLU A 4 -14.254 -12.912 8.877 1.00 1.29 N ATOM 41 CA GLU A 4 -14.333 -11.689 8.100 1.00 1.22 C ATOM 42 C GLU A 4 -14.627 -12.097 6.657 1.00 1.11 C ATOM 43 O GLU A 4 -13.749 -12.675 6.018 1.00 1.11 O ATOM 44 CB GLU A 4 -12.988 -10.919 8.165 1.00 1.47 C ATOM 45 CG GLU A 4 -11.859 -11.721 8.825 1.00 2.25 C ATOM 46 CD GLU A 4 -10.465 -11.215 8.516 1.00 3.57 C ATOM 47 OE1 GLU A 4 -10.202 -10.010 8.675 1.00 3.96 O ATOM 48 OE2 GLU A 4 -9.600 -12.076 8.250 1.00 5.09 O ATOM 0 H GLU A 4 -13.668 -13.612 8.422 1.00 1.29 H new ATOM 0 HA GLU A 4 -15.111 -11.034 8.492 1.00 1.22 H new ATOM 0 HB2 GLU A 4 -12.686 -10.644 7.154 1.00 1.47 H new ATOM 0 HB3 GLU A 4 -13.135 -9.991 8.717 1.00 1.47 H new ATOM 0 HG2 GLU A 4 -12.005 -11.709 9.905 1.00 2.25 H new ATOM 0 HG3 GLU A 4 -11.934 -12.760 8.505 1.00 2.25 H new ATOM 55 N PRO A 5 -15.822 -11.826 6.109 1.00 1.32 N ATOM 56 CA PRO A 5 -16.096 -12.072 4.700 1.00 1.49 C ATOM 57 C PRO A 5 -15.371 -11.009 3.853 1.00 1.49 C ATOM 58 O PRO A 5 -15.999 -10.108 3.290 1.00 1.85 O ATOM 59 CB PRO A 5 -17.632 -12.069 4.576 1.00 1.91 C ATOM 60 CG PRO A 5 -18.129 -12.198 6.020 1.00 2.71 C ATOM 61 CD PRO A 5 -17.045 -11.455 6.796 1.00 1.73 C ATOM 0 HA PRO A 5 -15.722 -13.025 4.327 1.00 1.49 H new ATOM 0 HB2 PRO A 5 -17.992 -11.151 4.112 1.00 1.91 H new ATOM 0 HB3 PRO A 5 -17.983 -12.896 3.959 1.00 1.91 H new ATOM 0 HG2 PRO A 5 -19.111 -11.745 6.156 1.00 2.71 H new ATOM 0 HG3 PRO A 5 -18.213 -13.239 6.331 1.00 2.71 H new ATOM 0 HD2 PRO A 5 -17.205 -10.377 6.777 1.00 1.73 H new ATOM 0 HD3 PRO A 5 -17.024 -11.755 7.844 1.00 1.73 H new ATOM 69 N LEU A 6 -14.038 -11.073 3.837 1.00 1.26 N ATOM 70 CA LEU A 6 -13.136 -10.134 3.180 1.00 1.32 C ATOM 71 C LEU A 6 -12.746 -10.611 1.779 1.00 1.32 C ATOM 72 O LEU A 6 -13.271 -11.605 1.278 1.00 1.77 O ATOM 73 CB LEU A 6 -11.954 -9.756 4.091 1.00 1.37 C ATOM 74 CG LEU A 6 -10.966 -10.852 4.524 1.00 1.30 C ATOM 75 CD1 LEU A 6 -10.297 -11.603 3.367 1.00 2.08 C ATOM 76 CD2 LEU A 6 -9.860 -10.168 5.338 1.00 2.17 C ATOM 0 H LEU A 6 -13.535 -11.824 4.309 1.00 1.26 H new ATOM 0 HA LEU A 6 -13.669 -9.198 3.013 1.00 1.32 H new ATOM 0 HB2 LEU A 6 -11.382 -8.980 3.583 1.00 1.37 H new ATOM 0 HB3 LEU A 6 -12.366 -9.308 4.995 1.00 1.37 H new ATOM 0 HG LEU A 6 -11.536 -11.593 5.084 1.00 1.30 H new ATOM 0 HD11 LEU A 6 -9.618 -12.356 3.766 1.00 2.08 H new ATOM 0 HD12 LEU A 6 -11.060 -12.089 2.759 1.00 2.08 H new ATOM 0 HD13 LEU A 6 -9.737 -10.899 2.752 1.00 2.08 H new ATOM 0 HD21 LEU A 6 -9.135 -10.913 5.666 1.00 2.17 H new ATOM 0 HD22 LEU A 6 -9.360 -9.424 4.719 1.00 2.17 H new ATOM 0 HD23 LEU A 6 -10.298 -9.680 6.209 1.00 2.17 H new ATOM 88 N THR A 7 -11.911 -9.836 1.087 1.00 1.00 N ATOM 89 CA THR A 7 -11.459 -10.107 -0.268 1.00 0.97 C ATOM 90 C THR A 7 -9.992 -9.670 -0.380 1.00 0.93 C ATOM 91 O THR A 7 -9.508 -8.939 0.485 1.00 0.96 O ATOM 92 CB THR A 7 -12.405 -9.355 -1.217 1.00 1.08 C ATOM 93 OG1 THR A 7 -13.738 -9.732 -0.923 1.00 1.54 O ATOM 94 CG2 THR A 7 -12.145 -9.655 -2.692 1.00 1.26 C ATOM 0 H THR A 7 -11.521 -8.975 1.471 1.00 1.00 H new ATOM 0 HA THR A 7 -11.491 -11.164 -0.534 1.00 0.97 H new ATOM 0 HB THR A 7 -12.231 -8.290 -1.060 1.00 1.08 H new ATOM 0 HG1 THR A 7 -14.352 -9.257 -1.521 1.00 1.54 H new ATOM 0 HG21 THR A 7 -12.847 -9.092 -3.307 1.00 1.26 H new ATOM 0 HG22 THR A 7 -11.126 -9.366 -2.948 1.00 1.26 H new ATOM 0 HG23 THR A 7 -12.276 -10.721 -2.875 1.00 1.26 H new ATOM 102 N GLU A 8 -9.286 -10.108 -1.424 1.00 0.94 N ATOM 103 CA GLU A 8 -7.867 -9.850 -1.652 1.00 0.95 C ATOM 104 C GLU A 8 -7.472 -8.399 -1.363 1.00 0.94 C ATOM 105 O GLU A 8 -6.416 -8.145 -0.793 1.00 0.93 O ATOM 106 CB GLU A 8 -7.476 -10.221 -3.094 1.00 1.01 C ATOM 107 CG GLU A 8 -7.767 -11.684 -3.465 1.00 1.12 C ATOM 108 CD GLU A 8 -9.167 -11.881 -4.030 1.00 2.01 C ATOM 109 OE1 GLU A 8 -10.097 -11.960 -3.198 1.00 3.07 O ATOM 110 OE2 GLU A 8 -9.288 -11.906 -5.272 1.00 2.54 O ATOM 0 H GLU A 8 -9.706 -10.674 -2.161 1.00 0.94 H new ATOM 0 HA GLU A 8 -7.321 -10.479 -0.949 1.00 0.95 H new ATOM 0 HB2 GLU A 8 -8.012 -9.569 -3.784 1.00 1.01 H new ATOM 0 HB3 GLU A 8 -6.412 -10.027 -3.232 1.00 1.01 H new ATOM 0 HG2 GLU A 8 -7.034 -12.021 -4.197 1.00 1.12 H new ATOM 0 HG3 GLU A 8 -7.645 -12.310 -2.581 1.00 1.12 H new ATOM 117 N LEU A 9 -8.298 -7.428 -1.762 1.00 0.99 N ATOM 118 CA LEU A 9 -7.974 -6.026 -1.571 1.00 1.00 C ATOM 119 C LEU A 9 -7.930 -5.703 -0.073 1.00 0.99 C ATOM 120 O LEU A 9 -6.896 -5.242 0.408 1.00 1.00 O ATOM 121 CB LEU A 9 -8.988 -5.168 -2.328 1.00 1.05 C ATOM 122 CG LEU A 9 -8.782 -5.110 -3.857 1.00 0.97 C ATOM 123 CD1 LEU A 9 -7.553 -4.276 -4.228 1.00 1.88 C ATOM 124 CD2 LEU A 9 -8.691 -6.480 -4.543 1.00 1.66 C ATOM 0 H LEU A 9 -9.195 -7.595 -2.219 1.00 0.99 H new ATOM 0 HA LEU A 9 -6.986 -5.803 -1.974 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -9.988 -5.551 -2.126 1.00 1.05 H new ATOM 0 HB3 LEU A 9 -8.949 -4.153 -1.933 1.00 1.05 H new ATOM 0 HG LEU A 9 -9.687 -4.631 -4.231 1.00 0.97 H new ATOM 0 HD11 LEU A 9 -7.440 -4.258 -5.312 1.00 1.88 H new ATOM 0 HD12 LEU A 9 -7.679 -3.258 -3.859 1.00 1.88 H new ATOM 0 HD13 LEU A 9 -6.664 -4.718 -3.778 1.00 1.88 H new ATOM 0 HD21 LEU A 9 -8.547 -6.342 -5.614 1.00 1.66 H new ATOM 0 HD22 LEU A 9 -7.849 -7.037 -4.132 1.00 1.66 H new ATOM 0 HD23 LEU A 9 -9.613 -7.035 -4.370 1.00 1.66 H new ATOM 136 N GLU A 10 -9.018 -5.979 0.662 1.00 0.99 N ATOM 137 CA GLU A 10 -9.030 -5.925 2.129 1.00 0.96 C ATOM 138 C GLU A 10 -7.781 -6.601 2.691 1.00 0.81 C ATOM 139 O GLU A 10 -7.083 -6.020 3.520 1.00 0.82 O ATOM 140 CB GLU A 10 -10.270 -6.620 2.702 1.00 1.09 C ATOM 141 CG GLU A 10 -11.546 -5.810 2.520 1.00 1.69 C ATOM 142 CD GLU A 10 -11.911 -4.902 3.693 1.00 2.27 C ATOM 143 OE1 GLU A 10 -10.978 -4.393 4.347 1.00 2.68 O ATOM 144 OE2 GLU A 10 -13.133 -4.695 3.881 1.00 3.42 O ATOM 0 H GLU A 10 -9.914 -6.246 0.254 1.00 0.99 H new ATOM 0 HA GLU A 10 -9.049 -4.874 2.419 1.00 0.96 H new ATOM 0 HB2 GLU A 10 -10.391 -7.590 2.220 1.00 1.09 H new ATOM 0 HB3 GLU A 10 -10.115 -6.809 3.764 1.00 1.09 H new ATOM 0 HG2 GLU A 10 -11.444 -5.197 1.624 1.00 1.69 H new ATOM 0 HG3 GLU A 10 -12.372 -6.498 2.343 1.00 1.69 H new ATOM 151 N GLU A 11 -7.491 -7.818 2.219 1.00 0.78 N ATOM 152 CA GLU A 11 -6.322 -8.558 2.676 1.00 0.78 C ATOM 153 C GLU A 11 -5.040 -7.726 2.493 1.00 0.79 C ATOM 154 O GLU A 11 -4.264 -7.551 3.435 1.00 0.84 O ATOM 155 CB GLU A 11 -6.271 -9.930 1.989 1.00 0.90 C ATOM 156 CG GLU A 11 -5.425 -10.938 2.774 1.00 1.00 C ATOM 157 CD GLU A 11 -5.568 -12.336 2.188 1.00 2.07 C ATOM 158 OE1 GLU A 11 -6.619 -12.955 2.463 1.00 3.13 O ATOM 159 OE2 GLU A 11 -4.638 -12.750 1.464 1.00 3.03 O ATOM 0 H GLU A 11 -8.052 -8.307 1.521 1.00 0.78 H new ATOM 0 HA GLU A 11 -6.400 -8.746 3.747 1.00 0.78 H new ATOM 0 HB2 GLU A 11 -7.284 -10.317 1.878 1.00 0.90 H new ATOM 0 HB3 GLU A 11 -5.861 -9.817 0.985 1.00 0.90 H new ATOM 0 HG2 GLU A 11 -4.378 -10.635 2.753 1.00 1.00 H new ATOM 0 HG3 GLU A 11 -5.734 -10.943 3.819 1.00 1.00 H new ATOM 166 N SER A 12 -4.830 -7.147 1.305 1.00 0.84 N ATOM 167 CA SER A 12 -3.696 -6.268 1.056 1.00 1.02 C ATOM 168 C SER A 12 -3.669 -5.108 2.056 1.00 1.02 C ATOM 169 O SER A 12 -2.593 -4.726 2.518 1.00 1.14 O ATOM 170 CB SER A 12 -3.723 -5.736 -0.380 1.00 1.19 C ATOM 171 OG SER A 12 -3.709 -6.790 -1.325 1.00 2.06 O ATOM 0 H SER A 12 -5.440 -7.277 0.498 1.00 0.84 H new ATOM 0 HA SER A 12 -2.786 -6.853 1.189 1.00 1.02 H new ATOM 0 HB2 SER A 12 -4.615 -5.127 -0.526 1.00 1.19 H new ATOM 0 HB3 SER A 12 -2.863 -5.087 -0.545 1.00 1.19 H new ATOM 0 HG SER A 12 -4.551 -7.288 -1.272 1.00 2.06 H new ATOM 177 N ILE A 13 -4.832 -4.533 2.391 1.00 0.92 N ATOM 178 CA ILE A 13 -4.876 -3.465 3.384 1.00 0.81 C ATOM 179 C ILE A 13 -4.389 -4.007 4.730 1.00 0.57 C ATOM 180 O ILE A 13 -3.460 -3.454 5.323 1.00 0.59 O ATOM 181 CB ILE A 13 -6.273 -2.827 3.547 1.00 0.96 C ATOM 182 CG1 ILE A 13 -7.059 -2.575 2.251 1.00 1.76 C ATOM 183 CG2 ILE A 13 -6.153 -1.500 4.312 1.00 0.63 C ATOM 184 CD1 ILE A 13 -6.275 -1.958 1.092 1.00 0.72 C ATOM 0 H ILE A 13 -5.737 -4.787 1.994 1.00 0.92 H new ATOM 0 HA ILE A 13 -4.220 -2.672 3.025 1.00 0.81 H new ATOM 0 HB ILE A 13 -6.846 -3.575 4.096 1.00 0.96 H new ATOM 0 HG12 ILE A 13 -7.477 -3.524 1.915 1.00 1.76 H new ATOM 0 HG13 ILE A 13 -7.899 -1.921 2.482 1.00 1.76 H new ATOM 0 HG21 ILE A 13 -7.141 -1.054 4.424 1.00 0.63 H new ATOM 0 HG22 ILE A 13 -5.725 -1.685 5.297 1.00 0.63 H new ATOM 0 HG23 ILE A 13 -5.508 -0.818 3.758 1.00 0.63 H new ATOM 0 HD11 ILE A 13 -6.935 -1.828 0.234 1.00 0.72 H new ATOM 0 HD12 ILE A 13 -5.879 -0.989 1.395 1.00 0.72 H new ATOM 0 HD13 ILE A 13 -5.451 -2.617 0.819 1.00 0.72 H new ATOM 196 N GLU A 14 -5.041 -5.067 5.226 1.00 0.51 N ATOM 197 CA GLU A 14 -4.805 -5.560 6.575 1.00 0.53 C ATOM 198 C GLU A 14 -3.328 -5.939 6.741 1.00 0.61 C ATOM 199 O GLU A 14 -2.710 -5.601 7.747 1.00 0.68 O ATOM 200 CB GLU A 14 -5.833 -6.629 6.987 1.00 0.67 C ATOM 201 CG GLU A 14 -5.533 -8.089 6.616 1.00 1.42 C ATOM 202 CD GLU A 14 -4.903 -8.863 7.772 1.00 2.54 C ATOM 203 OE1 GLU A 14 -3.829 -8.429 8.240 1.00 3.81 O ATOM 204 OE2 GLU A 14 -5.531 -9.856 8.206 1.00 3.18 O ATOM 0 H GLU A 14 -5.739 -5.597 4.704 1.00 0.51 H new ATOM 0 HA GLU A 14 -4.980 -4.766 7.301 1.00 0.53 H new ATOM 0 HB2 GLU A 14 -5.956 -6.576 8.069 1.00 0.67 H new ATOM 0 HB3 GLU A 14 -6.792 -6.361 6.544 1.00 0.67 H new ATOM 0 HG2 GLU A 14 -6.457 -8.582 6.313 1.00 1.42 H new ATOM 0 HG3 GLU A 14 -4.862 -8.113 5.757 1.00 1.42 H new ATOM 211 N THR A 15 -2.739 -6.521 5.692 1.00 0.69 N ATOM 212 CA THR A 15 -1.328 -6.891 5.640 1.00 0.86 C ATOM 213 C THR A 15 -0.421 -5.758 6.137 1.00 0.69 C ATOM 214 O THR A 15 0.450 -6.000 6.968 1.00 0.84 O ATOM 215 CB THR A 15 -0.938 -7.357 4.226 1.00 1.15 C ATOM 216 OG1 THR A 15 -1.717 -8.473 3.853 1.00 1.39 O ATOM 217 CG2 THR A 15 0.529 -7.796 4.152 1.00 1.38 C ATOM 0 H THR A 15 -3.245 -6.752 4.837 1.00 0.69 H new ATOM 0 HA THR A 15 -1.180 -7.730 6.320 1.00 0.86 H new ATOM 0 HB THR A 15 -1.104 -6.509 3.562 1.00 1.15 H new ATOM 0 HG1 THR A 15 -2.621 -8.177 3.617 1.00 1.39 H new ATOM 0 HG21 THR A 15 0.762 -8.117 3.137 1.00 1.38 H new ATOM 0 HG22 THR A 15 1.173 -6.960 4.425 1.00 1.38 H new ATOM 0 HG23 THR A 15 0.696 -8.623 4.842 1.00 1.38 H new ATOM 225 N VAL A 16 -0.606 -4.517 5.670 1.00 0.57 N ATOM 226 CA VAL A 16 0.244 -3.413 6.097 1.00 0.52 C ATOM 227 C VAL A 16 0.146 -3.230 7.610 1.00 0.58 C ATOM 228 O VAL A 16 1.142 -3.171 8.327 1.00 0.67 O ATOM 229 CB VAL A 16 -0.187 -2.116 5.395 1.00 0.73 C ATOM 230 CG1 VAL A 16 0.519 -0.926 6.047 1.00 0.81 C ATOM 231 CG2 VAL A 16 0.150 -2.159 3.903 1.00 0.99 C ATOM 0 H VAL A 16 -1.332 -4.259 5.002 1.00 0.57 H new ATOM 0 HA VAL A 16 1.275 -3.642 5.829 1.00 0.52 H new ATOM 0 HB VAL A 16 -1.267 -2.010 5.498 1.00 0.73 H new ATOM 0 HG11 VAL A 16 0.214 -0.005 5.550 1.00 0.81 H new ATOM 0 HG12 VAL A 16 0.249 -0.876 7.102 1.00 0.81 H new ATOM 0 HG13 VAL A 16 1.598 -1.048 5.955 1.00 0.81 H new ATOM 0 HG21 VAL A 16 -0.166 -1.228 3.432 1.00 0.99 H new ATOM 0 HG22 VAL A 16 1.226 -2.283 3.776 1.00 0.99 H new ATOM 0 HG23 VAL A 16 -0.369 -2.996 3.437 1.00 0.99 H new ATOM 241 N VAL A 17 -1.084 -3.067 8.082 1.00 0.67 N ATOM 242 CA VAL A 17 -1.354 -2.694 9.457 1.00 0.85 C ATOM 243 C VAL A 17 -0.983 -3.845 10.409 1.00 0.96 C ATOM 244 O VAL A 17 -0.531 -3.605 11.528 1.00 1.21 O ATOM 245 CB VAL A 17 -2.788 -2.142 9.558 1.00 0.83 C ATOM 246 CG1 VAL A 17 -2.888 -0.850 8.732 1.00 0.97 C ATOM 247 CG2 VAL A 17 -3.860 -3.122 9.067 1.00 0.61 C ATOM 0 H VAL A 17 -1.923 -3.191 7.516 1.00 0.67 H new ATOM 0 HA VAL A 17 -0.716 -1.876 9.791 1.00 0.85 H new ATOM 0 HB VAL A 17 -2.979 -1.962 10.616 1.00 0.83 H new ATOM 0 HG11 VAL A 17 -3.901 -0.453 8.799 1.00 0.97 H new ATOM 0 HG12 VAL A 17 -2.184 -0.114 9.120 1.00 0.97 H new ATOM 0 HG13 VAL A 17 -2.650 -1.065 7.690 1.00 0.97 H new ATOM 0 HG21 VAL A 17 -4.844 -2.665 9.168 1.00 0.61 H new ATOM 0 HG22 VAL A 17 -3.679 -3.365 8.020 1.00 0.61 H new ATOM 0 HG23 VAL A 17 -3.820 -4.034 9.663 1.00 0.61 H new ATOM 257 N THR A 18 -1.074 -5.087 9.928 1.00 0.93 N ATOM 258 CA THR A 18 -0.455 -6.258 10.529 1.00 1.29 C ATOM 259 C THR A 18 1.063 -6.059 10.611 1.00 1.20 C ATOM 260 O THR A 18 1.634 -6.115 11.703 1.00 1.27 O ATOM 261 CB THR A 18 -0.866 -7.505 9.721 1.00 1.61 C ATOM 262 OG1 THR A 18 -2.114 -7.956 10.206 1.00 2.11 O ATOM 263 CG2 THR A 18 0.156 -8.643 9.781 1.00 1.53 C ATOM 0 H THR A 18 -1.599 -5.306 9.081 1.00 0.93 H new ATOM 0 HA THR A 18 -0.800 -6.404 11.553 1.00 1.29 H new ATOM 0 HB THR A 18 -0.925 -7.212 8.673 1.00 1.61 H new ATOM 0 HG1 THR A 18 -2.792 -7.860 9.505 1.00 2.11 H new ATOM 0 HG21 THR A 18 -0.202 -9.485 9.189 1.00 1.53 H new ATOM 0 HG22 THR A 18 1.109 -8.298 9.381 1.00 1.53 H new ATOM 0 HG23 THR A 18 0.290 -8.958 10.816 1.00 1.53 H new ATOM 271 N THR A 19 1.717 -5.813 9.469 1.00 1.10 N ATOM 272 CA THR A 19 3.160 -5.644 9.387 1.00 1.07 C ATOM 273 C THR A 19 3.627 -4.602 10.410 1.00 0.96 C ATOM 274 O THR A 19 4.603 -4.817 11.124 1.00 1.04 O ATOM 275 CB THR A 19 3.576 -5.325 7.939 1.00 1.04 C ATOM 276 OG1 THR A 19 3.592 -6.512 7.172 1.00 1.65 O ATOM 277 CG2 THR A 19 4.948 -4.648 7.859 1.00 1.17 C ATOM 0 H THR A 19 1.246 -5.726 8.568 1.00 1.10 H new ATOM 0 HA THR A 19 3.663 -6.575 9.649 1.00 1.07 H new ATOM 0 HB THR A 19 2.841 -4.626 7.540 1.00 1.04 H new ATOM 0 HG1 THR A 19 4.097 -6.361 6.346 1.00 1.65 H new ATOM 0 HG21 THR A 19 5.193 -4.445 6.817 1.00 1.17 H new ATOM 0 HG22 THR A 19 4.924 -3.711 8.415 1.00 1.17 H new ATOM 0 HG23 THR A 19 5.704 -5.306 8.288 1.00 1.17 H new ATOM 285 N PHE A 20 2.904 -3.485 10.520 1.00 0.88 N ATOM 286 CA PHE A 20 3.203 -2.444 11.496 1.00 0.90 C ATOM 287 C PHE A 20 3.277 -2.984 12.928 1.00 1.02 C ATOM 288 O PHE A 20 4.061 -2.477 13.725 1.00 1.05 O ATOM 289 CB PHE A 20 2.154 -1.329 11.427 1.00 0.97 C ATOM 290 CG PHE A 20 2.177 -0.410 10.219 1.00 0.85 C ATOM 291 CD1 PHE A 20 3.058 -0.604 9.137 1.00 1.94 C ATOM 292 CD2 PHE A 20 1.416 0.770 10.282 1.00 1.51 C ATOM 293 CE1 PHE A 20 3.214 0.397 8.164 1.00 1.73 C ATOM 294 CE2 PHE A 20 1.622 1.793 9.348 1.00 1.69 C ATOM 295 CZ PHE A 20 2.508 1.606 8.276 1.00 0.72 C ATOM 0 H PHE A 20 2.095 -3.280 9.933 1.00 0.88 H new ATOM 0 HA PHE A 20 4.186 -2.048 11.239 1.00 0.90 H new ATOM 0 HB2 PHE A 20 1.169 -1.792 11.477 1.00 0.97 H new ATOM 0 HB3 PHE A 20 2.261 -0.712 12.319 1.00 0.97 H new ATOM 0 HD1 PHE A 20 3.615 -1.525 9.055 1.00 1.94 H new ATOM 0 HD2 PHE A 20 0.670 0.888 11.054 1.00 1.51 H new ATOM 0 HE1 PHE A 20 3.878 0.237 7.328 1.00 1.73 H new ATOM 0 HE2 PHE A 20 1.096 2.731 9.453 1.00 1.69 H new ATOM 0 HZ PHE A 20 2.646 2.386 7.542 1.00 0.72 H new ATOM 305 N PHE A 21 2.453 -3.974 13.287 1.00 1.17 N ATOM 306 CA PHE A 21 2.495 -4.548 14.625 1.00 1.30 C ATOM 307 C PHE A 21 3.757 -5.402 14.783 1.00 1.33 C ATOM 308 O PHE A 21 4.502 -5.227 15.743 1.00 1.47 O ATOM 309 CB PHE A 21 1.210 -5.338 14.916 1.00 1.46 C ATOM 310 CG PHE A 21 0.986 -5.816 16.349 1.00 1.81 C ATOM 311 CD1 PHE A 21 1.743 -5.326 17.437 1.00 2.65 C ATOM 312 CD2 PHE A 21 -0.028 -6.762 16.590 1.00 2.77 C ATOM 313 CE1 PHE A 21 1.490 -5.787 18.741 1.00 3.22 C ATOM 314 CE2 PHE A 21 -0.272 -7.233 17.893 1.00 3.23 C ATOM 315 CZ PHE A 21 0.491 -6.749 18.969 1.00 3.08 C ATOM 0 H PHE A 21 1.755 -4.389 12.670 1.00 1.17 H new ATOM 0 HA PHE A 21 2.544 -3.748 15.364 1.00 1.30 H new ATOM 0 HB2 PHE A 21 0.361 -4.716 14.632 1.00 1.46 H new ATOM 0 HB3 PHE A 21 1.197 -6.211 14.264 1.00 1.46 H new ATOM 0 HD1 PHE A 21 2.519 -4.594 17.266 1.00 2.65 H new ATOM 0 HD2 PHE A 21 -0.624 -7.129 15.768 1.00 2.77 H new ATOM 0 HE1 PHE A 21 2.065 -5.401 19.570 1.00 3.22 H new ATOM 0 HE2 PHE A 21 -1.046 -7.966 18.066 1.00 3.23 H new ATOM 0 HZ PHE A 21 0.310 -7.115 19.969 1.00 3.08 H new ATOM 325 N THR A 22 4.028 -6.304 13.836 1.00 1.38 N ATOM 326 CA THR A 22 5.250 -7.111 13.857 1.00 1.67 C ATOM 327 C THR A 22 6.388 -6.308 13.215 1.00 1.90 C ATOM 328 O THR A 22 6.977 -6.718 12.221 1.00 2.38 O ATOM 329 CB THR A 22 4.997 -8.505 13.239 1.00 2.22 C ATOM 330 OG1 THR A 22 6.187 -9.253 13.047 1.00 3.94 O ATOM 331 CG2 THR A 22 4.174 -8.445 11.954 1.00 2.62 C ATOM 0 H THR A 22 3.415 -6.494 13.043 1.00 1.38 H new ATOM 0 HA THR A 22 5.564 -7.323 14.879 1.00 1.67 H new ATOM 0 HB THR A 22 4.401 -9.037 13.981 1.00 2.22 H new ATOM 0 HG1 THR A 22 6.488 -9.156 12.119 1.00 3.94 H new ATOM 0 HG21 THR A 22 4.029 -9.454 11.567 1.00 2.62 H new ATOM 0 HG22 THR A 22 3.204 -7.994 12.164 1.00 2.62 H new ATOM 0 HG23 THR A 22 4.700 -7.844 11.212 1.00 2.62 H new ATOM 339 N PHE A 23 6.714 -5.150 13.803 1.00 2.16 N ATOM 340 CA PHE A 23 7.798 -4.310 13.301 1.00 2.63 C ATOM 341 C PHE A 23 9.138 -4.786 13.872 1.00 2.93 C ATOM 342 O PHE A 23 10.075 -5.042 13.120 1.00 3.85 O ATOM 343 CB PHE A 23 7.526 -2.818 13.560 1.00 3.18 C ATOM 344 CG PHE A 23 7.653 -2.364 15.001 1.00 3.64 C ATOM 345 CD1 PHE A 23 6.652 -2.690 15.933 1.00 4.53 C ATOM 346 CD2 PHE A 23 8.848 -1.765 15.448 1.00 4.34 C ATOM 347 CE1 PHE A 23 6.898 -2.554 17.307 1.00 5.87 C ATOM 348 CE2 PHE A 23 9.059 -1.552 16.821 1.00 5.34 C ATOM 349 CZ PHE A 23 8.097 -1.974 17.753 1.00 6.08 C ATOM 0 H PHE A 23 6.240 -4.777 14.626 1.00 2.16 H new ATOM 0 HA PHE A 23 7.853 -4.413 12.217 1.00 2.63 H new ATOM 0 HB2 PHE A 23 8.215 -2.232 12.952 1.00 3.18 H new ATOM 0 HB3 PHE A 23 6.519 -2.586 13.213 1.00 3.18 H new ATOM 0 HD1 PHE A 23 5.692 -3.046 15.590 1.00 4.53 H new ATOM 0 HD2 PHE A 23 9.603 -1.469 14.734 1.00 4.34 H new ATOM 0 HE1 PHE A 23 6.165 -2.896 18.023 1.00 5.87 H new ATOM 0 HE2 PHE A 23 9.961 -1.064 17.159 1.00 5.34 H new ATOM 0 HZ PHE A 23 8.279 -1.853 18.811 1.00 6.08 H new ATOM 359 N ALA A 24 9.229 -4.903 15.201 1.00 2.81 N ATOM 360 CA ALA A 24 10.422 -5.316 15.928 1.00 3.19 C ATOM 361 C ALA A 24 10.039 -5.474 17.400 1.00 3.31 C ATOM 362 O ALA A 24 10.081 -4.504 18.152 1.00 3.84 O ATOM 363 CB ALA A 24 11.554 -4.292 15.764 1.00 3.91 C ATOM 0 H ALA A 24 8.441 -4.704 15.818 1.00 2.81 H new ATOM 0 HA ALA A 24 10.792 -6.261 15.530 1.00 3.19 H new ATOM 0 HB1 ALA A 24 12.431 -4.627 16.318 1.00 3.91 H new ATOM 0 HB2 ALA A 24 11.807 -4.195 14.708 1.00 3.91 H new ATOM 0 HB3 ALA A 24 11.229 -3.326 16.150 1.00 3.91 H new ATOM 369 N ARG A 25 9.653 -6.694 17.790 1.00 3.31 N ATOM 370 CA ARG A 25 8.898 -6.996 19.007 1.00 3.70 C ATOM 371 C ARG A 25 7.438 -6.578 18.810 1.00 3.61 C ATOM 372 O ARG A 25 7.107 -5.878 17.856 1.00 4.07 O ATOM 373 CB ARG A 25 9.476 -6.352 20.285 1.00 4.65 C ATOM 374 CG ARG A 25 10.973 -6.599 20.523 1.00 5.45 C ATOM 375 CD ARG A 25 11.261 -8.057 20.908 1.00 5.89 C ATOM 376 NE ARG A 25 12.667 -8.248 21.307 1.00 6.78 N ATOM 377 CZ ARG A 25 13.193 -7.909 22.498 1.00 7.72 C ATOM 378 NH1 ARG A 25 12.430 -7.312 23.421 1.00 8.09 N ATOM 379 NH2 ARG A 25 14.480 -8.165 22.760 1.00 8.69 N ATOM 0 H ARG A 25 9.867 -7.529 17.244 1.00 3.31 H new ATOM 0 HA ARG A 25 8.974 -8.072 19.165 1.00 3.70 H new ATOM 0 HB2 ARG A 25 9.304 -5.277 20.240 1.00 4.65 H new ATOM 0 HB3 ARG A 25 8.921 -6.728 21.145 1.00 4.65 H new ATOM 0 HG2 ARG A 25 11.530 -6.345 19.621 1.00 5.45 H new ATOM 0 HG3 ARG A 25 11.328 -5.938 21.314 1.00 5.45 H new ATOM 0 HD2 ARG A 25 10.607 -8.353 21.728 1.00 5.89 H new ATOM 0 HD3 ARG A 25 11.030 -8.708 20.065 1.00 5.89 H new ATOM 0 HE ARG A 25 13.293 -8.673 20.623 1.00 6.78 H new ATOM 0 HH11 ARG A 25 11.449 -7.114 23.222 1.00 8.09 H new ATOM 0 HH12 ARG A 25 12.829 -7.055 24.324 1.00 8.09 H new ATOM 0 HH21 ARG A 25 15.063 -8.618 22.056 1.00 8.69 H new ATOM 0 HH22 ARG A 25 14.878 -7.907 23.663 1.00 8.69 H new ATOM 393 N GLN A 26 6.568 -7.019 19.724 1.00 4.15 N ATOM 394 CA GLN A 26 5.164 -6.639 19.759 1.00 4.78 C ATOM 395 C GLN A 26 4.907 -5.845 21.039 1.00 4.58 C ATOM 396 O GLN A 26 4.065 -6.219 21.852 1.00 5.56 O ATOM 397 CB GLN A 26 4.294 -7.901 19.677 1.00 6.50 C ATOM 398 CG GLN A 26 4.452 -8.589 18.317 1.00 7.32 C ATOM 399 CD GLN A 26 3.456 -9.731 18.166 1.00 9.35 C ATOM 400 OE1 GLN A 26 3.808 -10.896 18.306 1.00 10.31 O ATOM 401 NE2 GLN A 26 2.196 -9.409 17.888 1.00 10.40 N ATOM 0 H GLN A 26 6.831 -7.662 20.471 1.00 4.15 H new ATOM 0 HA GLN A 26 4.907 -6.008 18.908 1.00 4.78 H new ATOM 0 HB2 GLN A 26 4.573 -8.592 20.473 1.00 6.50 H new ATOM 0 HB3 GLN A 26 3.248 -7.637 19.836 1.00 6.50 H new ATOM 0 HG2 GLN A 26 4.302 -7.863 17.518 1.00 7.32 H new ATOM 0 HG3 GLN A 26 5.468 -8.971 18.214 1.00 7.32 H new ATOM 0 HE21 GLN A 26 1.932 -8.430 17.777 1.00 10.40 H new ATOM 0 HE22 GLN A 26 1.493 -10.141 17.786 1.00 10.40 H new ATOM 410 N GLU A 27 5.628 -4.734 21.195 1.00 3.80 N ATOM 411 CA GLU A 27 5.403 -3.733 22.222 1.00 3.97 C ATOM 412 C GLU A 27 5.768 -2.398 21.581 1.00 3.56 C ATOM 413 O GLU A 27 6.700 -2.352 20.776 1.00 3.82 O ATOM 414 CB GLU A 27 6.249 -4.039 23.468 1.00 4.80 C ATOM 415 CG GLU A 27 6.123 -2.965 24.563 1.00 5.56 C ATOM 416 CD GLU A 27 4.679 -2.736 24.996 1.00 6.62 C ATOM 417 OE1 GLU A 27 3.994 -1.966 24.285 1.00 6.96 O ATOM 418 OE2 GLU A 27 4.287 -3.345 26.013 1.00 7.67 O ATOM 0 H GLU A 27 6.412 -4.504 20.584 1.00 3.80 H new ATOM 0 HA GLU A 27 4.370 -3.718 22.569 1.00 3.97 H new ATOM 0 HB2 GLU A 27 5.947 -5.003 23.877 1.00 4.80 H new ATOM 0 HB3 GLU A 27 7.295 -4.130 23.176 1.00 4.80 H new ATOM 0 HG2 GLU A 27 6.715 -3.262 25.428 1.00 5.56 H new ATOM 0 HG3 GLU A 27 6.542 -2.028 24.197 1.00 5.56 H new ATOM 425 N GLY A 28 5.011 -1.348 21.897 1.00 3.77 N ATOM 426 CA GLY A 28 5.045 -0.080 21.195 1.00 3.77 C ATOM 427 C GLY A 28 4.467 -0.225 19.784 1.00 2.95 C ATOM 428 O GLY A 28 4.738 -1.192 19.081 1.00 3.36 O ATOM 0 H GLY A 28 4.343 -1.363 22.668 1.00 3.77 H new ATOM 0 HA2 GLY A 28 4.476 0.664 21.752 1.00 3.77 H new ATOM 0 HA3 GLY A 28 6.072 0.282 21.137 1.00 3.77 H new ATOM 432 N ARG A 29 3.639 0.729 19.355 1.00 2.57 N ATOM 433 CA ARG A 29 3.242 0.856 17.958 1.00 1.96 C ATOM 434 C ARG A 29 2.790 2.294 17.712 1.00 1.64 C ATOM 435 O ARG A 29 1.631 2.639 17.933 1.00 1.74 O ATOM 436 CB ARG A 29 2.228 -0.223 17.533 1.00 2.29 C ATOM 437 CG ARG A 29 1.035 -0.382 18.484 1.00 3.63 C ATOM 438 CD ARG A 29 0.327 -1.713 18.200 1.00 4.53 C ATOM 439 NE ARG A 29 -0.810 -1.928 19.110 1.00 5.61 N ATOM 440 CZ ARG A 29 -1.502 -3.075 19.213 1.00 6.70 C ATOM 441 NH1 ARG A 29 -1.180 -4.123 18.448 1.00 7.05 N ATOM 442 NH2 ARG A 29 -2.515 -3.170 20.082 1.00 7.85 N ATOM 0 H ARG A 29 3.227 1.433 19.968 1.00 2.57 H new ATOM 0 HA ARG A 29 4.094 0.664 17.306 1.00 1.96 H new ATOM 0 HB2 ARG A 29 1.854 0.019 16.538 1.00 2.29 H new ATOM 0 HB3 ARG A 29 2.745 -1.179 17.455 1.00 2.29 H new ATOM 0 HG2 ARG A 29 1.375 -0.353 19.519 1.00 3.63 H new ATOM 0 HG3 ARG A 29 0.339 0.447 18.353 1.00 3.63 H new ATOM 0 HD2 ARG A 29 -0.025 -1.726 17.168 1.00 4.53 H new ATOM 0 HD3 ARG A 29 1.037 -2.533 18.305 1.00 4.53 H new ATOM 0 HE ARG A 29 -1.093 -1.150 19.706 1.00 5.61 H new ATOM 0 HH11 ARG A 29 -0.408 -4.052 17.785 1.00 7.05 H new ATOM 0 HH12 ARG A 29 -1.706 -4.993 18.527 1.00 7.05 H new ATOM 0 HH21 ARG A 29 -2.762 -2.371 20.667 1.00 7.85 H new ATOM 0 HH22 ARG A 29 -3.040 -4.041 20.160 1.00 7.85 H new ATOM 456 N LYS A 30 3.717 3.139 17.260 1.00 1.67 N ATOM 457 CA LYS A 30 3.529 4.567 16.988 1.00 1.87 C ATOM 458 C LYS A 30 2.759 4.752 15.666 1.00 1.76 C ATOM 459 O LYS A 30 3.121 5.570 14.824 1.00 3.38 O ATOM 460 CB LYS A 30 4.925 5.242 16.989 1.00 2.32 C ATOM 461 CG LYS A 30 5.122 6.342 18.047 1.00 2.94 C ATOM 462 CD LYS A 30 4.905 7.763 17.504 1.00 3.50 C ATOM 463 CE LYS A 30 3.429 8.081 17.225 1.00 4.09 C ATOM 464 NZ LYS A 30 3.246 9.447 16.694 1.00 5.43 N ATOM 0 H LYS A 30 4.669 2.831 17.063 1.00 1.67 H new ATOM 0 HA LYS A 30 2.923 5.047 17.757 1.00 1.87 H new ATOM 0 HB2 LYS A 30 5.682 4.473 17.143 1.00 2.32 H new ATOM 0 HB3 LYS A 30 5.103 5.672 16.004 1.00 2.32 H new ATOM 0 HG2 LYS A 30 4.432 6.168 18.873 1.00 2.94 H new ATOM 0 HG3 LYS A 30 6.131 6.267 18.453 1.00 2.94 H new ATOM 0 HD2 LYS A 30 5.297 8.484 18.222 1.00 3.50 H new ATOM 0 HD3 LYS A 30 5.477 7.886 16.584 1.00 3.50 H new ATOM 0 HE2 LYS A 30 3.032 7.359 16.512 1.00 4.09 H new ATOM 0 HE3 LYS A 30 2.855 7.970 18.145 1.00 4.09 H new ATOM 0 HZ1 LYS A 30 2.256 9.739 16.820 1.00 5.43 H new ATOM 0 HZ2 LYS A 30 3.869 10.105 17.206 1.00 5.43 H new ATOM 0 HZ3 LYS A 30 3.485 9.461 15.682 1.00 5.43 H new ATOM 478 N ASP A 31 1.689 3.973 15.488 1.00 1.28 N ATOM 479 CA ASP A 31 1.130 3.575 14.204 1.00 1.45 C ATOM 480 C ASP A 31 2.200 2.945 13.304 1.00 1.60 C ATOM 481 O ASP A 31 2.151 1.739 13.081 1.00 2.12 O ATOM 482 CB ASP A 31 0.340 4.699 13.528 1.00 1.75 C ATOM 483 CG ASP A 31 -0.498 4.121 12.400 1.00 2.56 C ATOM 484 OD1 ASP A 31 -1.559 3.540 12.726 1.00 3.49 O ATOM 485 OD2 ASP A 31 -0.080 4.251 11.231 1.00 3.39 O ATOM 0 H ASP A 31 1.168 3.587 16.276 1.00 1.28 H new ATOM 0 HA ASP A 31 0.392 2.796 14.395 1.00 1.45 H new ATOM 0 HB2 ASP A 31 -0.303 5.195 14.256 1.00 1.75 H new ATOM 0 HB3 ASP A 31 1.022 5.454 13.138 1.00 1.75 H new ATOM 490 N SER A 32 3.174 3.733 12.839 1.00 1.41 N ATOM 491 CA SER A 32 4.337 3.268 12.092 1.00 1.40 C ATOM 492 C SER A 32 5.632 3.700 12.801 1.00 1.37 C ATOM 493 O SER A 32 5.663 3.806 14.026 1.00 1.46 O ATOM 494 CB SER A 32 4.245 3.793 10.655 1.00 1.44 C ATOM 495 OG SER A 32 5.124 3.093 9.796 1.00 1.91 O ATOM 0 H SER A 32 3.171 4.743 12.979 1.00 1.41 H new ATOM 0 HA SER A 32 4.355 2.179 12.051 1.00 1.40 H new ATOM 0 HB2 SER A 32 3.222 3.692 10.293 1.00 1.44 H new ATOM 0 HB3 SER A 32 4.486 4.856 10.638 1.00 1.44 H new ATOM 0 HG SER A 32 4.604 2.539 9.177 1.00 1.91 H new ATOM 501 N LEU A 33 6.700 3.905 12.022 1.00 1.33 N ATOM 502 CA LEU A 33 8.058 4.177 12.486 1.00 1.34 C ATOM 503 C LEU A 33 8.390 5.667 12.297 1.00 1.29 C ATOM 504 O LEU A 33 7.491 6.493 12.124 1.00 1.39 O ATOM 505 CB LEU A 33 9.049 3.286 11.705 1.00 1.40 C ATOM 506 CG LEU A 33 8.836 1.767 11.757 1.00 1.44 C ATOM 507 CD1 LEU A 33 8.611 1.248 13.181 1.00 1.73 C ATOM 508 CD2 LEU A 33 7.726 1.309 10.814 1.00 1.44 C ATOM 0 H LEU A 33 6.634 3.884 11.004 1.00 1.33 H new ATOM 0 HA LEU A 33 8.139 3.946 13.548 1.00 1.34 H new ATOM 0 HB2 LEU A 33 9.023 3.593 10.659 1.00 1.40 H new ATOM 0 HB3 LEU A 33 10.053 3.497 12.075 1.00 1.40 H new ATOM 0 HG LEU A 33 9.767 1.322 11.405 1.00 1.44 H new ATOM 0 HD11 LEU A 33 8.466 0.168 13.156 1.00 1.73 H new ATOM 0 HD12 LEU A 33 9.480 1.484 13.796 1.00 1.73 H new ATOM 0 HD13 LEU A 33 7.727 1.723 13.606 1.00 1.73 H new ATOM 0 HD21 LEU A 33 7.611 0.227 10.885 1.00 1.44 H new ATOM 0 HD22 LEU A 33 6.789 1.792 11.093 1.00 1.44 H new ATOM 0 HD23 LEU A 33 7.984 1.580 9.790 1.00 1.44 H new ATOM 520 N SER A 34 9.681 6.015 12.299 1.00 1.23 N ATOM 521 CA SER A 34 10.159 7.339 11.905 1.00 1.17 C ATOM 522 C SER A 34 10.347 7.388 10.383 1.00 1.06 C ATOM 523 O SER A 34 10.361 6.345 9.732 1.00 1.05 O ATOM 524 CB SER A 34 11.434 7.724 12.669 1.00 1.21 C ATOM 525 OG SER A 34 11.413 7.187 13.977 1.00 2.05 O ATOM 0 H SER A 34 10.428 5.378 12.577 1.00 1.23 H new ATOM 0 HA SER A 34 9.410 8.084 12.174 1.00 1.17 H new ATOM 0 HB2 SER A 34 12.310 7.357 12.134 1.00 1.21 H new ATOM 0 HB3 SER A 34 11.522 8.809 12.717 1.00 1.21 H new ATOM 0 HG SER A 34 11.597 6.225 13.939 1.00 2.05 H new ATOM 531 N VAL A 35 10.484 8.576 9.783 1.00 1.02 N ATOM 532 CA VAL A 35 10.491 8.691 8.322 1.00 0.94 C ATOM 533 C VAL A 35 11.834 8.219 7.746 1.00 0.81 C ATOM 534 O VAL A 35 11.896 7.375 6.849 1.00 0.74 O ATOM 535 CB VAL A 35 10.185 10.131 7.883 1.00 1.04 C ATOM 536 CG1 VAL A 35 9.729 10.137 6.423 1.00 1.22 C ATOM 537 CG2 VAL A 35 9.068 10.792 8.702 1.00 1.19 C ATOM 0 H VAL A 35 10.590 9.460 10.280 1.00 1.02 H new ATOM 0 HA VAL A 35 9.706 8.045 7.929 1.00 0.94 H new ATOM 0 HB VAL A 35 11.107 10.692 8.034 1.00 1.04 H new ATOM 0 HG11 VAL A 35 9.512 11.160 6.114 1.00 1.22 H new ATOM 0 HG12 VAL A 35 10.519 9.727 5.793 1.00 1.22 H new ATOM 0 HG13 VAL A 35 8.830 9.529 6.320 1.00 1.22 H new ATOM 0 HG21 VAL A 35 8.903 11.807 8.340 1.00 1.19 H new ATOM 0 HG22 VAL A 35 8.149 10.215 8.596 1.00 1.19 H new ATOM 0 HG23 VAL A 35 9.357 10.824 9.752 1.00 1.19 H new ATOM 547 N ASN A 36 12.925 8.783 8.269 1.00 0.85 N ATOM 548 CA ASN A 36 14.286 8.367 7.933 1.00 0.87 C ATOM 549 C ASN A 36 14.428 6.858 8.171 1.00 0.79 C ATOM 550 O ASN A 36 14.828 6.111 7.281 1.00 0.73 O ATOM 551 CB ASN A 36 15.348 9.112 8.773 1.00 1.17 C ATOM 552 CG ASN A 36 14.896 9.500 10.188 1.00 3.50 C ATOM 553 OD1 ASN A 36 14.126 8.783 10.821 1.00 5.04 O ATOM 554 ND2 ASN A 36 15.319 10.659 10.681 1.00 4.15 N ATOM 0 H ASN A 36 12.887 9.548 8.943 1.00 0.85 H new ATOM 0 HA ASN A 36 14.457 8.612 6.885 1.00 0.87 H new ATOM 0 HB2 ASN A 36 16.235 8.484 8.850 1.00 1.17 H new ATOM 0 HB3 ASN A 36 15.643 10.016 8.241 1.00 1.17 H new ATOM 0 HD21 ASN A 36 15.004 10.967 11.601 1.00 4.15 H new ATOM 0 HD22 ASN A 36 15.959 11.240 10.140 1.00 4.15 H new ATOM 561 N GLU A 37 14.080 6.431 9.389 1.00 0.86 N ATOM 562 CA GLU A 37 14.047 5.045 9.824 1.00 0.87 C ATOM 563 C GLU A 37 13.343 4.202 8.764 1.00 0.77 C ATOM 564 O GLU A 37 13.945 3.298 8.198 1.00 0.73 O ATOM 565 CB GLU A 37 13.337 4.990 11.182 1.00 1.03 C ATOM 566 CG GLU A 37 13.261 3.600 11.821 1.00 1.49 C ATOM 567 CD GLU A 37 12.484 3.635 13.134 1.00 2.43 C ATOM 568 OE1 GLU A 37 11.768 4.641 13.350 1.00 3.39 O ATOM 569 OE2 GLU A 37 12.588 2.641 13.881 1.00 3.56 O ATOM 0 H GLU A 37 13.802 7.078 10.127 1.00 0.86 H new ATOM 0 HA GLU A 37 15.051 4.638 9.944 1.00 0.87 H new ATOM 0 HB2 GLU A 37 13.851 5.661 11.870 1.00 1.03 H new ATOM 0 HB3 GLU A 37 12.324 5.373 11.060 1.00 1.03 H new ATOM 0 HG2 GLU A 37 12.782 2.906 11.131 1.00 1.49 H new ATOM 0 HG3 GLU A 37 14.268 3.225 12.002 1.00 1.49 H new ATOM 576 N PHE A 38 12.086 4.536 8.457 1.00 0.80 N ATOM 577 CA PHE A 38 11.321 3.907 7.392 1.00 0.74 C ATOM 578 C PHE A 38 12.171 3.735 6.131 1.00 0.64 C ATOM 579 O PHE A 38 12.316 2.608 5.670 1.00 0.66 O ATOM 580 CB PHE A 38 10.024 4.686 7.142 1.00 0.77 C ATOM 581 CG PHE A 38 9.422 4.508 5.764 1.00 0.72 C ATOM 582 CD1 PHE A 38 8.603 3.401 5.489 1.00 1.75 C ATOM 583 CD2 PHE A 38 9.739 5.419 4.737 1.00 1.57 C ATOM 584 CE1 PHE A 38 8.078 3.224 4.198 1.00 1.69 C ATOM 585 CE2 PHE A 38 9.267 5.202 3.433 1.00 1.76 C ATOM 586 CZ PHE A 38 8.413 4.120 3.168 1.00 0.98 C ATOM 0 H PHE A 38 11.569 5.263 8.953 1.00 0.80 H new ATOM 0 HA PHE A 38 11.035 2.902 7.701 1.00 0.74 H new ATOM 0 HB2 PHE A 38 9.287 4.382 7.885 1.00 0.77 H new ATOM 0 HB3 PHE A 38 10.219 5.746 7.302 1.00 0.77 H new ATOM 0 HD1 PHE A 38 8.377 2.688 6.268 1.00 1.75 H new ATOM 0 HD2 PHE A 38 10.346 6.286 4.953 1.00 1.57 H new ATOM 0 HE1 PHE A 38 7.414 2.396 3.996 1.00 1.69 H new ATOM 0 HE2 PHE A 38 9.561 5.867 2.634 1.00 1.76 H new ATOM 0 HZ PHE A 38 8.014 3.976 2.175 1.00 0.98 H new ATOM 596 N LYS A 39 12.763 4.809 5.596 1.00 0.61 N ATOM 597 CA LYS A 39 13.622 4.717 4.414 1.00 0.59 C ATOM 598 C LYS A 39 14.702 3.636 4.600 1.00 0.62 C ATOM 599 O LYS A 39 14.859 2.757 3.745 1.00 0.68 O ATOM 600 CB LYS A 39 14.154 6.115 4.032 1.00 0.69 C ATOM 601 CG LYS A 39 15.252 6.160 2.948 1.00 0.93 C ATOM 602 CD LYS A 39 16.639 5.865 3.537 1.00 1.77 C ATOM 603 CE LYS A 39 17.786 6.639 2.870 1.00 2.37 C ATOM 604 NZ LYS A 39 19.104 6.309 3.466 1.00 3.36 N ATOM 0 H LYS A 39 12.661 5.754 5.966 1.00 0.61 H new ATOM 0 HA LYS A 39 13.042 4.381 3.555 1.00 0.59 H new ATOM 0 HB2 LYS A 39 13.313 6.719 3.691 1.00 0.69 H new ATOM 0 HB3 LYS A 39 14.544 6.590 4.932 1.00 0.69 H new ATOM 0 HG2 LYS A 39 15.025 5.433 2.169 1.00 0.93 H new ATOM 0 HG3 LYS A 39 15.258 7.142 2.476 1.00 0.93 H new ATOM 0 HD2 LYS A 39 16.627 6.102 4.601 1.00 1.77 H new ATOM 0 HD3 LYS A 39 16.838 4.797 3.450 1.00 1.77 H new ATOM 0 HE2 LYS A 39 17.804 6.412 1.804 1.00 2.37 H new ATOM 0 HE3 LYS A 39 17.604 7.709 2.965 1.00 2.37 H new ATOM 0 HZ1 LYS A 39 19.812 7.001 3.148 1.00 3.36 H new ATOM 0 HZ2 LYS A 39 19.033 6.338 4.503 1.00 3.36 H new ATOM 0 HZ3 LYS A 39 19.392 5.356 3.165 1.00 3.36 H new ATOM 618 N GLU A 40 15.447 3.686 5.707 1.00 0.67 N ATOM 619 CA GLU A 40 16.556 2.760 5.944 1.00 0.76 C ATOM 620 C GLU A 40 16.095 1.335 6.277 1.00 0.87 C ATOM 621 O GLU A 40 16.834 0.381 6.047 1.00 1.22 O ATOM 622 CB GLU A 40 17.565 3.358 6.938 1.00 0.91 C ATOM 623 CG GLU A 40 17.985 4.724 6.375 1.00 0.91 C ATOM 624 CD GLU A 40 19.365 5.223 6.755 1.00 1.49 C ATOM 625 OE1 GLU A 40 19.881 4.815 7.812 1.00 2.21 O ATOM 626 OE2 GLU A 40 19.865 6.012 5.917 1.00 2.91 O ATOM 0 H GLU A 40 15.301 4.362 6.457 1.00 0.67 H new ATOM 0 HA GLU A 40 17.094 2.636 5.004 1.00 0.76 H new ATOM 0 HB2 GLU A 40 17.116 3.468 7.925 1.00 0.91 H new ATOM 0 HB3 GLU A 40 18.430 2.704 7.052 1.00 0.91 H new ATOM 0 HG2 GLU A 40 17.928 4.676 5.288 1.00 0.91 H new ATOM 0 HG3 GLU A 40 17.254 5.465 6.699 1.00 0.91 H new ATOM 633 N LEU A 41 14.861 1.164 6.749 1.00 0.72 N ATOM 634 CA LEU A 41 14.247 -0.147 6.903 1.00 0.83 C ATOM 635 C LEU A 41 13.820 -0.682 5.531 1.00 0.81 C ATOM 636 O LEU A 41 14.237 -1.770 5.140 1.00 0.95 O ATOM 637 CB LEU A 41 13.080 -0.071 7.905 1.00 0.94 C ATOM 638 CG LEU A 41 13.481 -0.304 9.378 1.00 1.15 C ATOM 639 CD1 LEU A 41 13.643 -1.798 9.676 1.00 2.53 C ATOM 640 CD2 LEU A 41 14.748 0.437 9.827 1.00 2.36 C ATOM 0 H LEU A 41 14.259 1.936 7.036 1.00 0.72 H new ATOM 0 HA LEU A 41 14.969 -0.853 7.314 1.00 0.83 H new ATOM 0 HB2 LEU A 41 12.609 0.909 7.821 1.00 0.94 H new ATOM 0 HB3 LEU A 41 12.329 -0.810 7.625 1.00 0.94 H new ATOM 0 HG LEU A 41 12.655 0.116 9.952 1.00 1.15 H new ATOM 0 HD11 LEU A 41 13.926 -1.932 10.720 1.00 2.53 H new ATOM 0 HD12 LEU A 41 12.700 -2.311 9.486 1.00 2.53 H new ATOM 0 HD13 LEU A 41 14.419 -2.215 9.034 1.00 2.53 H new ATOM 0 HD21 LEU A 41 14.949 0.212 10.874 1.00 2.36 H new ATOM 0 HD22 LEU A 41 15.593 0.115 9.218 1.00 2.36 H new ATOM 0 HD23 LEU A 41 14.603 1.511 9.708 1.00 2.36 H new ATOM 652 N VAL A 42 12.995 0.049 4.774 1.00 0.70 N ATOM 653 CA VAL A 42 12.473 -0.456 3.506 1.00 0.68 C ATOM 654 C VAL A 42 13.588 -0.737 2.502 1.00 0.65 C ATOM 655 O VAL A 42 13.516 -1.738 1.793 1.00 0.75 O ATOM 656 CB VAL A 42 11.334 0.398 2.920 1.00 0.67 C ATOM 657 CG1 VAL A 42 10.176 0.502 3.916 1.00 1.57 C ATOM 658 CG2 VAL A 42 11.778 1.779 2.432 1.00 1.26 C ATOM 0 H VAL A 42 12.677 0.987 5.018 1.00 0.70 H new ATOM 0 HA VAL A 42 12.007 -1.415 3.734 1.00 0.68 H new ATOM 0 HB VAL A 42 10.991 -0.123 2.026 1.00 0.67 H new ATOM 0 HG11 VAL A 42 9.379 1.109 3.486 1.00 1.57 H new ATOM 0 HG12 VAL A 42 9.794 -0.495 4.135 1.00 1.57 H new ATOM 0 HG13 VAL A 42 10.529 0.966 4.837 1.00 1.57 H new ATOM 0 HG21 VAL A 42 10.918 2.318 2.034 1.00 1.26 H new ATOM 0 HG22 VAL A 42 12.204 2.339 3.264 1.00 1.26 H new ATOM 0 HG23 VAL A 42 12.528 1.665 1.650 1.00 1.26 H new ATOM 668 N THR A 43 14.646 0.079 2.459 1.00 0.63 N ATOM 669 CA THR A 43 15.763 -0.238 1.570 1.00 0.70 C ATOM 670 C THR A 43 16.386 -1.603 1.898 1.00 0.83 C ATOM 671 O THR A 43 17.027 -2.187 1.027 1.00 1.15 O ATOM 672 CB THR A 43 16.811 0.884 1.540 1.00 0.75 C ATOM 673 OG1 THR A 43 17.640 0.731 0.407 1.00 1.23 O ATOM 674 CG2 THR A 43 17.691 0.889 2.790 1.00 0.99 C ATOM 0 H THR A 43 14.751 0.932 3.008 1.00 0.63 H new ATOM 0 HA THR A 43 15.355 -0.312 0.562 1.00 0.70 H new ATOM 0 HB THR A 43 16.268 1.828 1.501 1.00 0.75 H new ATOM 0 HG1 THR A 43 18.307 1.449 0.390 1.00 1.23 H new ATOM 0 HG21 THR A 43 18.416 1.700 2.721 1.00 0.99 H new ATOM 0 HG22 THR A 43 17.068 1.033 3.673 1.00 0.99 H new ATOM 0 HG23 THR A 43 18.217 -0.062 2.868 1.00 0.99 H new ATOM 682 N GLN A 44 16.229 -2.100 3.133 1.00 0.81 N ATOM 683 CA GLN A 44 16.570 -3.471 3.476 1.00 1.04 C ATOM 684 C GLN A 44 15.424 -4.378 3.024 1.00 1.10 C ATOM 685 O GLN A 44 15.645 -5.310 2.255 1.00 1.46 O ATOM 686 CB GLN A 44 16.845 -3.587 4.986 1.00 1.23 C ATOM 687 CG GLN A 44 17.763 -4.764 5.349 1.00 2.13 C ATOM 688 CD GLN A 44 17.284 -6.134 4.864 1.00 4.01 C ATOM 689 OE1 GLN A 44 18.042 -6.866 4.237 1.00 5.35 O ATOM 690 NE2 GLN A 44 16.038 -6.508 5.147 1.00 4.93 N ATOM 0 H GLN A 44 15.862 -1.557 3.915 1.00 0.81 H new ATOM 0 HA GLN A 44 17.482 -3.782 2.967 1.00 1.04 H new ATOM 0 HB2 GLN A 44 17.298 -2.660 5.338 1.00 1.23 H new ATOM 0 HB3 GLN A 44 15.897 -3.699 5.513 1.00 1.23 H new ATOM 0 HG2 GLN A 44 18.753 -4.574 4.933 1.00 2.13 H new ATOM 0 HG3 GLN A 44 17.873 -4.798 6.433 1.00 2.13 H new ATOM 0 HE21 GLN A 44 15.424 -5.883 5.670 1.00 4.93 H new ATOM 0 HE22 GLN A 44 15.697 -7.419 4.841 1.00 4.93 H new ATOM 699 N GLN A 45 14.206 -4.112 3.518 1.00 0.88 N ATOM 700 CA GLN A 45 13.076 -5.028 3.365 1.00 0.86 C ATOM 701 C GLN A 45 12.800 -5.353 1.901 1.00 0.90 C ATOM 702 O GLN A 45 12.310 -6.443 1.615 1.00 1.02 O ATOM 703 CB GLN A 45 11.780 -4.499 3.999 1.00 0.80 C ATOM 704 CG GLN A 45 11.758 -4.002 5.457 1.00 1.00 C ATOM 705 CD GLN A 45 12.782 -4.549 6.457 1.00 1.09 C ATOM 706 OE1 GLN A 45 13.808 -5.128 6.119 1.00 2.50 O ATOM 707 NE2 GLN A 45 12.508 -4.360 7.744 1.00 1.62 N ATOM 0 H GLN A 45 13.981 -3.260 4.031 1.00 0.88 H new ATOM 0 HA GLN A 45 13.377 -5.932 3.894 1.00 0.86 H new ATOM 0 HB2 GLN A 45 11.432 -3.676 3.375 1.00 0.80 H new ATOM 0 HB3 GLN A 45 11.038 -5.294 3.921 1.00 0.80 H new ATOM 0 HG2 GLN A 45 11.871 -2.918 5.434 1.00 1.00 H new ATOM 0 HG3 GLN A 45 10.766 -4.211 5.858 1.00 1.00 H new ATOM 0 HE21 GLN A 45 11.652 -3.877 8.018 1.00 1.62 H new ATOM 0 HE22 GLN A 45 13.154 -4.698 8.458 1.00 1.62 H new ATOM 716 N LEU A 46 13.085 -4.409 0.998 1.00 0.89 N ATOM 717 CA LEU A 46 13.131 -4.636 -0.436 1.00 0.92 C ATOM 718 C LEU A 46 14.574 -4.925 -0.865 1.00 0.90 C ATOM 719 O LEU A 46 15.230 -4.026 -1.386 1.00 1.03 O ATOM 720 CB LEU A 46 12.617 -3.392 -1.185 1.00 0.96 C ATOM 721 CG LEU A 46 11.134 -3.076 -0.945 1.00 1.06 C ATOM 722 CD1 LEU A 46 10.921 -1.967 0.085 1.00 1.26 C ATOM 723 CD2 LEU A 46 10.472 -2.689 -2.272 1.00 1.61 C ATOM 0 H LEU A 46 13.294 -3.445 1.258 1.00 0.89 H new ATOM 0 HA LEU A 46 12.497 -5.489 -0.679 1.00 0.92 H new ATOM 0 HB2 LEU A 46 13.213 -2.530 -0.885 1.00 0.96 H new ATOM 0 HB3 LEU A 46 12.778 -3.534 -2.254 1.00 0.96 H new ATOM 0 HG LEU A 46 10.674 -3.977 -0.539 1.00 1.06 H new ATOM 0 HD11 LEU A 46 9.853 -1.788 0.212 1.00 1.26 H new ATOM 0 HD12 LEU A 46 11.354 -2.268 1.039 1.00 1.26 H new ATOM 0 HD13 LEU A 46 11.403 -1.052 -0.260 1.00 1.26 H new ATOM 0 HD21 LEU A 46 9.419 -2.465 -2.102 1.00 1.61 H new ATOM 0 HD22 LEU A 46 10.968 -1.810 -2.683 1.00 1.61 H new ATOM 0 HD23 LEU A 46 10.557 -3.517 -2.976 1.00 1.61 H new ATOM 735 N PRO A 47 15.091 -6.159 -0.773 1.00 0.96 N ATOM 736 CA PRO A 47 16.425 -6.490 -1.264 1.00 1.00 C ATOM 737 C PRO A 47 16.393 -6.680 -2.790 1.00 1.00 C ATOM 738 O PRO A 47 17.045 -7.575 -3.324 1.00 1.21 O ATOM 739 CB PRO A 47 16.765 -7.797 -0.540 1.00 1.30 C ATOM 740 CG PRO A 47 15.402 -8.487 -0.549 1.00 1.46 C ATOM 741 CD PRO A 47 14.461 -7.339 -0.211 1.00 1.20 C ATOM 0 HA PRO A 47 17.165 -5.712 -1.074 1.00 1.00 H new ATOM 0 HB2 PRO A 47 17.525 -8.375 -1.065 1.00 1.30 H new ATOM 0 HB3 PRO A 47 17.136 -7.626 0.471 1.00 1.30 H new ATOM 0 HG2 PRO A 47 15.175 -8.928 -1.520 1.00 1.46 H new ATOM 0 HG3 PRO A 47 15.347 -9.290 0.187 1.00 1.46 H new ATOM 0 HD2 PRO A 47 13.472 -7.500 -0.640 1.00 1.20 H new ATOM 0 HD3 PRO A 47 14.329 -7.241 0.867 1.00 1.20 H new ATOM 749 N HIS A 48 15.598 -5.873 -3.495 1.00 1.19 N ATOM 750 CA HIS A 48 15.361 -6.011 -4.919 1.00 1.40 C ATOM 751 C HIS A 48 16.530 -5.382 -5.699 1.00 1.38 C ATOM 752 O HIS A 48 17.611 -5.174 -5.156 1.00 2.33 O ATOM 753 CB HIS A 48 14.005 -5.382 -5.254 1.00 1.76 C ATOM 754 CG HIS A 48 12.787 -6.020 -4.626 1.00 2.30 C ATOM 755 ND1 HIS A 48 12.659 -7.265 -4.030 1.00 3.00 N ATOM 756 CD2 HIS A 48 11.530 -5.492 -4.729 1.00 3.51 C ATOM 757 CE1 HIS A 48 11.353 -7.457 -3.779 1.00 4.41 C ATOM 758 NE2 HIS A 48 10.622 -6.409 -4.200 1.00 4.68 N ATOM 0 H HIS A 48 15.094 -5.091 -3.076 1.00 1.19 H new ATOM 0 HA HIS A 48 15.318 -7.060 -5.213 1.00 1.40 H new ATOM 0 HB2 HIS A 48 14.033 -4.334 -4.955 1.00 1.76 H new ATOM 0 HB3 HIS A 48 13.879 -5.401 -6.337 1.00 1.76 H new ATOM 0 HD1 HIS A 48 13.416 -7.915 -3.821 1.00 3.00 H new ATOM 0 HD2 HIS A 48 11.282 -4.528 -5.149 1.00 3.51 H new ATOM 0 HE1 HIS A 48 10.944 -8.336 -3.303 1.00 4.41 H new ATOM 766 N LEU A 49 16.329 -5.063 -6.983 1.00 1.57 N ATOM 767 CA LEU A 49 17.350 -4.414 -7.802 1.00 1.58 C ATOM 768 C LEU A 49 17.659 -3.002 -7.275 1.00 1.52 C ATOM 769 O LEU A 49 18.821 -2.623 -7.181 1.00 1.61 O ATOM 770 CB LEU A 49 16.883 -4.395 -9.269 1.00 1.64 C ATOM 771 CG LEU A 49 18.019 -4.457 -10.307 1.00 1.93 C ATOM 772 CD1 LEU A 49 17.400 -4.509 -11.708 1.00 3.06 C ATOM 773 CD2 LEU A 49 18.981 -3.266 -10.236 1.00 3.00 C ATOM 0 H LEU A 49 15.457 -5.248 -7.478 1.00 1.57 H new ATOM 0 HA LEU A 49 18.281 -4.978 -7.744 1.00 1.58 H new ATOM 0 HB2 LEU A 49 16.212 -5.238 -9.434 1.00 1.64 H new ATOM 0 HB3 LEU A 49 16.302 -3.488 -9.440 1.00 1.64 H new ATOM 0 HG LEU A 49 18.604 -5.350 -10.086 1.00 1.93 H new ATOM 0 HD11 LEU A 49 18.193 -4.553 -12.455 1.00 3.06 H new ATOM 0 HD12 LEU A 49 16.770 -5.394 -11.795 1.00 3.06 H new ATOM 0 HD13 LEU A 49 16.796 -3.617 -11.872 1.00 3.06 H new ATOM 0 HD21 LEU A 49 19.755 -3.377 -10.996 1.00 3.00 H new ATOM 0 HD22 LEU A 49 18.430 -2.342 -10.412 1.00 3.00 H new ATOM 0 HD23 LEU A 49 19.444 -3.230 -9.250 1.00 3.00 H new ATOM 785 N LEU A 50 16.614 -2.224 -6.963 1.00 1.47 N ATOM 786 CA LEU A 50 16.703 -0.805 -6.609 1.00 1.58 C ATOM 787 C LEU A 50 17.270 -0.024 -7.802 1.00 1.73 C ATOM 788 O LEU A 50 18.336 0.585 -7.755 1.00 1.99 O ATOM 789 CB LEU A 50 17.445 -0.555 -5.278 1.00 1.79 C ATOM 790 CG LEU A 50 16.604 -0.784 -4.006 1.00 1.88 C ATOM 791 CD1 LEU A 50 15.593 0.342 -3.757 1.00 2.99 C ATOM 792 CD2 LEU A 50 15.872 -2.126 -3.992 1.00 2.27 C ATOM 0 H LEU A 50 15.657 -2.577 -6.950 1.00 1.47 H new ATOM 0 HA LEU A 50 15.700 -0.427 -6.409 1.00 1.58 H new ATOM 0 HB2 LEU A 50 18.318 -1.206 -5.239 1.00 1.79 H new ATOM 0 HB3 LEU A 50 17.812 0.471 -5.272 1.00 1.79 H new ATOM 0 HG LEU A 50 17.336 -0.790 -3.199 1.00 1.88 H new ATOM 0 HD11 LEU A 50 15.028 0.130 -2.849 1.00 2.99 H new ATOM 0 HD12 LEU A 50 16.123 1.288 -3.642 1.00 2.99 H new ATOM 0 HD13 LEU A 50 14.909 0.410 -4.603 1.00 2.99 H new ATOM 0 HD21 LEU A 50 15.301 -2.219 -3.068 1.00 2.27 H new ATOM 0 HD22 LEU A 50 15.195 -2.180 -4.844 1.00 2.27 H new ATOM 0 HD23 LEU A 50 16.598 -2.937 -4.053 1.00 2.27 H new ATOM 804 N LYS A 51 16.525 -0.096 -8.907 1.00 1.65 N ATOM 805 CA LYS A 51 16.828 0.557 -10.176 1.00 1.86 C ATOM 806 C LYS A 51 16.600 2.077 -10.113 1.00 1.85 C ATOM 807 O LYS A 51 17.241 2.824 -10.845 1.00 2.12 O ATOM 808 CB LYS A 51 15.971 -0.106 -11.265 1.00 1.88 C ATOM 809 CG LYS A 51 14.470 0.175 -11.077 1.00 1.66 C ATOM 810 CD LYS A 51 14.031 1.410 -11.879 1.00 1.85 C ATOM 811 CE LYS A 51 13.505 0.994 -13.257 1.00 2.18 C ATOM 812 NZ LYS A 51 13.192 2.164 -14.101 1.00 3.60 N ATOM 0 H LYS A 51 15.659 -0.634 -8.940 1.00 1.65 H new ATOM 0 HA LYS A 51 17.885 0.431 -10.410 1.00 1.86 H new ATOM 0 HB2 LYS A 51 16.287 0.256 -12.243 1.00 1.88 H new ATOM 0 HB3 LYS A 51 16.141 -1.183 -11.253 1.00 1.88 H new ATOM 0 HG2 LYS A 51 13.892 -0.693 -11.395 1.00 1.66 H new ATOM 0 HG3 LYS A 51 14.256 0.330 -10.020 1.00 1.66 H new ATOM 0 HD2 LYS A 51 13.255 1.948 -11.334 1.00 1.85 H new ATOM 0 HD3 LYS A 51 14.872 2.094 -11.995 1.00 1.85 H new ATOM 0 HE2 LYS A 51 14.248 0.373 -13.757 1.00 2.18 H new ATOM 0 HE3 LYS A 51 12.610 0.384 -13.135 1.00 2.18 H new ATOM 0 HZ1 LYS A 51 12.871 1.842 -15.036 1.00 3.60 H new ATOM 0 HZ2 LYS A 51 12.440 2.725 -13.652 1.00 3.60 H new ATOM 0 HZ3 LYS A 51 14.044 2.751 -14.210 1.00 3.60 H new ATOM 826 N ASP A 52 15.629 2.495 -9.295 1.00 1.59 N ATOM 827 CA ASP A 52 15.469 3.820 -8.722 1.00 1.53 C ATOM 828 C ASP A 52 15.525 4.995 -9.699 1.00 1.64 C ATOM 829 O ASP A 52 16.574 5.588 -9.937 1.00 2.04 O ATOM 830 CB ASP A 52 16.410 3.943 -7.524 1.00 1.92 C ATOM 831 CG ASP A 52 15.998 3.003 -6.392 1.00 1.92 C ATOM 832 OD1 ASP A 52 15.331 1.985 -6.703 1.00 2.66 O ATOM 833 OD2 ASP A 52 16.352 3.321 -5.238 1.00 2.35 O ATOM 0 H ASP A 52 14.884 1.864 -8.999 1.00 1.59 H new ATOM 0 HA ASP A 52 14.436 3.906 -8.384 1.00 1.53 H new ATOM 0 HB2 ASP A 52 17.429 3.715 -7.835 1.00 1.92 H new ATOM 0 HB3 ASP A 52 16.409 4.972 -7.163 1.00 1.92 H new ATOM 838 N VAL A 53 14.349 5.375 -10.216 1.00 1.42 N ATOM 839 CA VAL A 53 14.174 6.595 -10.995 1.00 1.56 C ATOM 840 C VAL A 53 13.957 7.793 -10.062 1.00 1.02 C ATOM 841 O VAL A 53 13.842 7.618 -8.856 1.00 1.95 O ATOM 842 CB VAL A 53 13.032 6.440 -12.019 1.00 2.77 C ATOM 843 CG1 VAL A 53 13.238 5.182 -12.868 1.00 2.65 C ATOM 844 CG2 VAL A 53 11.644 6.400 -11.365 1.00 4.25 C ATOM 0 H VAL A 53 13.490 4.837 -10.101 1.00 1.42 H new ATOM 0 HA VAL A 53 15.084 6.781 -11.566 1.00 1.56 H new ATOM 0 HB VAL A 53 13.066 7.325 -12.654 1.00 2.77 H new ATOM 0 HG11 VAL A 53 12.422 5.089 -13.585 1.00 2.65 H new ATOM 0 HG12 VAL A 53 14.185 5.255 -13.403 1.00 2.65 H new ATOM 0 HG13 VAL A 53 13.254 4.305 -12.221 1.00 2.65 H new ATOM 0 HG21 VAL A 53 10.882 6.290 -12.136 1.00 4.25 H new ATOM 0 HG22 VAL A 53 11.590 5.556 -10.678 1.00 4.25 H new ATOM 0 HG23 VAL A 53 11.474 7.326 -10.816 1.00 4.25 H new ATOM 854 N GLY A 54 13.864 9.007 -10.616 1.00 1.11 N ATOM 855 CA GLY A 54 13.821 10.274 -9.882 1.00 1.69 C ATOM 856 C GLY A 54 12.789 10.377 -8.747 1.00 1.40 C ATOM 857 O GLY A 54 12.934 11.219 -7.865 1.00 1.43 O ATOM 0 H GLY A 54 13.815 9.137 -11.626 1.00 1.11 H new ATOM 0 HA2 GLY A 54 14.810 10.458 -9.461 1.00 1.69 H new ATOM 0 HA3 GLY A 54 13.624 11.074 -10.595 1.00 1.69 H new ATOM 861 N SER A 55 11.751 9.536 -8.730 1.00 1.30 N ATOM 862 CA SER A 55 10.847 9.480 -7.583 1.00 1.17 C ATOM 863 C SER A 55 11.598 9.071 -6.307 1.00 0.88 C ATOM 864 O SER A 55 11.257 9.530 -5.219 1.00 0.88 O ATOM 865 CB SER A 55 9.663 8.564 -7.888 1.00 1.34 C ATOM 866 OG SER A 55 8.972 9.078 -9.018 1.00 1.78 O ATOM 0 H SER A 55 11.519 8.893 -9.488 1.00 1.30 H new ATOM 0 HA SER A 55 10.447 10.477 -7.398 1.00 1.17 H new ATOM 0 HB2 SER A 55 10.010 7.550 -8.086 1.00 1.34 H new ATOM 0 HB3 SER A 55 8.995 8.510 -7.028 1.00 1.34 H new ATOM 0 HG SER A 55 8.836 8.361 -9.672 1.00 1.78 H new ATOM 872 N LEU A 56 12.662 8.271 -6.448 1.00 0.74 N ATOM 873 CA LEU A 56 13.625 8.021 -5.388 1.00 0.67 C ATOM 874 C LEU A 56 14.082 9.356 -4.825 1.00 0.77 C ATOM 875 O LEU A 56 13.925 9.589 -3.631 1.00 0.75 O ATOM 876 CB LEU A 56 14.818 7.216 -5.925 1.00 0.80 C ATOM 877 CG LEU A 56 15.905 6.856 -4.892 1.00 1.55 C ATOM 878 CD1 LEU A 56 16.783 8.020 -4.412 1.00 1.65 C ATOM 879 CD2 LEU A 56 15.332 6.083 -3.699 1.00 2.95 C ATOM 0 H LEU A 56 12.874 7.777 -7.315 1.00 0.74 H new ATOM 0 HA LEU A 56 13.161 7.432 -4.597 1.00 0.67 H new ATOM 0 HB2 LEU A 56 14.441 6.292 -6.364 1.00 0.80 H new ATOM 0 HB3 LEU A 56 15.283 7.785 -6.730 1.00 0.80 H new ATOM 0 HG LEU A 56 16.579 6.208 -5.452 1.00 1.55 H new ATOM 0 HD11 LEU A 56 17.511 7.652 -3.689 1.00 1.65 H new ATOM 0 HD12 LEU A 56 17.305 8.457 -5.263 1.00 1.65 H new ATOM 0 HD13 LEU A 56 16.157 8.779 -3.942 1.00 1.65 H new ATOM 0 HD21 LEU A 56 16.133 5.851 -2.997 1.00 2.95 H new ATOM 0 HD22 LEU A 56 14.577 6.691 -3.200 1.00 2.95 H new ATOM 0 HD23 LEU A 56 14.877 5.157 -4.050 1.00 2.95 H new ATOM 891 N ASP A 57 14.632 10.225 -5.682 1.00 1.04 N ATOM 892 CA ASP A 57 15.123 11.523 -5.256 1.00 1.34 C ATOM 893 C ASP A 57 13.995 12.301 -4.581 1.00 1.25 C ATOM 894 O ASP A 57 14.152 12.725 -3.444 1.00 1.25 O ATOM 895 CB ASP A 57 15.747 12.317 -6.415 1.00 1.77 C ATOM 896 CG ASP A 57 16.024 13.757 -5.997 1.00 2.40 C ATOM 897 OD1 ASP A 57 16.366 13.993 -4.817 1.00 3.73 O ATOM 898 OD2 ASP A 57 15.782 14.681 -6.803 1.00 2.63 O ATOM 0 H ASP A 57 14.744 10.042 -6.679 1.00 1.04 H new ATOM 0 HA ASP A 57 15.924 11.366 -4.533 1.00 1.34 H new ATOM 0 HB2 ASP A 57 16.675 11.840 -6.730 1.00 1.77 H new ATOM 0 HB3 ASP A 57 15.075 12.305 -7.273 1.00 1.77 H new ATOM 903 N GLU A 58 12.849 12.459 -5.252 1.00 1.29 N ATOM 904 CA GLU A 58 11.663 13.122 -4.700 1.00 1.37 C ATOM 905 C GLU A 58 11.396 12.671 -3.250 1.00 1.11 C ATOM 906 O GLU A 58 11.293 13.473 -2.315 1.00 1.24 O ATOM 907 CB GLU A 58 10.456 12.871 -5.624 1.00 1.53 C ATOM 908 CG GLU A 58 9.540 14.098 -5.731 1.00 2.17 C ATOM 909 CD GLU A 58 9.027 14.566 -4.377 1.00 3.53 C ATOM 910 OE1 GLU A 58 8.073 13.924 -3.883 1.00 3.93 O ATOM 911 OE2 GLU A 58 9.616 15.542 -3.866 1.00 5.08 O ATOM 0 H GLU A 58 12.718 12.125 -6.207 1.00 1.29 H new ATOM 0 HA GLU A 58 11.838 14.197 -4.658 1.00 1.37 H new ATOM 0 HB2 GLU A 58 10.812 12.598 -6.617 1.00 1.53 H new ATOM 0 HB3 GLU A 58 9.883 12.024 -5.247 1.00 1.53 H new ATOM 0 HG2 GLU A 58 10.084 14.912 -6.210 1.00 2.17 H new ATOM 0 HG3 GLU A 58 8.693 13.859 -6.374 1.00 2.17 H new ATOM 918 N LYS A 59 11.350 11.357 -3.046 1.00 0.82 N ATOM 919 CA LYS A 59 11.136 10.780 -1.735 1.00 0.69 C ATOM 920 C LYS A 59 12.300 11.131 -0.797 1.00 0.63 C ATOM 921 O LYS A 59 12.084 11.590 0.322 1.00 0.66 O ATOM 922 CB LYS A 59 10.922 9.271 -1.911 1.00 0.70 C ATOM 923 CG LYS A 59 10.057 8.664 -0.806 1.00 0.65 C ATOM 924 CD LYS A 59 9.390 7.344 -1.223 1.00 0.69 C ATOM 925 CE LYS A 59 10.286 6.214 -1.730 1.00 0.76 C ATOM 926 NZ LYS A 59 10.840 6.465 -3.081 1.00 1.08 N ATOM 0 H LYS A 59 11.461 10.668 -3.790 1.00 0.82 H new ATOM 0 HA LYS A 59 10.246 11.194 -1.260 1.00 0.69 H new ATOM 0 HB2 LYS A 59 10.453 9.085 -2.877 1.00 0.70 H new ATOM 0 HB3 LYS A 59 11.890 8.770 -1.925 1.00 0.70 H new ATOM 0 HG2 LYS A 59 10.673 8.491 0.076 1.00 0.65 H new ATOM 0 HG3 LYS A 59 9.286 9.380 -0.521 1.00 0.65 H new ATOM 0 HD2 LYS A 59 8.831 6.968 -0.366 1.00 0.69 H new ATOM 0 HD3 LYS A 59 8.663 7.569 -2.004 1.00 0.69 H new ATOM 0 HE2 LYS A 59 11.108 6.070 -1.029 1.00 0.76 H new ATOM 0 HE3 LYS A 59 9.714 5.286 -1.746 1.00 0.76 H new ATOM 0 HZ1 LYS A 59 11.220 5.579 -3.471 1.00 1.08 H new ATOM 0 HZ2 LYS A 59 10.088 6.823 -3.704 1.00 1.08 H new ATOM 0 HZ3 LYS A 59 11.602 7.170 -3.018 1.00 1.08 H new ATOM 940 N MET A 60 13.541 10.938 -1.246 1.00 0.68 N ATOM 941 CA MET A 60 14.736 11.238 -0.475 1.00 0.80 C ATOM 942 C MET A 60 14.717 12.684 0.020 1.00 0.87 C ATOM 943 O MET A 60 14.947 12.911 1.201 1.00 0.90 O ATOM 944 CB MET A 60 15.995 10.919 -1.293 1.00 1.03 C ATOM 945 CG MET A 60 17.281 11.205 -0.509 1.00 1.23 C ATOM 946 SD MET A 60 18.796 10.687 -1.352 1.00 1.90 S ATOM 947 CE MET A 60 20.025 11.295 -0.177 1.00 2.87 C ATOM 0 H MET A 60 13.741 10.562 -2.173 1.00 0.68 H new ATOM 0 HA MET A 60 14.753 10.602 0.410 1.00 0.80 H new ATOM 0 HB2 MET A 60 15.978 9.870 -1.590 1.00 1.03 H new ATOM 0 HB3 MET A 60 15.991 11.510 -2.209 1.00 1.03 H new ATOM 0 HG2 MET A 60 17.339 12.274 -0.306 1.00 1.23 H new ATOM 0 HG3 MET A 60 17.225 10.700 0.455 1.00 1.23 H new ATOM 0 HE1 MET A 60 21.025 11.059 -0.542 1.00 2.87 H new ATOM 0 HE2 MET A 60 19.923 12.375 -0.070 1.00 2.87 H new ATOM 0 HE3 MET A 60 19.870 10.818 0.791 1.00 2.87 H new ATOM 957 N LYS A 61 14.437 13.655 -0.852 1.00 0.97 N ATOM 958 CA LYS A 61 14.377 15.055 -0.453 1.00 1.11 C ATOM 959 C LYS A 61 13.216 15.273 0.523 1.00 0.97 C ATOM 960 O LYS A 61 13.379 15.919 1.554 1.00 0.99 O ATOM 961 CB LYS A 61 14.357 16.006 -1.661 1.00 1.43 C ATOM 962 CG LYS A 61 13.149 15.797 -2.580 1.00 1.46 C ATOM 963 CD LYS A 61 13.007 16.831 -3.694 1.00 1.78 C ATOM 964 CE LYS A 61 13.770 16.529 -4.996 1.00 2.25 C ATOM 965 NZ LYS A 61 15.213 16.277 -4.828 1.00 3.60 N ATOM 0 H LYS A 61 14.248 13.492 -1.841 1.00 0.97 H new ATOM 0 HA LYS A 61 15.295 15.307 0.079 1.00 1.11 H new ATOM 0 HB2 LYS A 61 14.358 17.036 -1.303 1.00 1.43 H new ATOM 0 HB3 LYS A 61 15.271 15.868 -2.238 1.00 1.43 H new ATOM 0 HG2 LYS A 61 13.219 14.806 -3.029 1.00 1.46 H new ATOM 0 HG3 LYS A 61 12.243 15.809 -1.974 1.00 1.46 H new ATOM 0 HD2 LYS A 61 11.949 16.936 -3.932 1.00 1.78 H new ATOM 0 HD3 LYS A 61 13.345 17.795 -3.313 1.00 1.78 H new ATOM 0 HE2 LYS A 61 13.317 15.659 -5.471 1.00 2.25 H new ATOM 0 HE3 LYS A 61 13.640 17.369 -5.679 1.00 2.25 H new ATOM 0 HZ1 LYS A 61 15.654 16.151 -5.761 1.00 3.60 H new ATOM 0 HZ2 LYS A 61 15.653 17.086 -4.344 1.00 3.60 H new ATOM 0 HZ3 LYS A 61 15.351 15.417 -4.260 1.00 3.60 H new ATOM 979 N SER A 62 12.046 14.701 0.231 1.00 0.93 N ATOM 980 CA SER A 62 10.938 14.709 1.183 1.00 0.96 C ATOM 981 C SER A 62 11.378 14.241 2.583 1.00 0.90 C ATOM 982 O SER A 62 10.986 14.845 3.579 1.00 1.05 O ATOM 983 CB SER A 62 9.755 13.892 0.656 1.00 1.03 C ATOM 984 OG SER A 62 9.299 14.412 -0.577 1.00 1.96 O ATOM 0 H SER A 62 11.844 14.230 -0.651 1.00 0.93 H new ATOM 0 HA SER A 62 10.605 15.742 1.290 1.00 0.96 H new ATOM 0 HB2 SER A 62 10.053 12.851 0.530 1.00 1.03 H new ATOM 0 HB3 SER A 62 8.944 13.905 1.384 1.00 1.03 H new ATOM 0 HG SER A 62 9.928 14.168 -1.288 1.00 1.96 H new ATOM 990 N LEU A 63 12.203 13.190 2.673 1.00 0.78 N ATOM 991 CA LEU A 63 12.820 12.796 3.940 1.00 0.82 C ATOM 992 C LEU A 63 13.782 13.902 4.413 1.00 0.87 C ATOM 993 O LEU A 63 13.613 14.395 5.524 1.00 0.94 O ATOM 994 CB LEU A 63 13.440 11.387 3.854 1.00 0.86 C ATOM 995 CG LEU A 63 12.425 10.225 3.749 1.00 1.23 C ATOM 996 CD1 LEU A 63 10.981 10.562 3.339 1.00 1.60 C ATOM 997 CD2 LEU A 63 12.951 9.198 2.747 1.00 1.87 C ATOM 0 H LEU A 63 12.457 12.599 1.882 1.00 0.78 H new ATOM 0 HA LEU A 63 12.058 12.704 4.714 1.00 0.82 H new ATOM 0 HB2 LEU A 63 14.100 11.351 2.987 1.00 0.86 H new ATOM 0 HB3 LEU A 63 14.061 11.227 4.735 1.00 0.86 H new ATOM 0 HG LEU A 63 12.351 9.866 4.776 1.00 1.23 H new ATOM 0 HD11 LEU A 63 10.389 9.648 3.309 1.00 1.60 H new ATOM 0 HD12 LEU A 63 10.548 11.251 4.064 1.00 1.60 H new ATOM 0 HD13 LEU A 63 10.982 11.027 2.353 1.00 1.60 H new ATOM 0 HD21 LEU A 63 12.243 8.374 2.665 1.00 1.87 H new ATOM 0 HD22 LEU A 63 13.073 9.670 1.772 1.00 1.87 H new ATOM 0 HD23 LEU A 63 13.913 8.817 3.088 1.00 1.87 H new ATOM 1009 N ASP A 64 14.740 14.330 3.579 1.00 0.89 N ATOM 1010 CA ASP A 64 15.737 15.367 3.881 1.00 0.99 C ATOM 1011 C ASP A 64 15.140 16.537 4.673 1.00 1.05 C ATOM 1012 O ASP A 64 15.657 16.912 5.726 1.00 1.17 O ATOM 1013 CB ASP A 64 16.405 15.862 2.593 1.00 1.02 C ATOM 1014 CG ASP A 64 17.544 16.826 2.890 1.00 1.22 C ATOM 1015 OD1 ASP A 64 18.678 16.329 3.054 1.00 2.25 O ATOM 1016 OD2 ASP A 64 17.261 18.042 2.913 1.00 1.93 O ATOM 0 H ASP A 64 14.846 13.949 2.639 1.00 0.89 H new ATOM 0 HA ASP A 64 16.496 14.910 4.517 1.00 0.99 H new ATOM 0 HB2 ASP A 64 16.786 15.010 2.029 1.00 1.02 H new ATOM 0 HB3 ASP A 64 15.664 16.355 1.964 1.00 1.02 H new ATOM 1021 N VAL A 65 14.017 17.068 4.175 1.00 1.01 N ATOM 1022 CA VAL A 65 13.284 18.187 4.767 1.00 1.09 C ATOM 1023 C VAL A 65 13.100 18.019 6.277 1.00 1.10 C ATOM 1024 O VAL A 65 13.585 18.834 7.055 1.00 1.26 O ATOM 1025 CB VAL A 65 11.923 18.344 4.063 1.00 1.15 C ATOM 1026 CG1 VAL A 65 10.994 19.348 4.758 1.00 1.90 C ATOM 1027 CG2 VAL A 65 12.130 18.826 2.631 1.00 1.81 C ATOM 0 H VAL A 65 13.582 16.718 3.322 1.00 1.01 H new ATOM 0 HA VAL A 65 13.873 19.092 4.621 1.00 1.09 H new ATOM 0 HB VAL A 65 11.454 17.360 4.096 1.00 1.15 H new ATOM 0 HG11 VAL A 65 10.053 19.411 4.212 1.00 1.90 H new ATOM 0 HG12 VAL A 65 10.800 19.018 5.779 1.00 1.90 H new ATOM 0 HG13 VAL A 65 11.468 20.329 4.778 1.00 1.90 H new ATOM 0 HG21 VAL A 65 11.163 18.934 2.140 1.00 1.81 H new ATOM 0 HG22 VAL A 65 12.642 19.788 2.641 1.00 1.81 H new ATOM 0 HG23 VAL A 65 12.734 18.100 2.086 1.00 1.81 H new ATOM 1037 N ASN A 66 12.329 17.005 6.679 1.00 0.99 N ATOM 1038 CA ASN A 66 12.024 16.755 8.096 1.00 1.02 C ATOM 1039 C ASN A 66 11.750 15.272 8.359 1.00 0.98 C ATOM 1040 O ASN A 66 10.713 14.896 8.912 1.00 1.00 O ATOM 1041 CB ASN A 66 10.842 17.624 8.576 1.00 1.08 C ATOM 1042 CG ASN A 66 11.231 19.063 8.906 1.00 1.44 C ATOM 1043 OD1 ASN A 66 11.980 19.309 9.844 1.00 2.31 O ATOM 1044 ND2 ASN A 66 10.683 20.037 8.185 1.00 2.08 N ATOM 0 H ASN A 66 11.900 16.337 6.039 1.00 0.99 H new ATOM 0 HA ASN A 66 12.906 17.037 8.671 1.00 1.02 H new ATOM 0 HB2 ASN A 66 10.073 17.633 7.804 1.00 1.08 H new ATOM 0 HB3 ASN A 66 10.401 17.165 9.460 1.00 1.08 H new ATOM 0 HD21 ASN A 66 10.883 21.012 8.409 1.00 2.08 H new ATOM 0 HD22 ASN A 66 10.062 19.809 7.408 1.00 2.08 H new ATOM 1051 N GLN A 67 12.722 14.418 8.040 1.00 1.00 N ATOM 1052 CA GLN A 67 12.659 12.994 8.315 1.00 1.00 C ATOM 1053 C GLN A 67 12.457 12.693 9.797 1.00 1.04 C ATOM 1054 O GLN A 67 11.983 11.619 10.161 1.00 1.11 O ATOM 1055 CB GLN A 67 13.922 12.274 7.845 1.00 1.06 C ATOM 1056 CG GLN A 67 15.251 12.856 8.379 1.00 1.18 C ATOM 1057 CD GLN A 67 15.792 14.000 7.540 1.00 1.68 C ATOM 1058 OE1 GLN A 67 16.374 13.739 6.496 1.00 2.51 O ATOM 1059 NE2 GLN A 67 15.616 15.242 7.977 1.00 2.16 N ATOM 0 H GLN A 67 13.584 14.706 7.577 1.00 1.00 H new ATOM 0 HA GLN A 67 11.795 12.628 7.760 1.00 1.00 H new ATOM 0 HB2 GLN A 67 13.856 11.228 8.144 1.00 1.06 H new ATOM 0 HB3 GLN A 67 13.948 12.294 6.755 1.00 1.06 H new ATOM 0 HG2 GLN A 67 15.101 13.205 9.401 1.00 1.18 H new ATOM 0 HG3 GLN A 67 15.996 12.062 8.419 1.00 1.18 H new ATOM 0 HE21 GLN A 67 15.124 15.409 8.855 1.00 2.16 H new ATOM 0 HE22 GLN A 67 15.973 16.029 7.435 1.00 2.16 H new ATOM 1068 N ASP A 68 12.884 13.644 10.622 1.00 1.07 N ATOM 1069 CA ASP A 68 12.886 13.625 12.067 1.00 1.11 C ATOM 1070 C ASP A 68 11.460 13.652 12.620 1.00 1.15 C ATOM 1071 O ASP A 68 11.256 13.410 13.809 1.00 1.40 O ATOM 1072 CB ASP A 68 13.704 14.835 12.556 1.00 1.22 C ATOM 1073 CG ASP A 68 14.984 15.048 11.751 1.00 2.93 C ATOM 1074 OD1 ASP A 68 14.835 15.426 10.562 1.00 4.43 O ATOM 1075 OD2 ASP A 68 16.068 14.776 12.305 1.00 3.60 O ATOM 0 H ASP A 68 13.268 14.517 10.259 1.00 1.07 H new ATOM 0 HA ASP A 68 13.341 12.703 12.429 1.00 1.11 H new ATOM 0 HB2 ASP A 68 13.088 15.732 12.495 1.00 1.22 H new ATOM 0 HB3 ASP A 68 13.960 14.694 13.606 1.00 1.22 H new ATOM 1080 N SER A 69 10.468 13.933 11.764 1.00 1.12 N ATOM 1081 CA SER A 69 9.079 13.629 12.065 1.00 1.31 C ATOM 1082 C SER A 69 8.896 12.111 12.237 1.00 1.52 C ATOM 1083 O SER A 69 9.852 11.333 12.204 1.00 2.68 O ATOM 1084 CB SER A 69 8.196 14.176 10.935 1.00 1.42 C ATOM 1085 OG SER A 69 6.828 14.110 11.298 1.00 2.71 O ATOM 0 H SER A 69 10.612 14.373 10.855 1.00 1.12 H new ATOM 0 HA SER A 69 8.785 14.103 13.001 1.00 1.31 H new ATOM 0 HB2 SER A 69 8.471 15.208 10.718 1.00 1.42 H new ATOM 0 HB3 SER A 69 8.365 13.602 10.024 1.00 1.42 H new ATOM 0 HG SER A 69 6.278 14.464 10.568 1.00 2.71 H new ATOM 1091 N GLU A 70 7.645 11.677 12.377 1.00 1.07 N ATOM 1092 CA GLU A 70 7.279 10.273 12.418 1.00 1.07 C ATOM 1093 C GLU A 70 6.265 9.962 11.330 1.00 1.21 C ATOM 1094 O GLU A 70 5.866 10.831 10.555 1.00 1.34 O ATOM 1095 CB GLU A 70 6.880 9.813 13.832 1.00 1.38 C ATOM 1096 CG GLU A 70 6.050 10.841 14.598 1.00 1.71 C ATOM 1097 CD GLU A 70 4.707 11.134 13.959 1.00 2.44 C ATOM 1098 OE1 GLU A 70 4.662 11.964 13.026 1.00 3.24 O ATOM 1099 OE2 GLU A 70 3.732 10.498 14.418 1.00 3.35 O ATOM 0 H GLU A 70 6.847 12.307 12.466 1.00 1.07 H new ATOM 0 HA GLU A 70 8.157 9.669 12.191 1.00 1.07 H new ATOM 0 HB2 GLU A 70 6.314 8.885 13.757 1.00 1.38 H new ATOM 0 HB3 GLU A 70 7.783 9.591 14.401 1.00 1.38 H new ATOM 0 HG2 GLU A 70 5.889 10.481 15.614 1.00 1.71 H new ATOM 0 HG3 GLU A 70 6.617 11.769 14.675 1.00 1.71 H new ATOM 1106 N LEU A 71 5.924 8.683 11.235 1.00 1.43 N ATOM 1107 CA LEU A 71 5.203 8.100 10.114 1.00 1.50 C ATOM 1108 C LEU A 71 3.919 7.431 10.611 1.00 1.47 C ATOM 1109 O LEU A 71 3.858 6.965 11.746 1.00 1.58 O ATOM 1110 CB LEU A 71 6.142 7.126 9.383 1.00 1.76 C ATOM 1111 CG LEU A 71 5.726 6.784 7.944 1.00 1.66 C ATOM 1112 CD1 LEU A 71 5.930 7.971 6.994 1.00 1.58 C ATOM 1113 CD2 LEU A 71 6.616 5.640 7.453 1.00 2.67 C ATOM 0 H LEU A 71 6.150 8.002 11.960 1.00 1.43 H new ATOM 0 HA LEU A 71 4.896 8.868 9.403 1.00 1.50 H new ATOM 0 HB2 LEU A 71 7.144 7.555 9.364 1.00 1.76 H new ATOM 0 HB3 LEU A 71 6.202 6.202 9.958 1.00 1.76 H new ATOM 0 HG LEU A 71 4.669 6.517 7.948 1.00 1.66 H new ATOM 0 HD11 LEU A 71 5.624 7.688 5.987 1.00 1.58 H new ATOM 0 HD12 LEU A 71 5.329 8.815 7.332 1.00 1.58 H new ATOM 0 HD13 LEU A 71 6.982 8.255 6.987 1.00 1.58 H new ATOM 0 HD21 LEU A 71 6.341 5.377 6.432 1.00 2.67 H new ATOM 0 HD22 LEU A 71 7.659 5.954 7.478 1.00 2.67 H new ATOM 0 HD23 LEU A 71 6.483 4.772 8.099 1.00 2.67 H new ATOM 1125 N LYS A 72 2.894 7.379 9.755 1.00 1.38 N ATOM 1126 CA LYS A 72 1.638 6.674 9.981 1.00 1.40 C ATOM 1127 C LYS A 72 1.272 5.990 8.668 1.00 1.14 C ATOM 1128 O LYS A 72 1.829 6.346 7.628 1.00 0.96 O ATOM 1129 CB LYS A 72 0.491 7.620 10.392 1.00 1.58 C ATOM 1130 CG LYS A 72 0.883 8.671 11.437 1.00 1.54 C ATOM 1131 CD LYS A 72 1.454 9.912 10.733 1.00 1.66 C ATOM 1132 CE LYS A 72 2.512 10.601 11.594 1.00 2.20 C ATOM 1133 NZ LYS A 72 3.339 11.549 10.824 1.00 2.96 N ATOM 0 H LYS A 72 2.922 7.848 8.850 1.00 1.38 H new ATOM 0 HA LYS A 72 1.771 5.966 10.799 1.00 1.40 H new ATOM 0 HB2 LYS A 72 0.120 8.130 9.503 1.00 1.58 H new ATOM 0 HB3 LYS A 72 -0.333 7.024 10.785 1.00 1.58 H new ATOM 0 HG2 LYS A 72 0.013 8.947 12.033 1.00 1.54 H new ATOM 0 HG3 LYS A 72 1.622 8.258 12.123 1.00 1.54 H new ATOM 0 HD2 LYS A 72 1.892 9.622 9.778 1.00 1.66 H new ATOM 0 HD3 LYS A 72 0.648 10.612 10.514 1.00 1.66 H new ATOM 0 HE2 LYS A 72 2.022 11.132 12.410 1.00 2.20 H new ATOM 0 HE3 LYS A 72 3.156 9.846 12.046 1.00 2.20 H new ATOM 0 HZ1 LYS A 72 3.872 12.156 11.479 1.00 2.96 H new ATOM 0 HZ2 LYS A 72 4.004 11.021 10.223 1.00 2.96 H new ATOM 0 HZ3 LYS A 72 2.725 12.139 10.226 1.00 2.96 H new ATOM 1147 N PHE A 73 0.326 5.047 8.705 1.00 1.17 N ATOM 1148 CA PHE A 73 -0.063 4.250 7.550 1.00 1.04 C ATOM 1149 C PHE A 73 -0.311 5.124 6.319 1.00 0.72 C ATOM 1150 O PHE A 73 0.177 4.807 5.244 1.00 0.63 O ATOM 1151 CB PHE A 73 -1.227 3.293 7.877 1.00 1.32 C ATOM 1152 CG PHE A 73 -2.549 3.950 8.213 1.00 1.43 C ATOM 1153 CD1 PHE A 73 -3.341 4.483 7.184 1.00 2.81 C ATOM 1154 CD2 PHE A 73 -2.909 4.172 9.553 1.00 1.85 C ATOM 1155 CE1 PHE A 73 -4.322 5.433 7.495 1.00 3.34 C ATOM 1156 CE2 PHE A 73 -3.960 5.049 9.866 1.00 2.43 C ATOM 1157 CZ PHE A 73 -4.648 5.707 8.834 1.00 2.82 C ATOM 0 H PHE A 73 -0.195 4.817 9.551 1.00 1.17 H new ATOM 0 HA PHE A 73 0.777 3.606 7.291 1.00 1.04 H new ATOM 0 HB2 PHE A 73 -1.379 2.632 7.024 1.00 1.32 H new ATOM 0 HB3 PHE A 73 -0.931 2.666 8.718 1.00 1.32 H new ATOM 0 HD1 PHE A 73 -3.195 4.164 6.163 1.00 2.81 H new ATOM 0 HD2 PHE A 73 -2.376 3.667 10.345 1.00 1.85 H new ATOM 0 HE1 PHE A 73 -4.831 5.958 6.701 1.00 3.34 H new ATOM 0 HE2 PHE A 73 -4.238 5.217 10.896 1.00 2.43 H new ATOM 0 HZ PHE A 73 -5.424 6.420 9.068 1.00 2.82 H new ATOM 1167 N ASN A 74 -1.047 6.227 6.467 1.00 0.75 N ATOM 1168 CA ASN A 74 -1.405 7.101 5.352 1.00 0.75 C ATOM 1169 C ASN A 74 -0.166 7.710 4.685 1.00 0.72 C ATOM 1170 O ASN A 74 -0.046 7.661 3.462 1.00 0.78 O ATOM 1171 CB ASN A 74 -2.436 8.164 5.771 1.00 1.00 C ATOM 1172 CG ASN A 74 -2.064 8.918 7.041 1.00 2.39 C ATOM 1173 OD1 ASN A 74 -1.497 10.000 6.985 1.00 2.76 O ATOM 1174 ND2 ASN A 74 -2.401 8.366 8.206 1.00 4.18 N ATOM 0 H ASN A 74 -1.412 6.539 7.367 1.00 0.75 H new ATOM 0 HA ASN A 74 -1.888 6.483 4.595 1.00 0.75 H new ATOM 0 HB2 ASN A 74 -2.557 8.879 4.958 1.00 1.00 H new ATOM 0 HB3 ASN A 74 -3.402 7.681 5.917 1.00 1.00 H new ATOM 0 HD21 ASN A 74 -2.187 8.847 9.079 1.00 4.18 H new ATOM 0 HD22 ASN A 74 -2.873 7.462 8.224 1.00 4.18 H new ATOM 1181 N GLU A 75 0.760 8.262 5.475 1.00 0.76 N ATOM 1182 CA GLU A 75 2.009 8.816 4.969 1.00 0.82 C ATOM 1183 C GLU A 75 2.845 7.701 4.327 1.00 0.64 C ATOM 1184 O GLU A 75 3.262 7.813 3.176 1.00 0.69 O ATOM 1185 CB GLU A 75 2.769 9.498 6.117 1.00 1.10 C ATOM 1186 CG GLU A 75 2.027 10.716 6.700 1.00 2.02 C ATOM 1187 CD GLU A 75 2.696 11.260 7.959 1.00 3.24 C ATOM 1188 OE1 GLU A 75 3.709 10.671 8.392 1.00 4.37 O ATOM 1189 OE2 GLU A 75 2.148 12.192 8.588 1.00 4.21 O ATOM 0 H GLU A 75 0.659 8.335 6.487 1.00 0.76 H new ATOM 0 HA GLU A 75 1.803 9.565 4.205 1.00 0.82 H new ATOM 0 HB2 GLU A 75 2.941 8.772 6.911 1.00 1.10 H new ATOM 0 HB3 GLU A 75 3.748 9.815 5.758 1.00 1.10 H new ATOM 0 HG2 GLU A 75 1.981 11.503 5.948 1.00 2.02 H new ATOM 0 HG3 GLU A 75 0.999 10.435 6.931 1.00 2.02 H new ATOM 1196 N TYR A 76 3.069 6.617 5.077 1.00 0.57 N ATOM 1197 CA TYR A 76 3.778 5.420 4.633 1.00 0.51 C ATOM 1198 C TYR A 76 3.305 4.983 3.245 1.00 0.46 C ATOM 1199 O TYR A 76 4.113 4.805 2.331 1.00 0.50 O ATOM 1200 CB TYR A 76 3.546 4.312 5.677 1.00 0.62 C ATOM 1201 CG TYR A 76 3.747 2.884 5.203 1.00 0.93 C ATOM 1202 CD1 TYR A 76 2.652 2.149 4.708 1.00 2.58 C ATOM 1203 CD2 TYR A 76 4.982 2.242 5.395 1.00 1.62 C ATOM 1204 CE1 TYR A 76 2.816 0.809 4.331 1.00 2.87 C ATOM 1205 CE2 TYR A 76 5.135 0.891 5.039 1.00 1.70 C ATOM 1206 CZ TYR A 76 4.050 0.171 4.510 1.00 1.66 C ATOM 1207 OH TYR A 76 4.185 -1.139 4.160 1.00 2.07 O ATOM 0 H TYR A 76 2.749 6.550 6.043 1.00 0.57 H new ATOM 0 HA TYR A 76 4.844 5.629 4.549 1.00 0.51 H new ATOM 0 HB2 TYR A 76 4.216 4.490 6.518 1.00 0.62 H new ATOM 0 HB3 TYR A 76 2.528 4.406 6.055 1.00 0.62 H new ATOM 0 HD1 TYR A 76 1.684 2.619 4.619 1.00 2.58 H new ATOM 0 HD2 TYR A 76 5.814 2.787 5.816 1.00 1.62 H new ATOM 0 HE1 TYR A 76 1.987 0.266 3.901 1.00 2.87 H new ATOM 0 HE2 TYR A 76 6.090 0.404 5.172 1.00 1.70 H new ATOM 0 HH TYR A 76 5.109 -1.310 3.883 1.00 2.07 H new ATOM 1217 N TRP A 77 1.993 4.782 3.116 1.00 0.45 N ATOM 1218 CA TRP A 77 1.364 4.133 1.981 1.00 0.44 C ATOM 1219 C TRP A 77 1.941 4.591 0.644 1.00 0.47 C ATOM 1220 O TRP A 77 2.656 3.859 -0.037 1.00 0.51 O ATOM 1221 CB TRP A 77 -0.156 4.342 2.038 1.00 0.47 C ATOM 1222 CG TRP A 77 -0.874 3.087 1.791 1.00 0.45 C ATOM 1223 CD1 TRP A 77 -1.194 2.686 0.558 1.00 0.49 C ATOM 1224 CD2 TRP A 77 -1.400 2.094 2.716 1.00 0.45 C ATOM 1225 NE1 TRP A 77 -1.824 1.468 0.650 1.00 0.52 N ATOM 1226 CE2 TRP A 77 -2.056 1.089 1.956 1.00 0.51 C ATOM 1227 CE3 TRP A 77 -1.429 1.956 4.115 1.00 0.43 C ATOM 1228 CZ2 TRP A 77 -2.739 0.018 2.557 1.00 0.58 C ATOM 1229 CZ3 TRP A 77 -2.087 0.871 4.717 1.00 0.48 C ATOM 1230 CH2 TRP A 77 -2.753 -0.089 3.955 1.00 0.57 C ATOM 0 H TRP A 77 1.323 5.079 3.826 1.00 0.45 H new ATOM 0 HA TRP A 77 1.579 3.067 2.049 1.00 0.44 H new ATOM 0 HB2 TRP A 77 -0.435 4.737 3.015 1.00 0.47 H new ATOM 0 HB3 TRP A 77 -0.452 5.085 1.297 1.00 0.47 H new ATOM 0 HD1 TRP A 77 -0.992 3.226 -0.355 1.00 0.49 H new ATOM 0 HE1 TRP A 77 -2.091 0.906 -0.158 1.00 0.52 H new ATOM 0 HE3 TRP A 77 -0.939 2.693 4.734 1.00 0.43 H new ATOM 0 HZ2 TRP A 77 -3.248 -0.715 1.949 1.00 0.58 H new ATOM 0 HZ3 TRP A 77 -2.077 0.778 5.793 1.00 0.48 H new ATOM 0 HH2 TRP A 77 -3.273 -0.904 4.436 1.00 0.57 H new ATOM 1241 N ARG A 78 1.620 5.818 0.261 1.00 0.53 N ATOM 1242 CA ARG A 78 2.097 6.405 -0.969 1.00 0.65 C ATOM 1243 C ARG A 78 3.621 6.302 -1.121 1.00 0.54 C ATOM 1244 O ARG A 78 4.079 6.061 -2.229 1.00 0.55 O ATOM 1245 CB ARG A 78 1.636 7.850 -1.012 1.00 0.85 C ATOM 1246 CG ARG A 78 2.045 8.672 0.212 1.00 1.19 C ATOM 1247 CD ARG A 78 1.958 10.127 -0.214 1.00 1.67 C ATOM 1248 NE ARG A 78 3.109 10.469 -1.084 1.00 3.00 N ATOM 1249 CZ ARG A 78 3.815 11.610 -1.123 1.00 3.91 C ATOM 1250 NH1 ARG A 78 3.395 12.695 -0.465 1.00 3.93 N ATOM 1251 NH2 ARG A 78 4.947 11.639 -1.832 1.00 5.40 N ATOM 0 H ARG A 78 1.016 6.434 0.804 1.00 0.53 H new ATOM 0 HA ARG A 78 1.681 5.850 -1.810 1.00 0.65 H new ATOM 0 HB2 ARG A 78 2.041 8.323 -1.906 1.00 0.85 H new ATOM 0 HB3 ARG A 78 0.550 7.871 -1.105 1.00 0.85 H new ATOM 0 HG2 ARG A 78 1.384 8.472 1.055 1.00 1.19 H new ATOM 0 HG3 ARG A 78 3.056 8.419 0.532 1.00 1.19 H new ATOM 0 HD2 ARG A 78 1.024 10.304 -0.747 1.00 1.67 H new ATOM 0 HD3 ARG A 78 1.951 10.772 0.665 1.00 1.67 H new ATOM 0 HE ARG A 78 3.402 9.743 -1.738 1.00 3.00 H new ATOM 0 HH11 ARG A 78 2.530 12.661 0.074 1.00 3.93 H new ATOM 0 HH12 ARG A 78 3.940 13.557 -0.502 1.00 3.93 H new ATOM 0 HH21 ARG A 78 5.259 10.805 -2.330 1.00 5.40 H new ATOM 0 HH22 ARG A 78 5.500 12.495 -1.876 1.00 5.40 H new ATOM 1265 N LEU A 79 4.413 6.443 -0.047 1.00 0.51 N ATOM 1266 CA LEU A 79 5.866 6.340 -0.158 1.00 0.47 C ATOM 1267 C LEU A 79 6.251 4.939 -0.631 1.00 0.45 C ATOM 1268 O LEU A 79 7.117 4.812 -1.496 1.00 0.48 O ATOM 1269 CB LEU A 79 6.594 6.693 1.151 1.00 0.51 C ATOM 1270 CG LEU A 79 6.905 8.191 1.361 1.00 0.60 C ATOM 1271 CD1 LEU A 79 5.744 9.137 1.045 1.00 0.75 C ATOM 1272 CD2 LEU A 79 7.351 8.428 2.809 1.00 0.78 C ATOM 0 H LEU A 79 4.071 6.627 0.896 1.00 0.51 H new ATOM 0 HA LEU A 79 6.188 7.076 -0.894 1.00 0.47 H new ATOM 0 HB2 LEU A 79 5.987 6.346 1.988 1.00 0.51 H new ATOM 0 HB3 LEU A 79 7.531 6.138 1.185 1.00 0.51 H new ATOM 0 HG LEU A 79 7.697 8.425 0.649 1.00 0.60 H new ATOM 0 HD11 LEU A 79 6.055 10.167 1.222 1.00 0.75 H new ATOM 0 HD12 LEU A 79 5.453 9.020 0.001 1.00 0.75 H new ATOM 0 HD13 LEU A 79 4.896 8.899 1.687 1.00 0.75 H new ATOM 0 HD21 LEU A 79 7.570 9.486 2.954 1.00 0.78 H new ATOM 0 HD22 LEU A 79 6.555 8.126 3.489 1.00 0.78 H new ATOM 0 HD23 LEU A 79 8.246 7.841 3.015 1.00 0.78 H new ATOM 1284 N ILE A 80 5.630 3.878 -0.097 1.00 0.43 N ATOM 1285 CA ILE A 80 5.913 2.549 -0.639 1.00 0.43 C ATOM 1286 C ILE A 80 5.358 2.437 -2.067 1.00 0.42 C ATOM 1287 O ILE A 80 5.960 1.775 -2.906 1.00 0.44 O ATOM 1288 CB ILE A 80 5.528 1.371 0.285 1.00 0.44 C ATOM 1289 CG1 ILE A 80 4.143 0.824 -0.047 1.00 0.69 C ATOM 1290 CG2 ILE A 80 5.606 1.747 1.758 1.00 0.59 C ATOM 1291 CD1 ILE A 80 3.600 -0.287 0.851 1.00 0.45 C ATOM 0 H ILE A 80 4.961 3.910 0.672 1.00 0.43 H new ATOM 0 HA ILE A 80 6.997 2.450 -0.691 1.00 0.43 H new ATOM 0 HB ILE A 80 6.261 0.586 0.101 1.00 0.44 H new ATOM 0 HG12 ILE A 80 3.437 1.654 -0.023 1.00 0.69 H new ATOM 0 HG13 ILE A 80 4.163 0.452 -1.071 1.00 0.69 H new ATOM 0 HG21 ILE A 80 5.327 0.888 2.368 1.00 0.59 H new ATOM 0 HG22 ILE A 80 6.624 2.050 2.003 1.00 0.59 H new ATOM 0 HG23 ILE A 80 4.923 2.572 1.959 1.00 0.59 H new ATOM 0 HD11 ILE A 80 2.610 -0.583 0.505 1.00 0.45 H new ATOM 0 HD12 ILE A 80 4.270 -1.146 0.813 1.00 0.45 H new ATOM 0 HD13 ILE A 80 3.533 0.075 1.877 1.00 0.45 H new ATOM 1303 N GLY A 81 4.232 3.101 -2.354 1.00 0.43 N ATOM 1304 CA GLY A 81 3.723 3.296 -3.711 1.00 0.43 C ATOM 1305 C GLY A 81 4.827 3.772 -4.656 1.00 0.43 C ATOM 1306 O GLY A 81 5.107 3.143 -5.675 1.00 0.54 O ATOM 0 H GLY A 81 3.642 3.523 -1.637 1.00 0.43 H new ATOM 0 HA2 GLY A 81 3.302 2.361 -4.082 1.00 0.43 H new ATOM 0 HA3 GLY A 81 2.914 4.026 -3.697 1.00 0.43 H new ATOM 1310 N GLU A 82 5.473 4.876 -4.291 1.00 0.40 N ATOM 1311 CA GLU A 82 6.592 5.469 -4.999 1.00 0.42 C ATOM 1312 C GLU A 82 7.742 4.455 -5.068 1.00 0.46 C ATOM 1313 O GLU A 82 8.314 4.236 -6.128 1.00 0.59 O ATOM 1314 CB GLU A 82 6.965 6.781 -4.294 1.00 0.45 C ATOM 1315 CG GLU A 82 5.823 7.813 -4.386 1.00 0.76 C ATOM 1316 CD GLU A 82 5.794 8.773 -3.202 1.00 1.70 C ATOM 1317 OE1 GLU A 82 6.875 9.103 -2.677 1.00 2.64 O ATOM 1318 OE2 GLU A 82 4.686 9.221 -2.826 1.00 2.73 O ATOM 0 H GLU A 82 5.215 5.401 -3.456 1.00 0.40 H new ATOM 0 HA GLU A 82 6.339 5.715 -6.030 1.00 0.42 H new ATOM 0 HB2 GLU A 82 7.193 6.581 -3.247 1.00 0.45 H new ATOM 0 HB3 GLU A 82 7.868 7.194 -4.744 1.00 0.45 H new ATOM 0 HG2 GLU A 82 5.930 8.384 -5.308 1.00 0.76 H new ATOM 0 HG3 GLU A 82 4.870 7.288 -4.445 1.00 0.76 H new ATOM 1325 N LEU A 83 8.047 3.767 -3.966 1.00 0.44 N ATOM 1326 CA LEU A 83 9.032 2.692 -3.971 1.00 0.52 C ATOM 1327 C LEU A 83 8.714 1.657 -5.075 1.00 0.56 C ATOM 1328 O LEU A 83 9.586 1.317 -5.874 1.00 0.64 O ATOM 1329 CB LEU A 83 9.134 2.079 -2.561 1.00 0.59 C ATOM 1330 CG LEU A 83 10.541 1.667 -2.101 1.00 1.07 C ATOM 1331 CD1 LEU A 83 11.292 0.918 -3.194 1.00 2.06 C ATOM 1332 CD2 LEU A 83 11.376 2.867 -1.639 1.00 2.31 C ATOM 0 H LEU A 83 7.621 3.939 -3.055 1.00 0.44 H new ATOM 0 HA LEU A 83 10.016 3.090 -4.218 1.00 0.52 H new ATOM 0 HB2 LEU A 83 8.736 2.798 -1.845 1.00 0.59 H new ATOM 0 HB3 LEU A 83 8.490 1.201 -2.522 1.00 0.59 H new ATOM 0 HG LEU A 83 10.396 1.002 -1.250 1.00 1.07 H new ATOM 0 HD11 LEU A 83 12.283 0.643 -2.832 1.00 2.06 H new ATOM 0 HD12 LEU A 83 10.741 0.017 -3.462 1.00 2.06 H new ATOM 0 HD13 LEU A 83 11.391 1.557 -4.071 1.00 2.06 H new ATOM 0 HD21 LEU A 83 12.362 2.525 -1.324 1.00 2.31 H new ATOM 0 HD22 LEU A 83 11.483 3.574 -2.462 1.00 2.31 H new ATOM 0 HD23 LEU A 83 10.877 3.357 -0.803 1.00 2.31 H new ATOM 1344 N ALA A 84 7.466 1.176 -5.170 1.00 0.56 N ATOM 1345 CA ALA A 84 7.046 0.299 -6.261 1.00 0.68 C ATOM 1346 C ALA A 84 7.173 0.973 -7.637 1.00 0.70 C ATOM 1347 O ALA A 84 7.636 0.348 -8.588 1.00 0.95 O ATOM 1348 CB ALA A 84 5.615 -0.193 -6.015 1.00 0.71 C ATOM 0 H ALA A 84 6.729 1.384 -4.497 1.00 0.56 H new ATOM 0 HA ALA A 84 7.719 -0.558 -6.275 1.00 0.68 H new ATOM 0 HB1 ALA A 84 5.309 -0.846 -6.832 1.00 0.71 H new ATOM 0 HB2 ALA A 84 5.576 -0.745 -5.076 1.00 0.71 H new ATOM 0 HB3 ALA A 84 4.941 0.662 -5.962 1.00 0.71 H new ATOM 1354 N LYS A 85 6.739 2.232 -7.767 1.00 0.67 N ATOM 1355 CA LYS A 85 6.883 3.041 -8.982 1.00 0.91 C ATOM 1356 C LYS A 85 8.335 3.011 -9.473 1.00 0.90 C ATOM 1357 O LYS A 85 8.586 2.835 -10.664 1.00 1.15 O ATOM 1358 CB LYS A 85 6.407 4.468 -8.677 1.00 1.14 C ATOM 1359 CG LYS A 85 6.363 5.456 -9.848 1.00 1.22 C ATOM 1360 CD LYS A 85 6.357 6.858 -9.219 1.00 1.68 C ATOM 1361 CE LYS A 85 6.175 7.995 -10.228 1.00 2.10 C ATOM 1362 NZ LYS A 85 6.360 9.306 -9.571 1.00 3.08 N ATOM 0 H LYS A 85 6.266 2.728 -7.011 1.00 0.67 H new ATOM 0 HA LYS A 85 6.270 2.633 -9.786 1.00 0.91 H new ATOM 0 HB2 LYS A 85 5.406 4.406 -8.249 1.00 1.14 H new ATOM 0 HB3 LYS A 85 7.058 4.884 -7.908 1.00 1.14 H new ATOM 0 HG2 LYS A 85 7.226 5.325 -10.501 1.00 1.22 H new ATOM 0 HG3 LYS A 85 5.474 5.298 -10.458 1.00 1.22 H new ATOM 0 HD2 LYS A 85 5.557 6.910 -8.481 1.00 1.68 H new ATOM 0 HD3 LYS A 85 7.294 7.008 -8.684 1.00 1.68 H new ATOM 0 HE2 LYS A 85 6.892 7.885 -11.042 1.00 2.10 H new ATOM 0 HE3 LYS A 85 5.180 7.941 -10.670 1.00 2.10 H new ATOM 0 HZ1 LYS A 85 6.216 10.066 -10.266 1.00 3.08 H new ATOM 0 HZ2 LYS A 85 5.671 9.408 -8.799 1.00 3.08 H new ATOM 0 HZ3 LYS A 85 7.324 9.368 -9.185 1.00 3.08 H new ATOM 1376 N GLU A 86 9.274 3.188 -8.542 1.00 0.68 N ATOM 1377 CA GLU A 86 10.707 3.101 -8.755 1.00 0.74 C ATOM 1378 C GLU A 86 11.076 1.653 -9.102 1.00 0.77 C ATOM 1379 O GLU A 86 11.204 1.303 -10.278 1.00 1.07 O ATOM 1380 CB GLU A 86 11.404 3.635 -7.491 1.00 0.81 C ATOM 1381 CG GLU A 86 11.156 5.144 -7.325 1.00 1.12 C ATOM 1382 CD GLU A 86 11.029 5.570 -5.866 1.00 1.30 C ATOM 1383 OE1 GLU A 86 11.731 5.009 -4.995 1.00 1.74 O ATOM 1384 OE2 GLU A 86 10.220 6.483 -5.581 1.00 2.62 O ATOM 0 H GLU A 86 9.037 3.406 -7.574 1.00 0.68 H new ATOM 0 HA GLU A 86 11.040 3.710 -9.596 1.00 0.74 H new ATOM 0 HB2 GLU A 86 11.034 3.103 -6.614 1.00 0.81 H new ATOM 0 HB3 GLU A 86 12.475 3.443 -7.552 1.00 0.81 H new ATOM 0 HG2 GLU A 86 11.975 5.694 -7.788 1.00 1.12 H new ATOM 0 HG3 GLU A 86 10.246 5.418 -7.858 1.00 1.12 H new ATOM 1391 N ILE A 87 11.248 0.790 -8.100 1.00 0.65 N ATOM 1392 CA ILE A 87 11.616 -0.599 -8.333 1.00 0.72 C ATOM 1393 C ILE A 87 10.361 -1.405 -8.666 1.00 0.93 C ATOM 1394 O ILE A 87 9.822 -2.161 -7.855 1.00 1.09 O ATOM 1395 CB ILE A 87 12.522 -1.163 -7.222 1.00 0.91 C ATOM 1396 CG1 ILE A 87 12.874 -2.648 -7.410 1.00 1.11 C ATOM 1397 CG2 ILE A 87 11.965 -0.945 -5.815 1.00 1.60 C ATOM 1398 CD1 ILE A 87 13.423 -2.980 -8.800 1.00 1.24 C ATOM 0 H ILE A 87 11.137 1.034 -7.116 1.00 0.65 H new ATOM 0 HA ILE A 87 12.258 -0.679 -9.210 1.00 0.72 H new ATOM 0 HB ILE A 87 13.440 -0.583 -7.319 1.00 0.91 H new ATOM 0 HG12 ILE A 87 13.611 -2.935 -6.660 1.00 1.11 H new ATOM 0 HG13 ILE A 87 11.983 -3.249 -7.228 1.00 1.11 H new ATOM 0 HG21 ILE A 87 12.653 -1.366 -5.082 1.00 1.60 H new ATOM 0 HG22 ILE A 87 11.849 0.123 -5.631 1.00 1.60 H new ATOM 0 HG23 ILE A 87 10.996 -1.436 -5.727 1.00 1.60 H new ATOM 0 HD11 ILE A 87 13.648 -4.045 -8.857 1.00 1.24 H new ATOM 0 HD12 ILE A 87 12.679 -2.725 -9.555 1.00 1.24 H new ATOM 0 HD13 ILE A 87 14.333 -2.406 -8.978 1.00 1.24 H new ATOM 1410 N ARG A 88 9.949 -1.291 -9.928 1.00 1.35 N ATOM 1411 CA ARG A 88 8.775 -1.960 -10.463 1.00 1.75 C ATOM 1412 C ARG A 88 9.165 -3.405 -10.789 1.00 1.59 C ATOM 1413 O ARG A 88 9.245 -3.809 -11.949 1.00 2.08 O ATOM 1414 CB ARG A 88 8.304 -1.176 -11.696 1.00 2.32 C ATOM 1415 CG ARG A 88 6.923 -1.619 -12.190 1.00 3.12 C ATOM 1416 CD ARG A 88 6.633 -0.936 -13.530 1.00 3.47 C ATOM 1417 NE ARG A 88 5.231 -1.117 -13.936 1.00 4.81 N ATOM 1418 CZ ARG A 88 4.699 -0.617 -15.062 1.00 5.45 C ATOM 1419 NH1 ARG A 88 5.473 0.045 -15.929 1.00 4.89 N ATOM 1420 NH2 ARG A 88 3.398 -0.763 -15.313 1.00 6.87 N ATOM 0 H ARG A 88 10.436 -0.718 -10.617 1.00 1.35 H new ATOM 0 HA ARG A 88 7.948 -1.990 -9.754 1.00 1.75 H new ATOM 0 HB2 ARG A 88 8.275 -0.113 -11.456 1.00 2.32 H new ATOM 0 HB3 ARG A 88 9.030 -1.301 -12.500 1.00 2.32 H new ATOM 0 HG2 ARG A 88 6.893 -2.703 -12.305 1.00 3.12 H new ATOM 0 HG3 ARG A 88 6.159 -1.355 -11.459 1.00 3.12 H new ATOM 0 HD2 ARG A 88 6.856 0.128 -13.453 1.00 3.47 H new ATOM 0 HD3 ARG A 88 7.291 -1.344 -14.297 1.00 3.47 H new ATOM 0 HE ARG A 88 4.623 -1.658 -13.321 1.00 4.81 H new ATOM 0 HH11 ARG A 88 6.466 0.169 -15.734 1.00 4.89 H new ATOM 0 HH12 ARG A 88 5.070 0.425 -16.785 1.00 4.89 H new ATOM 0 HH21 ARG A 88 2.803 -1.256 -14.648 1.00 6.87 H new ATOM 0 HH22 ARG A 88 2.998 -0.381 -16.170 1.00 6.87 H new ATOM 1434 N LYS A 89 9.460 -4.169 -9.735 1.00 1.27 N ATOM 1435 CA LYS A 89 9.936 -5.537 -9.834 1.00 1.16 C ATOM 1436 C LYS A 89 8.904 -6.444 -10.506 1.00 1.80 C ATOM 1437 O LYS A 89 7.703 -6.187 -10.442 1.00 2.58 O ATOM 1438 CB LYS A 89 10.363 -6.058 -8.451 1.00 1.99 C ATOM 1439 CG LYS A 89 9.231 -6.495 -7.504 1.00 1.42 C ATOM 1440 CD LYS A 89 8.234 -5.386 -7.124 1.00 1.41 C ATOM 1441 CE LYS A 89 7.360 -5.823 -5.936 1.00 2.01 C ATOM 1442 NZ LYS A 89 8.062 -5.695 -4.642 1.00 2.98 N ATOM 0 H LYS A 89 9.371 -3.841 -8.773 1.00 1.27 H new ATOM 0 HA LYS A 89 10.817 -5.550 -10.475 1.00 1.16 H new ATOM 0 HB2 LYS A 89 11.032 -6.906 -8.597 1.00 1.99 H new ATOM 0 HB3 LYS A 89 10.941 -5.278 -7.956 1.00 1.99 H new ATOM 0 HG2 LYS A 89 8.681 -7.312 -7.972 1.00 1.42 H new ATOM 0 HG3 LYS A 89 9.675 -6.892 -6.591 1.00 1.42 H new ATOM 0 HD2 LYS A 89 8.776 -4.476 -6.868 1.00 1.41 H new ATOM 0 HD3 LYS A 89 7.601 -5.150 -7.980 1.00 1.41 H new ATOM 0 HE2 LYS A 89 6.452 -5.220 -5.915 1.00 2.01 H new ATOM 0 HE3 LYS A 89 7.051 -6.859 -6.078 1.00 2.01 H new ATOM 0 HZ1 LYS A 89 7.574 -6.268 -3.924 1.00 2.98 H new ATOM 0 HZ2 LYS A 89 9.042 -6.028 -4.744 1.00 2.98 H new ATOM 0 HZ3 LYS A 89 8.065 -4.698 -4.346 1.00 2.98 H new ATOM 1456 N LYS A 90 9.383 -7.529 -11.119 1.00 2.06 N ATOM 1457 CA LYS A 90 8.534 -8.588 -11.646 1.00 3.03 C ATOM 1458 C LYS A 90 9.322 -9.894 -11.746 1.00 2.82 C ATOM 1459 O LYS A 90 8.895 -10.906 -11.200 1.00 4.39 O ATOM 1460 CB LYS A 90 7.837 -8.184 -12.961 1.00 3.91 C ATOM 1461 CG LYS A 90 8.743 -7.557 -14.033 1.00 3.90 C ATOM 1462 CD LYS A 90 7.950 -7.110 -15.273 1.00 5.43 C ATOM 1463 CE LYS A 90 7.374 -8.300 -16.061 1.00 6.51 C ATOM 1464 NZ LYS A 90 6.745 -7.885 -17.333 1.00 7.65 N ATOM 0 H LYS A 90 10.379 -7.694 -11.262 1.00 2.06 H new ATOM 0 HA LYS A 90 7.718 -8.758 -10.944 1.00 3.03 H new ATOM 0 HB2 LYS A 90 7.363 -9.069 -13.385 1.00 3.91 H new ATOM 0 HB3 LYS A 90 7.041 -7.477 -12.726 1.00 3.91 H new ATOM 0 HG2 LYS A 90 9.265 -6.699 -13.609 1.00 3.90 H new ATOM 0 HG3 LYS A 90 9.504 -8.278 -14.331 1.00 3.90 H new ATOM 0 HD2 LYS A 90 7.136 -6.454 -14.964 1.00 5.43 H new ATOM 0 HD3 LYS A 90 8.599 -6.526 -15.925 1.00 5.43 H new ATOM 0 HE2 LYS A 90 8.171 -9.014 -16.269 1.00 6.51 H new ATOM 0 HE3 LYS A 90 6.637 -8.816 -15.446 1.00 6.51 H new ATOM 0 HZ1 LYS A 90 6.373 -8.722 -17.826 1.00 7.65 H new ATOM 0 HZ2 LYS A 90 5.966 -7.225 -17.136 1.00 7.65 H new ATOM 0 HZ3 LYS A 90 7.453 -7.416 -17.934 1.00 7.65 H new ATOM 1478 N LYS A 91 10.474 -9.880 -12.429 1.00 2.27 N ATOM 1479 CA LYS A 91 11.236 -11.105 -12.635 1.00 3.69 C ATOM 1480 C LYS A 91 11.890 -11.583 -11.332 1.00 4.16 C ATOM 1481 O LYS A 91 11.528 -12.630 -10.799 1.00 4.95 O ATOM 1482 CB LYS A 91 12.198 -10.985 -13.836 1.00 4.51 C ATOM 1483 CG LYS A 91 13.400 -10.020 -13.778 1.00 6.24 C ATOM 1484 CD LYS A 91 13.038 -8.527 -13.881 1.00 7.08 C ATOM 1485 CE LYS A 91 14.285 -7.660 -14.130 1.00 9.23 C ATOM 1486 NZ LYS A 91 15.029 -7.380 -12.885 1.00 10.61 N ATOM 0 H LYS A 91 10.889 -9.044 -12.841 1.00 2.27 H new ATOM 0 HA LYS A 91 10.545 -11.901 -12.914 1.00 3.69 H new ATOM 0 HB2 LYS A 91 12.594 -11.981 -14.033 1.00 4.51 H new ATOM 0 HB3 LYS A 91 11.599 -10.703 -14.702 1.00 4.51 H new ATOM 0 HG2 LYS A 91 13.935 -10.185 -12.843 1.00 6.24 H new ATOM 0 HG3 LYS A 91 14.087 -10.269 -14.587 1.00 6.24 H new ATOM 0 HD2 LYS A 91 12.324 -8.380 -14.691 1.00 7.08 H new ATOM 0 HD3 LYS A 91 12.548 -8.206 -12.962 1.00 7.08 H new ATOM 0 HE2 LYS A 91 14.942 -8.166 -14.837 1.00 9.23 H new ATOM 0 HE3 LYS A 91 13.985 -6.719 -14.591 1.00 9.23 H new ATOM 0 HZ1 LYS A 91 15.127 -6.352 -12.763 1.00 10.61 H new ATOM 0 HZ2 LYS A 91 14.512 -7.777 -12.075 1.00 10.61 H new ATOM 0 HZ3 LYS A 91 15.973 -7.814 -12.940 1.00 10.61 H new ATOM 1500 N ASP A 92 12.792 -10.792 -10.750 1.00 4.07 N ATOM 1501 CA ASP A 92 13.480 -11.144 -9.516 1.00 4.81 C ATOM 1502 C ASP A 92 12.635 -10.652 -8.346 1.00 3.38 C ATOM 1503 O ASP A 92 13.110 -9.878 -7.517 1.00 4.03 O ATOM 1504 CB ASP A 92 14.878 -10.496 -9.527 1.00 6.56 C ATOM 1505 CG ASP A 92 14.822 -8.987 -9.739 1.00 8.01 C ATOM 1506 OD1 ASP A 92 14.283 -8.593 -10.802 1.00 8.08 O ATOM 1507 OD2 ASP A 92 15.352 -8.248 -8.881 1.00 9.42 O ATOM 0 H ASP A 92 13.065 -9.884 -11.127 1.00 4.07 H new ATOM 0 HA ASP A 92 13.611 -12.222 -9.420 1.00 4.81 H new ATOM 0 HB2 ASP A 92 15.381 -10.708 -8.583 1.00 6.56 H new ATOM 0 HB3 ASP A 92 15.478 -10.948 -10.317 1.00 6.56 H new ATOM 1512 N LEU A 93 11.369 -11.082 -8.295 1.00 2.09 N ATOM 1513 CA LEU A 93 10.450 -10.531 -7.311 1.00 1.06 C ATOM 1514 C LEU A 93 10.604 -11.203 -5.949 1.00 1.29 C ATOM 1515 O LEU A 93 10.987 -10.536 -4.998 1.00 2.37 O ATOM 1516 CB LEU A 93 9.030 -10.591 -7.901 1.00 1.99 C ATOM 1517 CG LEU A 93 7.872 -10.142 -6.991 1.00 1.87 C ATOM 1518 CD1 LEU A 93 6.687 -9.715 -7.868 1.00 3.46 C ATOM 1519 CD2 LEU A 93 7.397 -11.272 -6.071 1.00 2.84 C ATOM 0 H LEU A 93 10.971 -11.792 -8.910 1.00 2.09 H new ATOM 0 HA LEU A 93 10.682 -9.486 -7.107 1.00 1.06 H new ATOM 0 HB2 LEU A 93 9.011 -9.976 -8.800 1.00 1.99 H new ATOM 0 HB3 LEU A 93 8.837 -11.617 -8.213 1.00 1.99 H new ATOM 0 HG LEU A 93 8.234 -9.319 -6.375 1.00 1.87 H new ATOM 0 HD11 LEU A 93 5.861 -9.395 -7.233 1.00 3.46 H new ATOM 0 HD12 LEU A 93 6.990 -8.890 -8.512 1.00 3.46 H new ATOM 0 HD13 LEU A 93 6.367 -10.557 -8.482 1.00 3.46 H new ATOM 0 HD21 LEU A 93 6.579 -10.913 -5.446 1.00 2.84 H new ATOM 0 HD22 LEU A 93 7.051 -12.111 -6.674 1.00 2.84 H new ATOM 0 HD23 LEU A 93 8.222 -11.597 -5.437 1.00 2.84 H new ATOM 1531 N LYS A 94 10.294 -12.502 -5.837 1.00 0.99 N ATOM 1532 CA LYS A 94 10.863 -13.438 -4.868 1.00 1.01 C ATOM 1533 C LYS A 94 12.156 -14.141 -5.304 1.00 1.16 C ATOM 1534 O LYS A 94 12.824 -14.770 -4.489 1.00 1.23 O ATOM 1535 CB LYS A 94 9.770 -14.352 -4.290 1.00 1.25 C ATOM 1536 CG LYS A 94 9.099 -13.617 -3.115 1.00 1.57 C ATOM 1537 CD LYS A 94 7.755 -14.214 -2.665 1.00 1.68 C ATOM 1538 CE LYS A 94 6.602 -13.757 -3.575 1.00 2.33 C ATOM 1539 NZ LYS A 94 5.282 -13.891 -2.925 1.00 2.64 N ATOM 0 H LYS A 94 9.609 -12.945 -6.449 1.00 0.99 H new ATOM 0 HA LYS A 94 11.237 -12.838 -4.038 1.00 1.01 H new ATOM 0 HB2 LYS A 94 9.034 -14.595 -5.056 1.00 1.25 H new ATOM 0 HB3 LYS A 94 10.202 -15.294 -3.952 1.00 1.25 H new ATOM 0 HG2 LYS A 94 9.783 -13.617 -2.266 1.00 1.57 H new ATOM 0 HG3 LYS A 94 8.942 -12.576 -3.398 1.00 1.57 H new ATOM 0 HD2 LYS A 94 7.818 -15.302 -2.674 1.00 1.68 H new ATOM 0 HD3 LYS A 94 7.549 -13.915 -1.637 1.00 1.68 H new ATOM 0 HE2 LYS A 94 6.759 -12.717 -3.861 1.00 2.33 H new ATOM 0 HE3 LYS A 94 6.613 -14.345 -4.493 1.00 2.33 H new ATOM 0 HZ1 LYS A 94 4.601 -13.255 -3.387 1.00 2.64 H new ATOM 0 HZ2 LYS A 94 4.951 -14.873 -3.010 1.00 2.64 H new ATOM 0 HZ3 LYS A 94 5.363 -13.639 -1.919 1.00 2.64 H new ATOM 1553 N ILE A 95 12.443 -14.188 -6.611 1.00 1.29 N ATOM 1554 CA ILE A 95 13.425 -15.137 -7.145 1.00 1.37 C ATOM 1555 C ILE A 95 14.860 -14.749 -6.755 1.00 1.43 C ATOM 1556 O ILE A 95 15.757 -15.593 -6.738 1.00 1.60 O ATOM 1557 CB ILE A 95 13.212 -15.321 -8.666 1.00 1.39 C ATOM 1558 CG1 ILE A 95 11.796 -15.876 -8.919 1.00 1.96 C ATOM 1559 CG2 ILE A 95 14.273 -16.247 -9.280 1.00 2.39 C ATOM 1560 CD1 ILE A 95 11.485 -16.128 -10.398 1.00 1.96 C ATOM 0 H ILE A 95 12.013 -13.585 -7.312 1.00 1.29 H new ATOM 0 HA ILE A 95 13.267 -16.114 -6.688 1.00 1.37 H new ATOM 0 HB ILE A 95 13.316 -14.349 -9.149 1.00 1.39 H new ATOM 0 HG12 ILE A 95 11.678 -16.809 -8.369 1.00 1.96 H new ATOM 0 HG13 ILE A 95 11.064 -15.175 -8.518 1.00 1.96 H new ATOM 0 HG21 ILE A 95 14.090 -16.352 -10.349 1.00 2.39 H new ATOM 0 HG22 ILE A 95 15.264 -15.821 -9.122 1.00 2.39 H new ATOM 0 HG23 ILE A 95 14.219 -17.227 -8.805 1.00 2.39 H new ATOM 0 HD11 ILE A 95 10.472 -16.518 -10.495 1.00 1.96 H new ATOM 0 HD12 ILE A 95 11.569 -15.193 -10.952 1.00 1.96 H new ATOM 0 HD13 ILE A 95 12.193 -16.853 -10.800 1.00 1.96 H new ATOM 1572 N ARG A 96 15.084 -13.473 -6.428 1.00 1.38 N ATOM 1573 CA ARG A 96 16.356 -12.956 -5.950 1.00 1.53 C ATOM 1574 C ARG A 96 17.552 -13.407 -6.784 1.00 1.91 C ATOM 1575 O ARG A 96 18.562 -13.858 -6.246 1.00 3.04 O ATOM 1576 CB ARG A 96 16.509 -13.193 -4.455 1.00 1.83 C ATOM 1577 CG ARG A 96 17.474 -12.205 -3.770 1.00 2.32 C ATOM 1578 CD ARG A 96 16.956 -10.758 -3.641 1.00 3.47 C ATOM 1579 NE ARG A 96 17.221 -9.913 -4.820 1.00 4.44 N ATOM 1580 CZ ARG A 96 16.337 -9.430 -5.716 1.00 5.76 C ATOM 1581 NH1 ARG A 96 15.040 -9.756 -5.688 1.00 6.47 N ATOM 1582 NH2 ARG A 96 16.785 -8.636 -6.692 1.00 6.98 N ATOM 0 H ARG A 96 14.361 -12.756 -6.493 1.00 1.38 H new ATOM 0 HA ARG A 96 16.344 -11.876 -6.094 1.00 1.53 H new ATOM 0 HB2 ARG A 96 15.530 -13.119 -3.982 1.00 1.83 H new ATOM 0 HB3 ARG A 96 16.866 -14.210 -4.291 1.00 1.83 H new ATOM 0 HG2 ARG A 96 17.705 -12.581 -2.773 1.00 2.32 H new ATOM 0 HG3 ARG A 96 18.409 -12.190 -4.329 1.00 2.32 H new ATOM 0 HD2 ARG A 96 15.881 -10.784 -3.461 1.00 3.47 H new ATOM 0 HD3 ARG A 96 17.415 -10.296 -2.767 1.00 3.47 H new ATOM 0 HE ARG A 96 18.197 -9.662 -4.978 1.00 4.44 H new ATOM 0 HH11 ARG A 96 14.689 -10.391 -4.971 1.00 6.47 H new ATOM 0 HH12 ARG A 96 14.402 -9.370 -6.384 1.00 6.47 H new ATOM 0 HH21 ARG A 96 17.777 -8.407 -6.748 1.00 6.98 H new ATOM 0 HH22 ARG A 96 16.135 -8.259 -7.381 1.00 6.98 H new ATOM 1596 N LYS A 97 17.439 -13.284 -8.110 1.00 1.82 N ATOM 1597 CA LYS A 97 18.518 -13.606 -9.038 1.00 2.14 C ATOM 1598 C LYS A 97 18.761 -15.115 -9.195 1.00 2.77 C ATOM 1599 O LYS A 97 19.597 -15.482 -10.024 1.00 3.70 O ATOM 1600 CB LYS A 97 19.818 -12.858 -8.686 1.00 2.39 C ATOM 1601 CG LYS A 97 20.656 -12.531 -9.936 1.00 2.99 C ATOM 1602 CD LYS A 97 22.165 -12.541 -9.640 1.00 3.70 C ATOM 1603 CE LYS A 97 22.834 -13.889 -9.963 1.00 3.91 C ATOM 1604 NZ LYS A 97 22.163 -15.045 -9.332 1.00 4.30 N ATOM 0 H LYS A 97 16.589 -12.956 -8.569 1.00 1.82 H new ATOM 0 HA LYS A 97 18.182 -13.253 -10.013 1.00 2.14 H new ATOM 0 HB2 LYS A 97 19.573 -11.934 -8.162 1.00 2.39 H new ATOM 0 HB3 LYS A 97 20.411 -13.465 -8.002 1.00 2.39 H new ATOM 0 HG2 LYS A 97 20.436 -13.256 -10.719 1.00 2.99 H new ATOM 0 HG3 LYS A 97 20.369 -11.552 -10.319 1.00 2.99 H new ATOM 0 HD2 LYS A 97 22.648 -11.754 -10.219 1.00 3.70 H new ATOM 0 HD3 LYS A 97 22.324 -12.306 -8.588 1.00 3.70 H new ATOM 0 HE2 LYS A 97 22.845 -14.031 -11.044 1.00 3.91 H new ATOM 0 HE3 LYS A 97 23.873 -13.858 -9.635 1.00 3.91 H new ATOM 0 HZ1 LYS A 97 22.728 -15.903 -9.490 1.00 4.30 H new ATOM 0 HZ2 LYS A 97 22.069 -14.876 -8.310 1.00 4.30 H new ATOM 0 HZ3 LYS A 97 21.219 -15.170 -9.751 1.00 4.30 H new ATOM 1618 N LYS A 98 18.219 -15.956 -8.310 1.00 2.86 N ATOM 1619 CA LYS A 98 18.375 -17.399 -8.371 1.00 3.69 C ATOM 1620 C LYS A 98 17.256 -17.950 -9.264 1.00 3.38 C ATOM 1621 O LYS A 98 16.490 -18.812 -8.775 1.00 3.96 O ATOM 1622 CB LYS A 98 18.337 -17.946 -6.935 1.00 5.31 C ATOM 1623 CG LYS A 98 18.722 -19.433 -6.849 1.00 6.40 C ATOM 1624 CD LYS A 98 18.115 -20.113 -5.611 1.00 7.81 C ATOM 1625 CE LYS A 98 16.729 -20.726 -5.884 1.00 8.36 C ATOM 1626 NZ LYS A 98 15.761 -19.756 -6.434 1.00 8.30 N ATOM 1627 OXT LYS A 98 17.162 -17.478 -10.415 1.00 3.92 O ATOM 0 H LYS A 98 17.652 -15.642 -7.522 1.00 2.86 H new ATOM 0 HA LYS A 98 19.326 -17.706 -8.806 1.00 3.69 H new ATOM 0 HB2 LYS A 98 19.016 -17.364 -6.312 1.00 5.31 H new ATOM 0 HB3 LYS A 98 17.335 -17.811 -6.527 1.00 5.31 H new ATOM 0 HG2 LYS A 98 18.384 -19.948 -7.748 1.00 6.40 H new ATOM 0 HG3 LYS A 98 19.808 -19.525 -6.818 1.00 6.40 H new ATOM 0 HD2 LYS A 98 18.791 -20.895 -5.264 1.00 7.81 H new ATOM 0 HD3 LYS A 98 18.032 -19.383 -4.806 1.00 7.81 H new ATOM 0 HE2 LYS A 98 16.837 -21.556 -6.582 1.00 8.36 H new ATOM 0 HE3 LYS A 98 16.332 -21.139 -4.956 1.00 8.36 H new ATOM 0 HZ1 LYS A 98 14.820 -20.195 -6.485 1.00 8.30 H new ATOM 0 HZ2 LYS A 98 15.720 -18.919 -5.818 1.00 8.30 H new ATOM 0 HZ3 LYS A 98 16.061 -19.469 -7.388 1.00 8.30 H new TER 1641 LYS A 98 ATOM 1642 N MET B 1 11.043 -14.765 6.901 1.00 4.49 N ATOM 1643 CA MET B 1 9.745 -14.211 6.491 1.00 3.22 C ATOM 1644 C MET B 1 9.465 -14.730 5.081 1.00 3.03 C ATOM 1645 O MET B 1 9.000 -15.860 4.981 1.00 3.89 O ATOM 1646 CB MET B 1 9.736 -12.689 6.671 1.00 3.34 C ATOM 1647 CG MET B 1 8.417 -11.995 6.306 1.00 3.74 C ATOM 1648 SD MET B 1 6.930 -12.533 7.190 1.00 4.77 S ATOM 1649 CE MET B 1 6.287 -13.801 6.073 1.00 5.76 C ATOM 0 H1 MET B 1 11.274 -14.435 7.860 1.00 4.49 H new ATOM 0 H2 MET B 1 10.995 -15.804 6.894 1.00 4.49 H new ATOM 0 H3 MET B 1 11.780 -14.448 6.239 1.00 4.49 H new ATOM 0 HA MET B 1 8.917 -14.541 7.119 1.00 3.22 H new ATOM 0 HB2 MET B 1 9.972 -12.461 7.710 1.00 3.34 H new ATOM 0 HB3 MET B 1 10.533 -12.263 6.062 1.00 3.34 H new ATOM 0 HG2 MET B 1 8.541 -10.925 6.472 1.00 3.74 H new ATOM 0 HG3 MET B 1 8.245 -12.135 5.239 1.00 3.74 H new ATOM 0 HE1 MET B 1 5.215 -13.917 6.233 1.00 5.76 H new ATOM 0 HE2 MET B 1 6.470 -13.503 5.041 1.00 5.76 H new ATOM 0 HE3 MET B 1 6.788 -14.749 6.271 1.00 5.76 H new ATOM 1661 N ALA B 2 9.889 -14.015 4.034 1.00 2.61 N ATOM 1662 CA ALA B 2 9.924 -14.520 2.661 1.00 2.49 C ATOM 1663 C ALA B 2 11.168 -15.389 2.459 1.00 2.55 C ATOM 1664 O ALA B 2 11.975 -15.511 3.384 1.00 3.11 O ATOM 1665 CB ALA B 2 8.608 -15.177 2.229 1.00 3.04 C ATOM 0 H ALA B 2 10.222 -13.055 4.120 1.00 2.61 H new ATOM 0 HA ALA B 2 10.015 -13.674 1.980 1.00 2.49 H new ATOM 0 HB1 ALA B 2 8.698 -15.531 1.202 1.00 3.04 H new ATOM 0 HB2 ALA B 2 8.389 -16.019 2.885 1.00 3.04 H new ATOM 0 HB3 ALA B 2 7.800 -14.448 2.292 1.00 3.04 H new ATOM 1671 N ALA B 3 11.330 -15.989 1.269 1.00 2.47 N ATOM 1672 CA ALA B 3 12.619 -16.550 0.867 1.00 2.68 C ATOM 1673 C ALA B 3 13.063 -15.955 -0.475 1.00 2.24 C ATOM 1674 O ALA B 3 13.559 -16.651 -1.356 1.00 2.65 O ATOM 1675 CB ALA B 3 12.502 -18.078 0.806 1.00 3.52 C ATOM 0 H ALA B 3 10.588 -16.095 0.577 1.00 2.47 H new ATOM 0 HA ALA B 3 13.384 -16.293 1.599 1.00 2.68 H new ATOM 0 HB1 ALA B 3 13.459 -18.505 0.507 1.00 3.52 H new ATOM 0 HB2 ALA B 3 12.225 -18.461 1.788 1.00 3.52 H new ATOM 0 HB3 ALA B 3 11.738 -18.356 0.080 1.00 3.52 H new ATOM 1681 N GLU B 4 13.043 -14.625 -0.509 1.00 1.82 N ATOM 1682 CA GLU B 4 14.210 -13.774 -0.667 1.00 1.60 C ATOM 1683 C GLU B 4 14.316 -13.055 0.681 1.00 1.58 C ATOM 1684 O GLU B 4 13.500 -13.368 1.552 1.00 2.07 O ATOM 1685 CB GLU B 4 14.085 -12.854 -1.881 1.00 1.65 C ATOM 1686 CG GLU B 4 13.106 -11.673 -1.909 1.00 1.92 C ATOM 1687 CD GLU B 4 13.363 -10.860 -3.181 1.00 2.54 C ATOM 1688 OE1 GLU B 4 13.631 -11.483 -4.235 1.00 3.13 O ATOM 1689 OE2 GLU B 4 13.491 -9.620 -3.090 1.00 3.37 O ATOM 0 H GLU B 4 12.177 -14.093 -0.423 1.00 1.82 H new ATOM 0 HA GLU B 4 15.127 -14.320 -0.886 1.00 1.60 H new ATOM 0 HB2 GLU B 4 15.077 -12.444 -2.068 1.00 1.65 H new ATOM 0 HB3 GLU B 4 13.837 -13.488 -2.732 1.00 1.65 H new ATOM 0 HG2 GLU B 4 12.077 -12.033 -1.891 1.00 1.92 H new ATOM 0 HG3 GLU B 4 13.241 -11.048 -1.026 1.00 1.92 H new ATOM 1696 N PRO B 5 15.275 -12.151 0.934 1.00 1.75 N ATOM 1697 CA PRO B 5 15.291 -11.362 2.169 1.00 2.04 C ATOM 1698 C PRO B 5 14.105 -10.366 2.301 1.00 1.78 C ATOM 1699 O PRO B 5 14.275 -9.241 2.768 1.00 2.07 O ATOM 1700 CB PRO B 5 16.673 -10.682 2.198 1.00 2.82 C ATOM 1701 CG PRO B 5 17.499 -11.439 1.149 1.00 2.58 C ATOM 1702 CD PRO B 5 16.456 -11.895 0.130 1.00 2.11 C ATOM 0 HA PRO B 5 15.146 -12.002 3.039 1.00 2.04 H new ATOM 0 HB2 PRO B 5 16.599 -9.622 1.955 1.00 2.82 H new ATOM 0 HB3 PRO B 5 17.128 -10.751 3.186 1.00 2.82 H new ATOM 0 HG2 PRO B 5 18.252 -10.797 0.692 1.00 2.58 H new ATOM 0 HG3 PRO B 5 18.027 -12.285 1.589 1.00 2.58 H new ATOM 0 HD2 PRO B 5 16.269 -11.128 -0.622 1.00 2.11 H new ATOM 0 HD3 PRO B 5 16.780 -12.790 -0.401 1.00 2.11 H new ATOM 1710 N LEU B 6 12.890 -10.794 1.937 1.00 1.46 N ATOM 1711 CA LEU B 6 11.634 -10.069 1.956 1.00 1.41 C ATOM 1712 C LEU B 6 11.122 -10.153 3.381 1.00 1.22 C ATOM 1713 O LEU B 6 10.936 -11.247 3.925 1.00 1.42 O ATOM 1714 CB LEU B 6 10.680 -10.757 0.961 1.00 1.56 C ATOM 1715 CG LEU B 6 9.160 -10.503 1.007 1.00 1.70 C ATOM 1716 CD1 LEU B 6 8.561 -11.327 -0.140 1.00 2.13 C ATOM 1717 CD2 LEU B 6 8.424 -10.939 2.283 1.00 3.19 C ATOM 0 H LEU B 6 12.760 -11.745 1.592 1.00 1.46 H new ATOM 0 HA LEU B 6 11.729 -9.023 1.663 1.00 1.41 H new ATOM 0 HB2 LEU B 6 11.017 -10.489 -0.040 1.00 1.56 H new ATOM 0 HB3 LEU B 6 10.827 -11.832 1.070 1.00 1.56 H new ATOM 0 HG LEU B 6 9.032 -9.422 0.949 1.00 1.70 H new ATOM 0 HD11 LEU B 6 7.480 -11.189 -0.161 1.00 2.13 H new ATOM 0 HD12 LEU B 6 8.988 -10.996 -1.087 1.00 2.13 H new ATOM 0 HD13 LEU B 6 8.789 -12.382 0.012 1.00 2.13 H new ATOM 0 HD21 LEU B 6 7.363 -10.706 2.189 1.00 3.19 H new ATOM 0 HD22 LEU B 6 8.548 -12.012 2.426 1.00 3.19 H new ATOM 0 HD23 LEU B 6 8.838 -10.409 3.141 1.00 3.19 H new ATOM 1729 N THR B 7 10.915 -8.977 3.966 1.00 1.17 N ATOM 1730 CA THR B 7 10.373 -8.776 5.297 1.00 1.17 C ATOM 1731 C THR B 7 8.951 -8.226 5.136 1.00 1.16 C ATOM 1732 O THR B 7 8.605 -7.751 4.052 1.00 1.23 O ATOM 1733 CB THR B 7 11.315 -7.806 6.025 1.00 1.20 C ATOM 1734 OG1 THR B 7 12.643 -8.283 5.927 1.00 1.58 O ATOM 1735 CG2 THR B 7 10.977 -7.624 7.504 1.00 1.24 C ATOM 0 H THR B 7 11.133 -8.098 3.498 1.00 1.17 H new ATOM 0 HA THR B 7 10.309 -9.691 5.886 1.00 1.17 H new ATOM 0 HB THR B 7 11.196 -6.837 5.541 1.00 1.20 H new ATOM 0 HG1 THR B 7 13.247 -7.665 6.389 1.00 1.58 H new ATOM 0 HG21 THR B 7 11.682 -6.926 7.955 1.00 1.24 H new ATOM 0 HG22 THR B 7 9.965 -7.230 7.600 1.00 1.24 H new ATOM 0 HG23 THR B 7 11.042 -8.586 8.013 1.00 1.24 H new ATOM 1743 N GLU B 8 8.143 -8.260 6.200 1.00 1.22 N ATOM 1744 CA GLU B 8 6.753 -7.785 6.249 1.00 1.36 C ATOM 1745 C GLU B 8 6.516 -6.474 5.473 1.00 1.35 C ATOM 1746 O GLU B 8 5.472 -6.287 4.847 1.00 1.50 O ATOM 1747 CB GLU B 8 6.242 -7.652 7.711 1.00 1.52 C ATOM 1748 CG GLU B 8 6.722 -7.757 9.187 1.00 2.88 C ATOM 1749 CD GLU B 8 7.694 -8.880 9.544 1.00 2.76 C ATOM 1750 OE1 GLU B 8 8.554 -9.187 8.686 1.00 3.20 O ATOM 1751 OE2 GLU B 8 7.544 -9.401 10.672 1.00 3.41 O ATOM 0 H GLU B 8 8.454 -8.638 7.095 1.00 1.22 H new ATOM 0 HA GLU B 8 6.171 -8.555 5.742 1.00 1.36 H new ATOM 0 HB2 GLU B 8 5.816 -6.649 7.697 1.00 1.52 H new ATOM 0 HB3 GLU B 8 5.407 -8.353 7.709 1.00 1.52 H new ATOM 0 HG2 GLU B 8 7.192 -6.810 9.454 1.00 2.88 H new ATOM 0 HG3 GLU B 8 5.840 -7.864 9.819 1.00 2.88 H new ATOM 1758 N LEU B 9 7.482 -5.554 5.554 1.00 1.30 N ATOM 1759 CA LEU B 9 7.595 -4.365 4.719 1.00 1.44 C ATOM 1760 C LEU B 9 7.241 -4.585 3.254 1.00 1.35 C ATOM 1761 O LEU B 9 6.258 -4.067 2.725 1.00 1.58 O ATOM 1762 CB LEU B 9 7.185 -3.026 5.337 1.00 1.54 C ATOM 1763 CG LEU B 9 8.268 -2.518 6.309 1.00 1.37 C ATOM 1764 CD1 LEU B 9 7.957 -1.074 6.665 1.00 2.69 C ATOM 1765 CD2 LEU B 9 8.412 -3.366 7.576 1.00 1.80 C ATOM 0 H LEU B 9 8.238 -5.625 6.235 1.00 1.30 H new ATOM 0 HA LEU B 9 8.673 -4.205 4.691 1.00 1.44 H new ATOM 0 HB2 LEU B 9 7.023 -2.291 4.549 1.00 1.54 H new ATOM 0 HB3 LEU B 9 6.239 -3.139 5.866 1.00 1.54 H new ATOM 0 HG LEU B 9 9.229 -2.597 5.800 1.00 1.37 H new ATOM 0 HD11 LEU B 9 8.714 -0.698 7.353 1.00 2.69 H new ATOM 0 HD12 LEU B 9 7.957 -0.468 5.759 1.00 2.69 H new ATOM 0 HD13 LEU B 9 6.977 -1.019 7.139 1.00 2.69 H new ATOM 0 HD21 LEU B 9 9.193 -2.945 8.209 1.00 1.80 H new ATOM 0 HD22 LEU B 9 7.467 -3.371 8.120 1.00 1.80 H new ATOM 0 HD23 LEU B 9 8.678 -4.387 7.302 1.00 1.80 H new ATOM 1777 N GLU B 10 8.086 -5.401 2.631 1.00 1.14 N ATOM 1778 CA GLU B 10 7.990 -5.759 1.220 1.00 1.16 C ATOM 1779 C GLU B 10 6.868 -6.759 0.989 1.00 1.18 C ATOM 1780 O GLU B 10 6.152 -6.629 0.002 1.00 1.24 O ATOM 1781 CB GLU B 10 9.330 -6.243 0.661 1.00 1.08 C ATOM 1782 CG GLU B 10 9.392 -6.167 -0.876 1.00 1.33 C ATOM 1783 CD GLU B 10 8.560 -7.200 -1.613 1.00 2.12 C ATOM 1784 OE1 GLU B 10 8.862 -8.397 -1.465 1.00 3.08 O ATOM 1785 OE2 GLU B 10 7.670 -6.756 -2.376 1.00 3.29 O ATOM 0 H GLU B 10 8.875 -5.842 3.104 1.00 1.14 H new ATOM 0 HA GLU B 10 7.738 -4.857 0.663 1.00 1.16 H new ATOM 0 HB2 GLU B 10 10.135 -5.641 1.084 1.00 1.08 H new ATOM 0 HB3 GLU B 10 9.501 -7.272 0.978 1.00 1.08 H new ATOM 0 HG2 GLU B 10 9.067 -5.174 -1.187 1.00 1.33 H new ATOM 0 HG3 GLU B 10 10.431 -6.274 -1.186 1.00 1.33 H new ATOM 1792 N GLU B 11 6.656 -7.697 1.917 1.00 1.21 N ATOM 1793 CA GLU B 11 5.501 -8.593 1.854 1.00 1.37 C ATOM 1794 C GLU B 11 4.209 -7.877 1.420 1.00 1.25 C ATOM 1795 O GLU B 11 3.422 -8.431 0.654 1.00 1.34 O ATOM 1796 CB GLU B 11 5.296 -9.289 3.204 1.00 1.83 C ATOM 1797 CG GLU B 11 4.418 -10.542 3.064 1.00 2.09 C ATOM 1798 CD GLU B 11 4.285 -11.298 4.380 1.00 3.14 C ATOM 1799 OE1 GLU B 11 4.447 -10.643 5.430 1.00 4.21 O ATOM 1800 OE2 GLU B 11 4.043 -12.521 4.307 1.00 3.55 O ATOM 0 H GLU B 11 7.268 -7.854 2.718 1.00 1.21 H new ATOM 0 HA GLU B 11 5.720 -9.337 1.088 1.00 1.37 H new ATOM 0 HB2 GLU B 11 6.264 -9.566 3.622 1.00 1.83 H new ATOM 0 HB3 GLU B 11 4.833 -8.595 3.906 1.00 1.83 H new ATOM 0 HG2 GLU B 11 3.428 -10.253 2.711 1.00 2.09 H new ATOM 0 HG3 GLU B 11 4.846 -11.202 2.309 1.00 2.09 H new ATOM 1807 N SER B 12 3.981 -6.629 1.857 1.00 1.16 N ATOM 1808 CA SER B 12 2.761 -5.929 1.472 1.00 1.11 C ATOM 1809 C SER B 12 2.775 -5.655 -0.033 1.00 0.92 C ATOM 1810 O SER B 12 1.769 -5.771 -0.732 1.00 0.97 O ATOM 1811 CB SER B 12 2.653 -4.621 2.263 1.00 1.31 C ATOM 1812 OG SER B 12 1.514 -3.896 1.843 1.00 2.84 O ATOM 0 H SER B 12 4.611 -6.101 2.461 1.00 1.16 H new ATOM 0 HA SER B 12 1.893 -6.548 1.700 1.00 1.11 H new ATOM 0 HB2 SER B 12 2.585 -4.836 3.330 1.00 1.31 H new ATOM 0 HB3 SER B 12 3.551 -4.021 2.115 1.00 1.31 H new ATOM 0 HG SER B 12 1.769 -2.970 1.647 1.00 2.84 H new ATOM 1818 N ILE B 13 3.943 -5.268 -0.524 1.00 0.79 N ATOM 1819 CA ILE B 13 4.147 -4.712 -1.839 1.00 0.78 C ATOM 1820 C ILE B 13 3.976 -5.814 -2.878 1.00 0.76 C ATOM 1821 O ILE B 13 3.131 -5.687 -3.767 1.00 0.74 O ATOM 1822 CB ILE B 13 5.523 -4.028 -1.871 1.00 0.80 C ATOM 1823 CG1 ILE B 13 5.578 -3.033 -0.701 1.00 0.97 C ATOM 1824 CG2 ILE B 13 5.811 -3.317 -3.200 1.00 0.79 C ATOM 1825 CD1 ILE B 13 6.918 -2.339 -0.597 1.00 0.87 C ATOM 0 H ILE B 13 4.808 -5.339 0.013 1.00 0.79 H new ATOM 0 HA ILE B 13 3.408 -3.948 -2.080 1.00 0.78 H new ATOM 0 HB ILE B 13 6.294 -4.792 -1.775 1.00 0.80 H new ATOM 0 HG12 ILE B 13 4.794 -2.286 -0.825 1.00 0.97 H new ATOM 0 HG13 ILE B 13 5.371 -3.560 0.231 1.00 0.97 H new ATOM 0 HG21 ILE B 13 6.797 -2.854 -3.159 1.00 0.79 H new ATOM 0 HG22 ILE B 13 5.784 -4.042 -4.014 1.00 0.79 H new ATOM 0 HG23 ILE B 13 5.057 -2.549 -3.373 1.00 0.79 H new ATOM 0 HD11 ILE B 13 6.905 -1.647 0.245 1.00 0.87 H new ATOM 0 HD12 ILE B 13 7.701 -3.081 -0.444 1.00 0.87 H new ATOM 0 HD13 ILE B 13 7.115 -1.788 -1.517 1.00 0.87 H new ATOM 1837 N GLU B 14 4.749 -6.900 -2.754 1.00 0.83 N ATOM 1838 CA GLU B 14 4.581 -8.060 -3.618 1.00 0.88 C ATOM 1839 C GLU B 14 3.133 -8.573 -3.594 1.00 0.96 C ATOM 1840 O GLU B 14 2.596 -8.944 -4.638 1.00 1.05 O ATOM 1841 CB GLU B 14 5.619 -9.137 -3.313 1.00 1.11 C ATOM 1842 CG GLU B 14 5.458 -9.787 -1.937 1.00 1.55 C ATOM 1843 CD GLU B 14 4.904 -11.204 -2.014 1.00 2.50 C ATOM 1844 OE1 GLU B 14 4.225 -11.541 -3.012 1.00 2.99 O ATOM 1845 OE2 GLU B 14 5.261 -12.034 -1.150 1.00 3.59 O ATOM 0 H GLU B 14 5.494 -6.993 -2.063 1.00 0.83 H new ATOM 0 HA GLU B 14 4.768 -7.751 -4.646 1.00 0.88 H new ATOM 0 HB2 GLU B 14 5.559 -9.911 -4.078 1.00 1.11 H new ATOM 0 HB3 GLU B 14 6.614 -8.697 -3.381 1.00 1.11 H new ATOM 0 HG2 GLU B 14 6.425 -9.807 -1.434 1.00 1.55 H new ATOM 0 HG3 GLU B 14 4.794 -9.175 -1.327 1.00 1.55 H new ATOM 1852 N THR B 15 2.476 -8.519 -2.431 1.00 0.99 N ATOM 1853 CA THR B 15 1.073 -8.895 -2.286 1.00 1.10 C ATOM 1854 C THR B 15 0.175 -7.960 -3.102 1.00 1.03 C ATOM 1855 O THR B 15 -0.687 -8.430 -3.840 1.00 1.14 O ATOM 1856 CB THR B 15 0.657 -8.988 -0.809 1.00 1.23 C ATOM 1857 OG1 THR B 15 1.405 -10.015 -0.194 1.00 1.28 O ATOM 1858 CG2 THR B 15 -0.824 -9.350 -0.649 1.00 1.34 C ATOM 0 H THR B 15 2.909 -8.211 -1.560 1.00 0.99 H new ATOM 0 HA THR B 15 0.944 -9.897 -2.694 1.00 1.10 H new ATOM 0 HB THR B 15 0.836 -8.013 -0.355 1.00 1.23 H new ATOM 0 HG1 THR B 15 2.221 -9.637 0.196 1.00 1.28 H new ATOM 0 HG21 THR B 15 -1.073 -9.405 0.411 1.00 1.34 H new ATOM 0 HG22 THR B 15 -1.439 -8.587 -1.127 1.00 1.34 H new ATOM 0 HG23 THR B 15 -1.015 -10.316 -1.117 1.00 1.34 H new ATOM 1866 N VAL B 16 0.362 -6.641 -3.026 1.00 0.89 N ATOM 1867 CA VAL B 16 -0.417 -5.723 -3.841 1.00 0.82 C ATOM 1868 C VAL B 16 -0.239 -6.046 -5.331 1.00 0.83 C ATOM 1869 O VAL B 16 -1.225 -6.243 -6.044 1.00 0.92 O ATOM 1870 CB VAL B 16 -0.051 -4.271 -3.497 1.00 0.70 C ATOM 1871 CG1 VAL B 16 -0.599 -3.323 -4.562 1.00 0.66 C ATOM 1872 CG2 VAL B 16 -0.643 -3.865 -2.143 1.00 0.86 C ATOM 0 H VAL B 16 1.042 -6.193 -2.412 1.00 0.89 H new ATOM 0 HA VAL B 16 -1.477 -5.846 -3.619 1.00 0.82 H new ATOM 0 HB VAL B 16 1.036 -4.205 -3.455 1.00 0.70 H new ATOM 0 HG11 VAL B 16 -0.333 -2.297 -4.307 1.00 0.66 H new ATOM 0 HG12 VAL B 16 -0.171 -3.579 -5.531 1.00 0.66 H new ATOM 0 HG13 VAL B 16 -1.684 -3.416 -4.608 1.00 0.66 H new ATOM 0 HG21 VAL B 16 -0.370 -2.833 -1.921 1.00 0.86 H new ATOM 0 HG22 VAL B 16 -1.729 -3.954 -2.179 1.00 0.86 H new ATOM 0 HG23 VAL B 16 -0.252 -4.519 -1.364 1.00 0.86 H new ATOM 1882 N VAL B 17 1.001 -6.094 -5.828 1.00 0.81 N ATOM 1883 CA VAL B 17 1.214 -6.336 -7.256 1.00 0.95 C ATOM 1884 C VAL B 17 0.732 -7.740 -7.668 1.00 1.12 C ATOM 1885 O VAL B 17 0.184 -7.910 -8.759 1.00 1.30 O ATOM 1886 CB VAL B 17 2.647 -6.000 -7.702 1.00 0.86 C ATOM 1887 CG1 VAL B 17 2.985 -4.520 -7.469 1.00 1.02 C ATOM 1888 CG2 VAL B 17 3.687 -6.842 -6.979 1.00 0.81 C ATOM 0 H VAL B 17 1.852 -5.972 -5.278 1.00 0.81 H new ATOM 0 HA VAL B 17 0.587 -5.637 -7.810 1.00 0.95 H new ATOM 0 HB VAL B 17 2.679 -6.223 -8.769 1.00 0.86 H new ATOM 0 HG11 VAL B 17 4.006 -4.324 -7.797 1.00 1.02 H new ATOM 0 HG12 VAL B 17 2.295 -3.896 -8.037 1.00 1.02 H new ATOM 0 HG13 VAL B 17 2.894 -4.289 -6.408 1.00 1.02 H new ATOM 0 HG21 VAL B 17 4.683 -6.568 -7.328 1.00 0.81 H new ATOM 0 HG22 VAL B 17 3.617 -6.665 -5.906 1.00 0.81 H new ATOM 0 HG23 VAL B 17 3.508 -7.897 -7.185 1.00 0.81 H new ATOM 1898 N THR B 18 0.861 -8.732 -6.785 1.00 1.17 N ATOM 1899 CA THR B 18 0.216 -10.029 -6.938 1.00 1.47 C ATOM 1900 C THR B 18 -1.283 -9.835 -7.147 1.00 1.41 C ATOM 1901 O THR B 18 -1.857 -10.359 -8.095 1.00 1.53 O ATOM 1902 CB THR B 18 0.489 -10.895 -5.699 1.00 1.77 C ATOM 1903 OG1 THR B 18 1.820 -11.359 -5.733 1.00 2.46 O ATOM 1904 CG2 THR B 18 -0.506 -12.046 -5.541 1.00 1.62 C ATOM 0 H THR B 18 1.422 -8.653 -5.937 1.00 1.17 H new ATOM 0 HA THR B 18 0.623 -10.540 -7.810 1.00 1.47 H new ATOM 0 HB THR B 18 0.349 -10.268 -4.818 1.00 1.77 H new ATOM 0 HG1 THR B 18 2.417 -10.668 -5.377 1.00 2.46 H new ATOM 0 HG21 THR B 18 -0.259 -12.620 -4.648 1.00 1.62 H new ATOM 0 HG22 THR B 18 -1.515 -11.644 -5.447 1.00 1.62 H new ATOM 0 HG23 THR B 18 -0.454 -12.695 -6.415 1.00 1.62 H new ATOM 1912 N THR B 19 -1.924 -9.080 -6.261 1.00 1.26 N ATOM 1913 CA THR B 19 -3.354 -8.858 -6.313 1.00 1.23 C ATOM 1914 C THR B 19 -3.742 -8.158 -7.624 1.00 1.16 C ATOM 1915 O THR B 19 -4.737 -8.541 -8.232 1.00 1.19 O ATOM 1916 CB THR B 19 -3.783 -8.169 -5.012 1.00 1.25 C ATOM 1917 OG1 THR B 19 -3.756 -9.125 -3.972 1.00 1.38 O ATOM 1918 CG2 THR B 19 -5.179 -7.542 -5.066 1.00 1.25 C ATOM 0 H THR B 19 -1.460 -8.606 -5.486 1.00 1.26 H new ATOM 0 HA THR B 19 -3.918 -9.790 -6.351 1.00 1.23 H new ATOM 0 HB THR B 19 -3.083 -7.351 -4.843 1.00 1.25 H new ATOM 0 HG1 THR B 19 -2.843 -9.205 -3.625 1.00 1.38 H new ATOM 0 HG21 THR B 19 -5.406 -7.076 -4.107 1.00 1.25 H new ATOM 0 HG22 THR B 19 -5.209 -6.788 -5.852 1.00 1.25 H new ATOM 0 HG23 THR B 19 -5.917 -8.316 -5.277 1.00 1.25 H new ATOM 1926 N PHE B 20 -2.941 -7.210 -8.131 1.00 1.13 N ATOM 1927 CA PHE B 20 -3.108 -6.760 -9.517 1.00 1.18 C ATOM 1928 C PHE B 20 -3.042 -7.934 -10.501 1.00 1.46 C ATOM 1929 O PHE B 20 -3.874 -8.024 -11.400 1.00 1.68 O ATOM 1930 CB PHE B 20 -2.060 -5.717 -9.924 1.00 1.15 C ATOM 1931 CG PHE B 20 -2.375 -4.299 -9.513 1.00 0.79 C ATOM 1932 CD1 PHE B 20 -3.157 -3.484 -10.354 1.00 1.48 C ATOM 1933 CD2 PHE B 20 -1.829 -3.767 -8.331 1.00 1.87 C ATOM 1934 CE1 PHE B 20 -3.399 -2.150 -10.000 1.00 1.75 C ATOM 1935 CE2 PHE B 20 -1.999 -2.408 -8.027 1.00 1.66 C ATOM 1936 CZ PHE B 20 -2.770 -1.600 -8.875 1.00 0.93 C ATOM 0 H PHE B 20 -2.190 -6.751 -7.616 1.00 1.13 H new ATOM 0 HA PHE B 20 -4.095 -6.299 -9.561 1.00 1.18 H new ATOM 0 HB2 PHE B 20 -1.101 -6.000 -9.490 1.00 1.15 H new ATOM 0 HB3 PHE B 20 -1.941 -5.747 -11.007 1.00 1.15 H new ATOM 0 HD1 PHE B 20 -3.569 -3.886 -11.268 1.00 1.48 H new ATOM 0 HD2 PHE B 20 -1.278 -4.406 -7.656 1.00 1.87 H new ATOM 0 HE1 PHE B 20 -4.070 -1.546 -10.594 1.00 1.75 H new ATOM 0 HE2 PHE B 20 -1.539 -1.987 -7.145 1.00 1.66 H new ATOM 0 HZ PHE B 20 -2.880 -0.547 -8.660 1.00 0.93 H new ATOM 1946 N PHE B 21 -2.022 -8.791 -10.374 1.00 1.54 N ATOM 1947 CA PHE B 21 -1.862 -9.981 -11.212 1.00 1.86 C ATOM 1948 C PHE B 21 -3.126 -10.849 -11.189 1.00 1.86 C ATOM 1949 O PHE B 21 -3.537 -11.375 -12.223 1.00 2.19 O ATOM 1950 CB PHE B 21 -0.609 -10.776 -10.816 1.00 2.08 C ATOM 1951 CG PHE B 21 0.043 -11.488 -11.986 1.00 2.37 C ATOM 1952 CD1 PHE B 21 -0.528 -12.667 -12.501 1.00 2.83 C ATOM 1953 CD2 PHE B 21 1.170 -10.927 -12.616 1.00 3.13 C ATOM 1954 CE1 PHE B 21 0.028 -13.284 -13.635 1.00 3.39 C ATOM 1955 CE2 PHE B 21 1.731 -11.548 -13.746 1.00 3.60 C ATOM 1956 CZ PHE B 21 1.159 -12.726 -14.257 1.00 3.50 C ATOM 0 H PHE B 21 -1.281 -8.676 -9.682 1.00 1.54 H new ATOM 0 HA PHE B 21 -1.719 -9.651 -12.241 1.00 1.86 H new ATOM 0 HB2 PHE B 21 0.115 -10.099 -10.363 1.00 2.08 H new ATOM 0 HB3 PHE B 21 -0.878 -11.510 -10.057 1.00 2.08 H new ATOM 0 HD1 PHE B 21 -1.395 -13.099 -12.024 1.00 2.83 H new ATOM 0 HD2 PHE B 21 1.605 -10.017 -12.230 1.00 3.13 H new ATOM 0 HE1 PHE B 21 -0.414 -14.187 -14.029 1.00 3.39 H new ATOM 0 HE2 PHE B 21 2.601 -11.120 -14.221 1.00 3.60 H new ATOM 0 HZ PHE B 21 1.588 -13.202 -15.126 1.00 3.50 H new ATOM 1966 N THR B 22 -3.793 -10.934 -10.036 1.00 1.62 N ATOM 1967 CA THR B 22 -5.059 -11.637 -9.890 1.00 1.66 C ATOM 1968 C THR B 22 -6.152 -10.701 -10.415 1.00 1.41 C ATOM 1969 O THR B 22 -6.960 -10.153 -9.669 1.00 1.60 O ATOM 1970 CB THR B 22 -5.260 -11.999 -8.408 1.00 2.12 C ATOM 1971 OG1 THR B 22 -4.081 -12.604 -7.913 1.00 3.07 O ATOM 1972 CG2 THR B 22 -6.424 -12.976 -8.212 1.00 2.46 C ATOM 0 H THR B 22 -3.461 -10.510 -9.170 1.00 1.62 H new ATOM 0 HA THR B 22 -5.087 -12.569 -10.454 1.00 1.66 H new ATOM 0 HB THR B 22 -5.487 -11.079 -7.870 1.00 2.12 H new ATOM 0 HG1 THR B 22 -4.204 -12.835 -6.969 1.00 3.07 H new ATOM 0 HG21 THR B 22 -6.532 -13.206 -7.152 1.00 2.46 H new ATOM 0 HG22 THR B 22 -7.345 -12.524 -8.581 1.00 2.46 H new ATOM 0 HG23 THR B 22 -6.225 -13.895 -8.764 1.00 2.46 H new ATOM 1980 N PHE B 23 -6.135 -10.502 -11.733 1.00 1.89 N ATOM 1981 CA PHE B 23 -6.822 -9.397 -12.377 1.00 2.54 C ATOM 1982 C PHE B 23 -8.305 -9.720 -12.595 1.00 2.36 C ATOM 1983 O PHE B 23 -8.775 -10.822 -12.303 1.00 2.89 O ATOM 1984 CB PHE B 23 -6.087 -9.072 -13.689 1.00 3.66 C ATOM 1985 CG PHE B 23 -6.440 -7.736 -14.312 1.00 4.16 C ATOM 1986 CD1 PHE B 23 -6.174 -6.538 -13.621 1.00 4.70 C ATOM 1987 CD2 PHE B 23 -7.055 -7.688 -15.576 1.00 5.15 C ATOM 1988 CE1 PHE B 23 -6.580 -5.307 -14.163 1.00 5.69 C ATOM 1989 CE2 PHE B 23 -7.427 -6.455 -16.136 1.00 6.11 C ATOM 1990 CZ PHE B 23 -7.223 -5.266 -15.413 1.00 6.19 C ATOM 0 H PHE B 23 -5.639 -11.111 -12.383 1.00 1.89 H new ATOM 0 HA PHE B 23 -6.803 -8.515 -11.737 1.00 2.54 H new ATOM 0 HB2 PHE B 23 -5.014 -9.095 -13.501 1.00 3.66 H new ATOM 0 HB3 PHE B 23 -6.301 -9.860 -14.411 1.00 3.66 H new ATOM 0 HD1 PHE B 23 -5.657 -6.566 -12.673 1.00 4.70 H new ATOM 0 HD2 PHE B 23 -7.242 -8.603 -16.118 1.00 5.15 H new ATOM 0 HE1 PHE B 23 -6.398 -4.392 -13.619 1.00 5.69 H new ATOM 0 HE2 PHE B 23 -7.869 -6.420 -17.121 1.00 6.11 H new ATOM 0 HZ PHE B 23 -7.560 -4.323 -15.817 1.00 6.19 H new ATOM 2000 N ALA B 24 -9.058 -8.733 -13.088 1.00 2.73 N ATOM 2001 CA ALA B 24 -10.491 -8.840 -13.309 1.00 3.15 C ATOM 2002 C ALA B 24 -10.780 -9.832 -14.437 1.00 3.04 C ATOM 2003 O ALA B 24 -10.982 -9.425 -15.582 1.00 3.41 O ATOM 2004 CB ALA B 24 -11.060 -7.450 -13.612 1.00 4.09 C ATOM 0 H ALA B 24 -8.676 -7.824 -13.347 1.00 2.73 H new ATOM 0 HA ALA B 24 -10.978 -9.221 -12.412 1.00 3.15 H new ATOM 0 HB1 ALA B 24 -12.135 -7.525 -13.779 1.00 4.09 H new ATOM 0 HB2 ALA B 24 -10.869 -6.787 -12.768 1.00 4.09 H new ATOM 0 HB3 ALA B 24 -10.582 -7.048 -14.505 1.00 4.09 H new ATOM 2010 N ARG B 25 -10.807 -11.128 -14.100 1.00 3.23 N ATOM 2011 CA ARG B 25 -10.879 -12.239 -15.046 1.00 3.81 C ATOM 2012 C ARG B 25 -9.475 -12.454 -15.624 1.00 3.55 C ATOM 2013 O ARG B 25 -8.558 -11.676 -15.357 1.00 3.69 O ATOM 2014 CB ARG B 25 -11.925 -11.968 -16.146 1.00 4.66 C ATOM 2015 CG ARG B 25 -12.680 -13.193 -16.681 1.00 5.84 C ATOM 2016 CD ARG B 25 -13.406 -12.856 -17.995 1.00 6.95 C ATOM 2017 NE ARG B 25 -14.196 -11.611 -17.895 1.00 7.36 N ATOM 2018 CZ ARG B 25 -13.816 -10.379 -18.285 1.00 7.75 C ATOM 2019 NH1 ARG B 25 -12.650 -10.181 -18.912 1.00 7.76 N ATOM 2020 NH2 ARG B 25 -14.615 -9.333 -18.037 1.00 8.75 N ATOM 0 H ARG B 25 -10.778 -11.438 -13.129 1.00 3.23 H new ATOM 0 HA ARG B 25 -11.206 -13.148 -14.541 1.00 3.81 H new ATOM 0 HB2 ARG B 25 -12.655 -11.259 -15.757 1.00 4.66 H new ATOM 0 HB3 ARG B 25 -11.424 -11.482 -16.983 1.00 4.66 H new ATOM 0 HG2 ARG B 25 -11.981 -14.013 -16.846 1.00 5.84 H new ATOM 0 HG3 ARG B 25 -13.402 -13.534 -15.939 1.00 5.84 H new ATOM 0 HD2 ARG B 25 -12.674 -12.756 -18.797 1.00 6.95 H new ATOM 0 HD3 ARG B 25 -14.065 -13.681 -18.266 1.00 6.95 H new ATOM 0 HE ARG B 25 -15.127 -11.693 -17.488 1.00 7.36 H new ATOM 0 HH11 ARG B 25 -12.033 -10.970 -19.102 1.00 7.76 H new ATOM 0 HH12 ARG B 25 -12.379 -9.241 -19.200 1.00 7.76 H new ATOM 0 HH21 ARG B 25 -15.504 -9.473 -17.556 1.00 8.75 H new ATOM 0 HH22 ARG B 25 -14.335 -8.397 -18.329 1.00 8.75 H new ATOM 2034 N GLN B 26 -9.302 -13.468 -16.476 1.00 4.10 N ATOM 2035 CA GLN B 26 -8.027 -13.713 -17.142 1.00 4.32 C ATOM 2036 C GLN B 26 -7.917 -12.765 -18.345 1.00 4.00 C ATOM 2037 O GLN B 26 -7.747 -13.188 -19.484 1.00 4.72 O ATOM 2038 CB GLN B 26 -7.919 -15.202 -17.528 1.00 5.88 C ATOM 2039 CG GLN B 26 -9.113 -15.751 -18.330 1.00 6.92 C ATOM 2040 CD GLN B 26 -8.863 -17.177 -18.814 1.00 8.45 C ATOM 2041 OE1 GLN B 26 -8.792 -17.433 -20.009 1.00 9.20 O ATOM 2042 NE2 GLN B 26 -8.745 -18.125 -17.889 1.00 9.38 N ATOM 0 H GLN B 26 -10.035 -14.134 -16.720 1.00 4.10 H new ATOM 0 HA GLN B 26 -7.187 -13.506 -16.479 1.00 4.32 H new ATOM 0 HB2 GLN B 26 -7.010 -15.346 -18.112 1.00 5.88 H new ATOM 0 HB3 GLN B 26 -7.809 -15.791 -16.618 1.00 5.88 H new ATOM 0 HG2 GLN B 26 -10.009 -15.730 -17.709 1.00 6.92 H new ATOM 0 HG3 GLN B 26 -9.304 -15.105 -19.187 1.00 6.92 H new ATOM 0 HE21 GLN B 26 -8.808 -17.883 -16.900 1.00 9.38 H new ATOM 0 HE22 GLN B 26 -8.591 -19.094 -18.168 1.00 9.38 H new ATOM 2051 N GLU B 27 -7.998 -11.463 -18.060 1.00 3.79 N ATOM 2052 CA GLU B 27 -7.982 -10.376 -19.025 1.00 4.24 C ATOM 2053 C GLU B 27 -6.594 -9.731 -18.932 1.00 3.50 C ATOM 2054 O GLU B 27 -6.443 -8.565 -18.569 1.00 3.99 O ATOM 2055 CB GLU B 27 -9.154 -9.430 -18.685 1.00 5.62 C ATOM 2056 CG GLU B 27 -9.763 -8.753 -19.919 1.00 6.64 C ATOM 2057 CD GLU B 27 -8.764 -7.837 -20.609 1.00 7.04 C ATOM 2058 OE1 GLU B 27 -7.969 -8.377 -21.407 1.00 7.05 O ATOM 2059 OE2 GLU B 27 -8.825 -6.623 -20.321 1.00 7.85 O ATOM 0 H GLU B 27 -8.080 -11.128 -17.100 1.00 3.79 H new ATOM 0 HA GLU B 27 -8.130 -10.688 -20.059 1.00 4.24 H new ATOM 0 HB2 GLU B 27 -9.930 -9.995 -18.169 1.00 5.62 H new ATOM 0 HB3 GLU B 27 -8.804 -8.663 -17.994 1.00 5.62 H new ATOM 0 HG2 GLU B 27 -10.104 -9.514 -20.621 1.00 6.64 H new ATOM 0 HG3 GLU B 27 -10.640 -8.177 -19.623 1.00 6.64 H new ATOM 2066 N GLY B 28 -5.565 -10.548 -19.177 1.00 3.01 N ATOM 2067 CA GLY B 28 -4.178 -10.192 -18.916 1.00 2.78 C ATOM 2068 C GLY B 28 -4.011 -9.554 -17.532 1.00 2.77 C ATOM 2069 O GLY B 28 -4.567 -10.036 -16.546 1.00 3.61 O ATOM 0 H GLY B 28 -5.679 -11.484 -19.566 1.00 3.01 H new ATOM 0 HA2 GLY B 28 -3.554 -11.083 -18.984 1.00 2.78 H new ATOM 0 HA3 GLY B 28 -3.829 -9.499 -19.682 1.00 2.78 H new ATOM 2073 N ARG B 29 -3.252 -8.457 -17.472 1.00 2.21 N ATOM 2074 CA ARG B 29 -3.145 -7.587 -16.313 1.00 2.21 C ATOM 2075 C ARG B 29 -2.813 -6.197 -16.847 1.00 2.02 C ATOM 2076 O ARG B 29 -1.676 -5.960 -17.258 1.00 1.85 O ATOM 2077 CB ARG B 29 -2.070 -8.101 -15.344 1.00 2.27 C ATOM 2078 CG ARG B 29 -1.924 -7.181 -14.119 1.00 2.42 C ATOM 2079 CD ARG B 29 -0.500 -6.636 -13.945 1.00 2.76 C ATOM 2080 NE ARG B 29 -0.127 -5.776 -15.079 1.00 3.33 N ATOM 2081 CZ ARG B 29 0.441 -4.563 -15.035 1.00 4.61 C ATOM 2082 NH1 ARG B 29 0.827 -3.990 -13.893 1.00 5.42 N ATOM 2083 NH2 ARG B 29 0.591 -3.859 -16.152 1.00 5.76 N ATOM 0 H ARG B 29 -2.680 -8.146 -18.257 1.00 2.21 H new ATOM 0 HA ARG B 29 -4.074 -7.562 -15.744 1.00 2.21 H new ATOM 0 HB2 ARG B 29 -2.328 -9.108 -15.015 1.00 2.27 H new ATOM 0 HB3 ARG B 29 -1.114 -8.170 -15.864 1.00 2.27 H new ATOM 0 HG2 ARG B 29 -2.618 -6.346 -14.214 1.00 2.42 H new ATOM 0 HG3 ARG B 29 -2.209 -7.731 -13.222 1.00 2.42 H new ATOM 0 HD2 ARG B 29 -0.434 -6.070 -13.016 1.00 2.76 H new ATOM 0 HD3 ARG B 29 0.204 -7.464 -13.864 1.00 2.76 H new ATOM 0 HE ARG B 29 -0.324 -6.147 -16.009 1.00 3.33 H new ATOM 0 HH11 ARG B 29 0.694 -4.478 -13.007 1.00 5.42 H new ATOM 0 HH12 ARG B 29 1.256 -3.064 -13.906 1.00 5.42 H new ATOM 0 HH21 ARG B 29 0.274 -4.242 -17.043 1.00 5.76 H new ATOM 0 HH22 ARG B 29 1.023 -2.936 -16.119 1.00 5.76 H new ATOM 2097 N LYS B 30 -3.802 -5.302 -16.860 1.00 2.30 N ATOM 2098 CA LYS B 30 -3.739 -4.017 -17.544 1.00 2.48 C ATOM 2099 C LYS B 30 -2.597 -3.141 -17.001 1.00 1.98 C ATOM 2100 O LYS B 30 -1.493 -3.172 -17.545 1.00 2.46 O ATOM 2101 CB LYS B 30 -5.133 -3.383 -17.448 1.00 3.18 C ATOM 2102 CG LYS B 30 -5.255 -2.069 -18.217 1.00 3.31 C ATOM 2103 CD LYS B 30 -6.691 -1.554 -18.051 1.00 4.29 C ATOM 2104 CE LYS B 30 -6.858 -0.145 -18.621 1.00 4.19 C ATOM 2105 NZ LYS B 30 -5.983 0.827 -17.942 1.00 4.54 N ATOM 0 H LYS B 30 -4.690 -5.458 -16.382 1.00 2.30 H new ATOM 0 HA LYS B 30 -3.490 -4.137 -18.598 1.00 2.48 H new ATOM 0 HB2 LYS B 30 -5.872 -4.088 -17.828 1.00 3.18 H new ATOM 0 HB3 LYS B 30 -5.372 -3.206 -16.399 1.00 3.18 H new ATOM 0 HG2 LYS B 30 -4.542 -1.338 -17.837 1.00 3.31 H new ATOM 0 HG3 LYS B 30 -5.024 -2.222 -19.271 1.00 3.31 H new ATOM 0 HD2 LYS B 30 -7.381 -2.233 -18.552 1.00 4.29 H new ATOM 0 HD3 LYS B 30 -6.957 -1.552 -16.994 1.00 4.29 H new ATOM 0 HE2 LYS B 30 -6.632 -0.155 -19.687 1.00 4.19 H new ATOM 0 HE3 LYS B 30 -7.897 0.168 -18.519 1.00 4.19 H new ATOM 0 HZ1 LYS B 30 -6.125 1.770 -18.356 1.00 4.54 H new ATOM 0 HZ2 LYS B 30 -6.216 0.855 -16.929 1.00 4.54 H new ATOM 0 HZ3 LYS B 30 -4.990 0.542 -18.061 1.00 4.54 H new ATOM 2119 N ASP B 31 -2.845 -2.375 -15.930 1.00 1.64 N ATOM 2120 CA ASP B 31 -1.837 -1.698 -15.109 1.00 1.27 C ATOM 2121 C ASP B 31 -2.533 -1.129 -13.880 1.00 1.06 C ATOM 2122 O ASP B 31 -2.177 -1.444 -12.751 1.00 1.49 O ATOM 2123 CB ASP B 31 -1.046 -0.600 -15.861 1.00 1.61 C ATOM 2124 CG ASP B 31 0.473 -0.669 -15.673 1.00 2.00 C ATOM 2125 OD1 ASP B 31 0.971 -1.546 -14.920 1.00 2.88 O ATOM 2126 OD2 ASP B 31 1.181 0.130 -16.334 1.00 2.76 O ATOM 0 H ASP B 31 -3.795 -2.204 -15.600 1.00 1.64 H new ATOM 0 HA ASP B 31 -1.085 -2.435 -14.826 1.00 1.27 H new ATOM 0 HB2 ASP B 31 -1.271 -0.672 -16.925 1.00 1.61 H new ATOM 0 HB3 ASP B 31 -1.397 0.376 -15.526 1.00 1.61 H new ATOM 2131 N SER B 32 -3.563 -0.320 -14.132 1.00 1.06 N ATOM 2132 CA SER B 32 -4.679 -0.102 -13.235 1.00 1.13 C ATOM 2133 C SER B 32 -5.871 0.387 -14.067 1.00 1.31 C ATOM 2134 O SER B 32 -5.872 0.245 -15.298 1.00 1.57 O ATOM 2135 CB SER B 32 -4.312 0.817 -12.063 1.00 0.99 C ATOM 2136 OG SER B 32 -5.322 0.751 -11.075 1.00 1.77 O ATOM 0 H SER B 32 -3.638 0.215 -14.997 1.00 1.06 H new ATOM 0 HA SER B 32 -4.962 -1.036 -12.751 1.00 1.13 H new ATOM 0 HB2 SER B 32 -3.354 0.517 -11.639 1.00 0.99 H new ATOM 0 HB3 SER B 32 -4.198 1.843 -12.414 1.00 0.99 H new ATOM 0 HG SER B 32 -4.913 0.586 -10.200 1.00 1.77 H new ATOM 2142 N LEU B 33 -6.885 0.913 -13.384 1.00 1.24 N ATOM 2143 CA LEU B 33 -8.250 1.048 -13.847 1.00 1.22 C ATOM 2144 C LEU B 33 -8.540 2.481 -14.266 1.00 1.19 C ATOM 2145 O LEU B 33 -7.705 3.380 -14.134 1.00 1.31 O ATOM 2146 CB LEU B 33 -9.196 0.664 -12.688 1.00 1.25 C ATOM 2147 CG LEU B 33 -9.354 -0.836 -12.383 1.00 1.36 C ATOM 2148 CD1 LEU B 33 -9.971 -1.608 -13.556 1.00 2.29 C ATOM 2149 CD2 LEU B 33 -8.046 -1.498 -11.956 1.00 1.33 C ATOM 0 H LEU B 33 -6.761 1.275 -12.439 1.00 1.24 H new ATOM 0 HA LEU B 33 -8.401 0.397 -14.708 1.00 1.22 H new ATOM 0 HB2 LEU B 33 -8.841 1.158 -11.783 1.00 1.25 H new ATOM 0 HB3 LEU B 33 -10.183 1.071 -12.907 1.00 1.25 H new ATOM 0 HG LEU B 33 -10.042 -0.883 -11.539 1.00 1.36 H new ATOM 0 HD11 LEU B 33 -10.061 -2.661 -13.291 1.00 2.29 H new ATOM 0 HD12 LEU B 33 -10.959 -1.204 -13.778 1.00 2.29 H new ATOM 0 HD13 LEU B 33 -9.332 -1.508 -14.433 1.00 2.29 H new ATOM 0 HD21 LEU B 33 -8.222 -2.555 -11.755 1.00 1.33 H new ATOM 0 HD22 LEU B 33 -7.310 -1.398 -12.754 1.00 1.33 H new ATOM 0 HD23 LEU B 33 -7.671 -1.014 -11.054 1.00 1.33 H new ATOM 2161 N SER B 34 -9.776 2.678 -14.726 1.00 1.12 N ATOM 2162 CA SER B 34 -10.349 4.001 -14.816 1.00 1.11 C ATOM 2163 C SER B 34 -10.579 4.555 -13.410 1.00 1.07 C ATOM 2164 O SER B 34 -10.734 3.797 -12.451 1.00 1.06 O ATOM 2165 CB SER B 34 -11.601 3.998 -15.699 1.00 1.11 C ATOM 2166 OG SER B 34 -11.400 3.127 -16.797 1.00 1.62 O ATOM 0 H SER B 34 -10.393 1.929 -15.040 1.00 1.12 H new ATOM 0 HA SER B 34 -9.653 4.678 -15.311 1.00 1.11 H new ATOM 0 HB2 SER B 34 -12.467 3.677 -15.120 1.00 1.11 H new ATOM 0 HB3 SER B 34 -11.811 5.007 -16.055 1.00 1.11 H new ATOM 0 HG SER B 34 -12.201 3.123 -17.362 1.00 1.62 H new ATOM 2172 N VAL B 35 -10.539 5.876 -13.258 1.00 1.10 N ATOM 2173 CA VAL B 35 -10.411 6.474 -11.937 1.00 1.08 C ATOM 2174 C VAL B 35 -11.679 6.272 -11.098 1.00 1.01 C ATOM 2175 O VAL B 35 -11.618 5.808 -9.958 1.00 1.00 O ATOM 2176 CB VAL B 35 -10.037 7.947 -12.103 1.00 1.16 C ATOM 2177 CG1 VAL B 35 -9.926 8.632 -10.753 1.00 1.30 C ATOM 2178 CG2 VAL B 35 -8.679 8.130 -12.793 1.00 1.09 C ATOM 0 H VAL B 35 -10.593 6.545 -14.026 1.00 1.10 H new ATOM 0 HA VAL B 35 -9.617 5.975 -11.381 1.00 1.08 H new ATOM 0 HB VAL B 35 -10.829 8.383 -12.712 1.00 1.16 H new ATOM 0 HG11 VAL B 35 -9.659 9.679 -10.897 1.00 1.30 H new ATOM 0 HG12 VAL B 35 -10.882 8.570 -10.234 1.00 1.30 H new ATOM 0 HG13 VAL B 35 -9.157 8.140 -10.158 1.00 1.30 H new ATOM 0 HG21 VAL B 35 -8.459 9.193 -12.887 1.00 1.09 H new ATOM 0 HG22 VAL B 35 -7.901 7.650 -12.199 1.00 1.09 H new ATOM 0 HG23 VAL B 35 -8.710 7.677 -13.784 1.00 1.09 H new ATOM 2188 N ASN B 36 -12.842 6.624 -11.648 1.00 1.03 N ATOM 2189 CA ASN B 36 -14.111 6.384 -10.963 1.00 1.03 C ATOM 2190 C ASN B 36 -14.301 4.889 -10.676 1.00 0.98 C ATOM 2191 O ASN B 36 -14.577 4.514 -9.535 1.00 0.98 O ATOM 2192 CB ASN B 36 -15.313 6.950 -11.730 1.00 1.22 C ATOM 2193 CG ASN B 36 -15.459 6.433 -13.159 1.00 2.66 C ATOM 2194 OD1 ASN B 36 -16.164 5.462 -13.402 1.00 3.82 O ATOM 2195 ND2 ASN B 36 -14.796 7.055 -14.130 1.00 3.52 N ATOM 0 H ASN B 36 -12.931 7.073 -12.559 1.00 1.03 H new ATOM 0 HA ASN B 36 -14.063 6.920 -10.015 1.00 1.03 H new ATOM 0 HB2 ASN B 36 -16.223 6.714 -11.178 1.00 1.22 H new ATOM 0 HB3 ASN B 36 -15.230 8.036 -11.758 1.00 1.22 H new ATOM 0 HD21 ASN B 36 -14.871 6.724 -15.092 1.00 3.52 H new ATOM 0 HD22 ASN B 36 -14.212 7.863 -13.913 1.00 3.52 H new ATOM 2202 N GLU B 37 -14.106 4.051 -11.706 1.00 1.01 N ATOM 2203 CA GLU B 37 -14.159 2.595 -11.622 1.00 1.02 C ATOM 2204 C GLU B 37 -13.373 2.128 -10.402 1.00 0.96 C ATOM 2205 O GLU B 37 -13.924 1.460 -9.533 1.00 0.99 O ATOM 2206 CB GLU B 37 -13.626 1.988 -12.933 1.00 1.11 C ATOM 2207 CG GLU B 37 -13.333 0.478 -12.891 1.00 1.20 C ATOM 2208 CD GLU B 37 -14.542 -0.378 -12.534 1.00 2.61 C ATOM 2209 OE1 GLU B 37 -15.660 0.026 -12.914 1.00 3.73 O ATOM 2210 OE2 GLU B 37 -14.312 -1.434 -11.908 1.00 3.65 O ATOM 0 H GLU B 37 -13.901 4.385 -12.648 1.00 1.01 H new ATOM 0 HA GLU B 37 -15.187 2.255 -11.498 1.00 1.02 H new ATOM 0 HB2 GLU B 37 -14.353 2.178 -13.723 1.00 1.11 H new ATOM 0 HB3 GLU B 37 -12.710 2.511 -13.210 1.00 1.11 H new ATOM 0 HG2 GLU B 37 -12.953 0.165 -13.864 1.00 1.20 H new ATOM 0 HG3 GLU B 37 -12.542 0.292 -12.165 1.00 1.20 H new ATOM 2217 N PHE B 38 -12.100 2.530 -10.312 1.00 0.93 N ATOM 2218 CA PHE B 38 -11.273 2.260 -9.146 1.00 0.90 C ATOM 2219 C PHE B 38 -12.031 2.568 -7.853 1.00 0.86 C ATOM 2220 O PHE B 38 -12.146 1.673 -7.022 1.00 0.86 O ATOM 2221 CB PHE B 38 -9.942 3.017 -9.229 1.00 0.95 C ATOM 2222 CG PHE B 38 -9.178 3.109 -7.919 1.00 1.02 C ATOM 2223 CD1 PHE B 38 -9.514 4.113 -6.990 1.00 2.61 C ATOM 2224 CD2 PHE B 38 -8.221 2.137 -7.571 1.00 1.76 C ATOM 2225 CE1 PHE B 38 -9.028 4.046 -5.676 1.00 2.66 C ATOM 2226 CE2 PHE B 38 -7.617 2.173 -6.301 1.00 1.92 C ATOM 2227 CZ PHE B 38 -8.035 3.112 -5.346 1.00 1.41 C ATOM 0 H PHE B 38 -11.621 3.050 -11.047 1.00 0.93 H new ATOM 0 HA PHE B 38 -11.036 1.196 -9.133 1.00 0.90 H new ATOM 0 HB2 PHE B 38 -9.308 2.529 -9.969 1.00 0.95 H new ATOM 0 HB3 PHE B 38 -10.136 4.026 -9.592 1.00 0.95 H new ATOM 0 HD1 PHE B 38 -10.147 4.935 -7.290 1.00 2.61 H new ATOM 0 HD2 PHE B 38 -7.951 1.366 -8.277 1.00 1.76 H new ATOM 0 HE1 PHE B 38 -9.417 4.712 -4.920 1.00 2.66 H new ATOM 0 HE2 PHE B 38 -6.829 1.475 -6.060 1.00 1.92 H new ATOM 0 HZ PHE B 38 -7.594 3.116 -4.360 1.00 1.41 H new ATOM 2237 N LYS B 39 -12.533 3.801 -7.666 1.00 0.87 N ATOM 2238 CA LYS B 39 -13.148 4.197 -6.396 1.00 0.85 C ATOM 2239 C LYS B 39 -14.221 3.184 -6.005 1.00 0.87 C ATOM 2240 O LYS B 39 -14.198 2.627 -4.901 1.00 0.86 O ATOM 2241 CB LYS B 39 -13.721 5.635 -6.442 1.00 0.95 C ATOM 2242 CG LYS B 39 -14.112 6.147 -5.035 1.00 1.00 C ATOM 2243 CD LYS B 39 -15.539 5.799 -4.560 1.00 1.71 C ATOM 2244 CE LYS B 39 -15.759 6.342 -3.134 1.00 2.84 C ATOM 2245 NZ LYS B 39 -17.122 6.098 -2.610 1.00 3.95 N ATOM 0 H LYS B 39 -12.523 4.533 -8.376 1.00 0.87 H new ATOM 0 HA LYS B 39 -12.369 4.203 -5.633 1.00 0.85 H new ATOM 0 HB2 LYS B 39 -12.982 6.306 -6.880 1.00 0.95 H new ATOM 0 HB3 LYS B 39 -14.596 5.656 -7.092 1.00 0.95 H new ATOM 0 HG2 LYS B 39 -13.402 5.744 -4.313 1.00 1.00 H new ATOM 0 HG3 LYS B 39 -14.000 7.231 -5.021 1.00 1.00 H new ATOM 0 HD2 LYS B 39 -16.274 6.229 -5.241 1.00 1.71 H new ATOM 0 HD3 LYS B 39 -15.684 4.719 -4.575 1.00 1.71 H new ATOM 0 HE2 LYS B 39 -15.033 5.882 -2.463 1.00 2.84 H new ATOM 0 HE3 LYS B 39 -15.563 7.414 -3.128 1.00 2.84 H new ATOM 0 HZ1 LYS B 39 -17.170 6.396 -1.615 1.00 3.95 H new ATOM 0 HZ2 LYS B 39 -17.811 6.642 -3.168 1.00 3.95 H new ATOM 0 HZ3 LYS B 39 -17.344 5.084 -2.679 1.00 3.95 H new ATOM 2259 N GLU B 40 -15.172 2.972 -6.912 1.00 1.04 N ATOM 2260 CA GLU B 40 -16.311 2.110 -6.661 1.00 1.14 C ATOM 2261 C GLU B 40 -15.853 0.666 -6.438 1.00 1.09 C ATOM 2262 O GLU B 40 -16.301 0.008 -5.497 1.00 1.14 O ATOM 2263 CB GLU B 40 -17.325 2.258 -7.800 1.00 1.30 C ATOM 2264 CG GLU B 40 -17.816 3.715 -7.862 1.00 1.37 C ATOM 2265 CD GLU B 40 -18.970 3.899 -8.839 1.00 1.72 C ATOM 2266 OE1 GLU B 40 -19.909 3.079 -8.765 1.00 2.22 O ATOM 2267 OE2 GLU B 40 -18.901 4.877 -9.614 1.00 2.67 O ATOM 0 H GLU B 40 -15.169 3.396 -7.840 1.00 1.04 H new ATOM 0 HA GLU B 40 -16.815 2.410 -5.742 1.00 1.14 H new ATOM 0 HB2 GLU B 40 -16.867 1.977 -8.748 1.00 1.30 H new ATOM 0 HB3 GLU B 40 -18.168 1.585 -7.641 1.00 1.30 H new ATOM 0 HG2 GLU B 40 -18.132 4.032 -6.868 1.00 1.37 H new ATOM 0 HG3 GLU B 40 -16.989 4.362 -8.155 1.00 1.37 H new ATOM 2274 N LEU B 41 -14.962 0.165 -7.293 1.00 1.06 N ATOM 2275 CA LEU B 41 -14.418 -1.181 -7.200 1.00 1.07 C ATOM 2276 C LEU B 41 -13.792 -1.389 -5.823 1.00 0.94 C ATOM 2277 O LEU B 41 -14.205 -2.282 -5.085 1.00 0.98 O ATOM 2278 CB LEU B 41 -13.423 -1.409 -8.352 1.00 1.21 C ATOM 2279 CG LEU B 41 -12.839 -2.826 -8.508 1.00 1.13 C ATOM 2280 CD1 LEU B 41 -11.758 -3.171 -7.477 1.00 2.90 C ATOM 2281 CD2 LEU B 41 -13.924 -3.909 -8.527 1.00 2.39 C ATOM 0 H LEU B 41 -14.594 0.696 -8.082 1.00 1.06 H new ATOM 0 HA LEU B 41 -15.209 -1.924 -7.304 1.00 1.07 H new ATOM 0 HB2 LEU B 41 -13.920 -1.144 -9.285 1.00 1.21 H new ATOM 0 HB3 LEU B 41 -12.593 -0.714 -8.224 1.00 1.21 H new ATOM 0 HG LEU B 41 -12.351 -2.811 -9.482 1.00 1.13 H new ATOM 0 HD11 LEU B 41 -11.397 -4.184 -7.653 1.00 2.90 H new ATOM 0 HD12 LEU B 41 -10.929 -2.469 -7.570 1.00 2.90 H new ATOM 0 HD13 LEU B 41 -12.178 -3.105 -6.473 1.00 2.90 H new ATOM 0 HD21 LEU B 41 -13.459 -4.888 -8.639 1.00 2.39 H new ATOM 0 HD22 LEU B 41 -14.485 -3.878 -7.593 1.00 2.39 H new ATOM 0 HD23 LEU B 41 -14.601 -3.731 -9.363 1.00 2.39 H new ATOM 2293 N VAL B 42 -12.800 -0.572 -5.457 1.00 0.85 N ATOM 2294 CA VAL B 42 -12.072 -0.798 -4.219 1.00 0.84 C ATOM 2295 C VAL B 42 -12.981 -0.601 -3.013 1.00 0.88 C ATOM 2296 O VAL B 42 -12.932 -1.426 -2.108 1.00 0.91 O ATOM 2297 CB VAL B 42 -10.749 -0.022 -4.115 1.00 0.99 C ATOM 2298 CG1 VAL B 42 -9.832 -0.338 -5.302 1.00 2.09 C ATOM 2299 CG2 VAL B 42 -10.941 1.484 -3.944 1.00 1.75 C ATOM 0 H VAL B 42 -12.491 0.238 -5.995 1.00 0.85 H new ATOM 0 HA VAL B 42 -11.759 -1.842 -4.230 1.00 0.84 H new ATOM 0 HB VAL B 42 -10.264 -0.366 -3.202 1.00 0.99 H new ATOM 0 HG11 VAL B 42 -8.903 0.224 -5.204 1.00 2.09 H new ATOM 0 HG12 VAL B 42 -9.611 -1.405 -5.317 1.00 2.09 H new ATOM 0 HG13 VAL B 42 -10.329 -0.058 -6.231 1.00 2.09 H new ATOM 0 HG21 VAL B 42 -9.967 1.970 -3.877 1.00 1.75 H new ATOM 0 HG22 VAL B 42 -11.487 1.881 -4.800 1.00 1.75 H new ATOM 0 HG23 VAL B 42 -11.506 1.678 -3.032 1.00 1.75 H new ATOM 2309 N THR B 43 -13.826 0.441 -2.971 1.00 1.01 N ATOM 2310 CA THR B 43 -14.677 0.594 -1.793 1.00 1.24 C ATOM 2311 C THR B 43 -15.586 -0.637 -1.658 1.00 1.26 C ATOM 2312 O THR B 43 -15.666 -1.218 -0.577 1.00 1.38 O ATOM 2313 CB THR B 43 -15.378 1.967 -1.705 1.00 1.59 C ATOM 2314 OG1 THR B 43 -15.713 2.214 -0.348 1.00 1.87 O ATOM 2315 CG2 THR B 43 -16.636 2.051 -2.572 1.00 1.82 C ATOM 0 H THR B 43 -13.933 1.150 -3.696 1.00 1.01 H new ATOM 0 HA THR B 43 -14.052 0.617 -0.901 1.00 1.24 H new ATOM 0 HB THR B 43 -14.688 2.721 -2.085 1.00 1.59 H new ATOM 0 HG1 THR B 43 -15.693 3.179 -0.177 1.00 1.87 H new ATOM 0 HG21 THR B 43 -17.084 3.039 -2.468 1.00 1.82 H new ATOM 0 HG22 THR B 43 -16.371 1.881 -3.615 1.00 1.82 H new ATOM 0 HG23 THR B 43 -17.350 1.293 -2.251 1.00 1.82 H new ATOM 2323 N GLN B 44 -16.184 -1.121 -2.758 1.00 1.33 N ATOM 2324 CA GLN B 44 -16.947 -2.371 -2.726 1.00 1.46 C ATOM 2325 C GLN B 44 -16.092 -3.540 -2.223 1.00 1.32 C ATOM 2326 O GLN B 44 -16.555 -4.336 -1.410 1.00 1.35 O ATOM 2327 CB GLN B 44 -17.545 -2.680 -4.101 1.00 1.67 C ATOM 2328 CG GLN B 44 -18.727 -1.754 -4.408 1.00 2.44 C ATOM 2329 CD GLN B 44 -19.188 -1.917 -5.849 1.00 3.07 C ATOM 2330 OE1 GLN B 44 -20.271 -2.429 -6.115 1.00 4.00 O ATOM 2331 NE2 GLN B 44 -18.355 -1.486 -6.788 1.00 3.55 N ATOM 0 H GLN B 44 -16.153 -0.668 -3.671 1.00 1.33 H new ATOM 0 HA GLN B 44 -17.767 -2.239 -2.020 1.00 1.46 H new ATOM 0 HB2 GLN B 44 -16.780 -2.565 -4.868 1.00 1.67 H new ATOM 0 HB3 GLN B 44 -17.874 -3.719 -4.133 1.00 1.67 H new ATOM 0 HG2 GLN B 44 -19.552 -1.975 -3.731 1.00 2.44 H new ATOM 0 HG3 GLN B 44 -18.438 -0.718 -4.230 1.00 2.44 H new ATOM 0 HE21 GLN B 44 -17.463 -1.066 -6.525 1.00 3.55 H new ATOM 0 HE22 GLN B 44 -18.606 -1.575 -7.773 1.00 3.55 H new ATOM 2340 N GLN B 45 -14.848 -3.646 -2.697 1.00 1.22 N ATOM 2341 CA GLN B 45 -13.878 -4.616 -2.202 1.00 1.19 C ATOM 2342 C GLN B 45 -13.463 -4.388 -0.754 1.00 1.13 C ATOM 2343 O GLN B 45 -12.938 -5.331 -0.172 1.00 1.15 O ATOM 2344 CB GLN B 45 -12.649 -4.703 -3.119 1.00 1.23 C ATOM 2345 CG GLN B 45 -12.558 -6.052 -3.832 1.00 0.95 C ATOM 2346 CD GLN B 45 -13.453 -6.123 -5.067 1.00 1.23 C ATOM 2347 OE1 GLN B 45 -12.964 -6.153 -6.191 1.00 1.96 O ATOM 2348 NE2 GLN B 45 -14.770 -6.156 -4.882 1.00 1.92 N ATOM 0 H GLN B 45 -14.486 -3.053 -3.443 1.00 1.22 H new ATOM 0 HA GLN B 45 -14.394 -5.576 -2.220 1.00 1.19 H new ATOM 0 HB2 GLN B 45 -12.692 -3.904 -3.859 1.00 1.23 H new ATOM 0 HB3 GLN B 45 -11.746 -4.543 -2.530 1.00 1.23 H new ATOM 0 HG2 GLN B 45 -11.524 -6.235 -4.126 1.00 0.95 H new ATOM 0 HG3 GLN B 45 -12.838 -6.845 -3.139 1.00 0.95 H new ATOM 0 HE21 GLN B 45 -15.153 -6.130 -3.937 1.00 1.92 H new ATOM 0 HE22 GLN B 45 -15.397 -6.207 -5.685 1.00 1.92 H new ATOM 2357 N LEU B 46 -13.676 -3.196 -0.183 1.00 1.09 N ATOM 2358 CA LEU B 46 -13.442 -2.879 1.223 1.00 1.08 C ATOM 2359 C LEU B 46 -14.771 -2.816 2.007 1.00 1.04 C ATOM 2360 O LEU B 46 -15.129 -1.762 2.541 1.00 1.05 O ATOM 2361 CB LEU B 46 -12.614 -1.581 1.343 1.00 1.13 C ATOM 2362 CG LEU B 46 -11.083 -1.769 1.308 1.00 1.06 C ATOM 2363 CD1 LEU B 46 -10.540 -2.444 0.043 1.00 1.15 C ATOM 2364 CD2 LEU B 46 -10.424 -0.389 1.440 1.00 2.00 C ATOM 0 H LEU B 46 -14.030 -2.399 -0.712 1.00 1.09 H new ATOM 0 HA LEU B 46 -12.858 -3.679 1.678 1.00 1.08 H new ATOM 0 HB2 LEU B 46 -12.900 -0.911 0.532 1.00 1.13 H new ATOM 0 HB3 LEU B 46 -12.881 -1.084 2.276 1.00 1.13 H new ATOM 0 HG LEU B 46 -10.842 -2.438 2.134 1.00 1.06 H new ATOM 0 HD11 LEU B 46 -9.456 -2.531 0.114 1.00 1.15 H new ATOM 0 HD12 LEU B 46 -10.978 -3.437 -0.056 1.00 1.15 H new ATOM 0 HD13 LEU B 46 -10.800 -1.844 -0.829 1.00 1.15 H new ATOM 0 HD21 LEU B 46 -9.340 -0.500 1.417 1.00 2.00 H new ATOM 0 HD22 LEU B 46 -10.741 0.246 0.613 1.00 2.00 H new ATOM 0 HD23 LEU B 46 -10.722 0.068 2.384 1.00 2.00 H new ATOM 2376 N PRO B 47 -15.530 -3.923 2.131 1.00 1.04 N ATOM 2377 CA PRO B 47 -16.811 -3.919 2.810 1.00 1.03 C ATOM 2378 C PRO B 47 -16.709 -3.708 4.324 1.00 1.07 C ATOM 2379 O PRO B 47 -17.753 -3.462 4.940 1.00 1.42 O ATOM 2380 CB PRO B 47 -17.457 -5.265 2.485 1.00 1.09 C ATOM 2381 CG PRO B 47 -16.241 -6.179 2.369 1.00 1.10 C ATOM 2382 CD PRO B 47 -15.255 -5.265 1.649 1.00 1.10 C ATOM 0 HA PRO B 47 -17.407 -3.075 2.463 1.00 1.03 H new ATOM 0 HB2 PRO B 47 -18.139 -5.591 3.270 1.00 1.09 H new ATOM 0 HB3 PRO B 47 -18.031 -5.229 1.559 1.00 1.09 H new ATOM 0 HG2 PRO B 47 -15.871 -6.498 3.343 1.00 1.10 H new ATOM 0 HG3 PRO B 47 -16.457 -7.082 1.799 1.00 1.10 H new ATOM 0 HD2 PRO B 47 -14.226 -5.554 1.864 1.00 1.10 H new ATOM 0 HD3 PRO B 47 -15.384 -5.326 0.568 1.00 1.10 H new ATOM 2390 N HIS B 48 -15.502 -3.783 4.913 1.00 1.02 N ATOM 2391 CA HIS B 48 -15.223 -3.577 6.335 1.00 1.18 C ATOM 2392 C HIS B 48 -16.061 -2.443 6.930 1.00 1.33 C ATOM 2393 O HIS B 48 -16.535 -2.575 8.058 1.00 2.15 O ATOM 2394 CB HIS B 48 -13.721 -3.312 6.516 1.00 1.42 C ATOM 2395 CG HIS B 48 -13.264 -2.916 7.900 1.00 1.56 C ATOM 2396 ND1 HIS B 48 -14.010 -2.908 9.059 1.00 2.54 N ATOM 2397 CD2 HIS B 48 -12.012 -2.462 8.212 1.00 2.47 C ATOM 2398 CE1 HIS B 48 -13.222 -2.445 10.043 1.00 3.14 C ATOM 2399 NE2 HIS B 48 -11.997 -2.152 9.573 1.00 2.91 N ATOM 0 H HIS B 48 -14.659 -3.999 4.381 1.00 1.02 H new ATOM 0 HA HIS B 48 -15.503 -4.480 6.878 1.00 1.18 H new ATOM 0 HB2 HIS B 48 -13.179 -4.211 6.223 1.00 1.42 H new ATOM 0 HB3 HIS B 48 -13.429 -2.524 5.823 1.00 1.42 H new ATOM 0 HD1 HIS B 48 -14.983 -3.200 9.152 1.00 2.54 H new ATOM 0 HD2 HIS B 48 -11.183 -2.361 7.527 1.00 2.47 H new ATOM 0 HE1 HIS B 48 -13.530 -2.325 11.071 1.00 3.14 H new ATOM 2407 N LEU B 49 -16.282 -1.350 6.190 1.00 1.41 N ATOM 2408 CA LEU B 49 -17.357 -0.433 6.552 1.00 1.33 C ATOM 2409 C LEU B 49 -17.992 0.263 5.346 1.00 1.26 C ATOM 2410 O LEU B 49 -19.221 0.296 5.290 1.00 1.39 O ATOM 2411 CB LEU B 49 -16.945 0.541 7.667 1.00 1.49 C ATOM 2412 CG LEU B 49 -18.073 0.768 8.696 1.00 1.52 C ATOM 2413 CD1 LEU B 49 -18.229 -0.424 9.653 1.00 2.28 C ATOM 2414 CD2 LEU B 49 -17.782 2.002 9.558 1.00 2.65 C ATOM 0 H LEU B 49 -15.746 -1.088 5.362 1.00 1.41 H new ATOM 0 HA LEU B 49 -18.151 -1.052 6.970 1.00 1.33 H new ATOM 0 HB2 LEU B 49 -16.064 0.153 8.178 1.00 1.49 H new ATOM 0 HB3 LEU B 49 -16.662 1.496 7.225 1.00 1.49 H new ATOM 0 HG LEU B 49 -18.987 0.900 8.117 1.00 1.52 H new ATOM 0 HD11 LEU B 49 -19.034 -0.221 10.359 1.00 2.28 H new ATOM 0 HD12 LEU B 49 -18.466 -1.321 9.081 1.00 2.28 H new ATOM 0 HD13 LEU B 49 -17.298 -0.577 10.198 1.00 2.28 H new ATOM 0 HD21 LEU B 49 -18.590 2.143 10.276 1.00 2.65 H new ATOM 0 HD22 LEU B 49 -16.843 1.859 10.092 1.00 2.65 H new ATOM 0 HD23 LEU B 49 -17.706 2.882 8.920 1.00 2.65 H new ATOM 2426 N LEU B 50 -17.189 0.760 4.395 1.00 1.45 N ATOM 2427 CA LEU B 50 -17.579 1.687 3.332 1.00 1.66 C ATOM 2428 C LEU B 50 -17.926 3.044 3.929 1.00 1.48 C ATOM 2429 O LEU B 50 -18.999 3.587 3.683 1.00 1.50 O ATOM 2430 CB LEU B 50 -18.727 1.156 2.471 1.00 1.96 C ATOM 2431 CG LEU B 50 -18.379 -0.203 1.855 1.00 2.12 C ATOM 2432 CD1 LEU B 50 -19.362 -1.273 2.311 1.00 3.82 C ATOM 2433 CD2 LEU B 50 -18.370 -0.069 0.345 1.00 3.02 C ATOM 0 H LEU B 50 -16.201 0.512 4.347 1.00 1.45 H new ATOM 0 HA LEU B 50 -16.724 1.794 2.664 1.00 1.66 H new ATOM 0 HB2 LEU B 50 -19.627 1.062 3.079 1.00 1.96 H new ATOM 0 HB3 LEU B 50 -18.950 1.870 1.679 1.00 1.96 H new ATOM 0 HG LEU B 50 -17.390 -0.514 2.191 1.00 2.12 H new ATOM 0 HD11 LEU B 50 -19.094 -2.229 1.861 1.00 3.82 H new ATOM 0 HD12 LEU B 50 -19.326 -1.361 3.397 1.00 3.82 H new ATOM 0 HD13 LEU B 50 -20.370 -0.996 2.002 1.00 3.82 H new ATOM 0 HD21 LEU B 50 -18.123 -1.031 -0.104 1.00 3.02 H new ATOM 0 HD22 LEU B 50 -19.354 0.250 0.002 1.00 3.02 H new ATOM 0 HD23 LEU B 50 -17.626 0.671 0.050 1.00 3.02 H new ATOM 2445 N LYS B 51 -17.029 3.571 4.766 1.00 1.50 N ATOM 2446 CA LYS B 51 -17.305 4.830 5.431 1.00 1.52 C ATOM 2447 C LYS B 51 -17.013 6.020 4.511 1.00 1.68 C ATOM 2448 O LYS B 51 -17.767 6.986 4.523 1.00 1.77 O ATOM 2449 CB LYS B 51 -16.626 4.856 6.797 1.00 1.62 C ATOM 2450 CG LYS B 51 -15.112 4.956 6.706 1.00 1.82 C ATOM 2451 CD LYS B 51 -14.701 6.427 6.840 1.00 2.02 C ATOM 2452 CE LYS B 51 -14.660 6.909 8.296 1.00 2.12 C ATOM 2453 NZ LYS B 51 -13.677 7.995 8.455 1.00 3.29 N ATOM 0 H LYS B 51 -16.127 3.151 4.991 1.00 1.50 H new ATOM 0 HA LYS B 51 -18.370 4.926 5.642 1.00 1.52 H new ATOM 0 HB2 LYS B 51 -17.007 5.702 7.370 1.00 1.62 H new ATOM 0 HB3 LYS B 51 -16.893 3.953 7.346 1.00 1.62 H new ATOM 0 HG2 LYS B 51 -14.647 4.362 7.493 1.00 1.82 H new ATOM 0 HG3 LYS B 51 -14.764 4.553 5.755 1.00 1.82 H new ATOM 0 HD2 LYS B 51 -13.718 6.566 6.389 1.00 2.02 H new ATOM 0 HD3 LYS B 51 -15.400 7.046 6.278 1.00 2.02 H new ATOM 0 HE2 LYS B 51 -15.648 7.258 8.597 1.00 2.12 H new ATOM 0 HE3 LYS B 51 -14.402 6.078 8.953 1.00 2.12 H new ATOM 0 HZ1 LYS B 51 -13.770 8.411 9.404 1.00 3.29 H new ATOM 0 HZ2 LYS B 51 -12.717 7.614 8.336 1.00 3.29 H new ATOM 0 HZ3 LYS B 51 -13.850 8.728 7.737 1.00 3.29 H new ATOM 2467 N ASP B 52 -15.886 5.962 3.781 1.00 1.81 N ATOM 2468 CA ASP B 52 -15.388 6.980 2.864 1.00 1.84 C ATOM 2469 C ASP B 52 -15.798 8.424 3.208 1.00 1.83 C ATOM 2470 O ASP B 52 -16.584 9.069 2.522 1.00 2.06 O ATOM 2471 CB ASP B 52 -15.291 6.548 1.379 1.00 2.08 C ATOM 2472 CG ASP B 52 -16.446 5.813 0.709 1.00 2.98 C ATOM 2473 OD1 ASP B 52 -16.411 4.561 0.717 1.00 3.26 O ATOM 2474 OD2 ASP B 52 -17.220 6.482 -0.010 1.00 4.36 O ATOM 0 H ASP B 52 -15.268 5.152 3.824 1.00 1.81 H new ATOM 0 HA ASP B 52 -14.321 7.057 3.071 1.00 1.84 H new ATOM 0 HB2 ASP B 52 -15.100 7.448 0.794 1.00 2.08 H new ATOM 0 HB3 ASP B 52 -14.409 5.914 1.286 1.00 2.08 H new ATOM 2479 N VAL B 53 -15.177 8.930 4.281 1.00 1.67 N ATOM 2480 CA VAL B 53 -15.077 10.323 4.691 1.00 1.63 C ATOM 2481 C VAL B 53 -13.771 10.399 5.489 1.00 1.33 C ATOM 2482 O VAL B 53 -13.487 9.471 6.255 1.00 1.86 O ATOM 2483 CB VAL B 53 -16.318 10.780 5.481 1.00 2.40 C ATOM 2484 CG1 VAL B 53 -16.483 10.078 6.833 1.00 2.52 C ATOM 2485 CG2 VAL B 53 -16.264 12.295 5.704 1.00 3.38 C ATOM 0 H VAL B 53 -14.692 8.316 4.936 1.00 1.67 H new ATOM 0 HA VAL B 53 -15.052 11.010 3.845 1.00 1.63 H new ATOM 0 HB VAL B 53 -17.181 10.505 4.875 1.00 2.40 H new ATOM 0 HG11 VAL B 53 -17.378 10.452 7.330 1.00 2.52 H new ATOM 0 HG12 VAL B 53 -16.577 9.003 6.676 1.00 2.52 H new ATOM 0 HG13 VAL B 53 -15.611 10.279 7.456 1.00 2.52 H new ATOM 0 HG21 VAL B 53 -17.144 12.612 6.263 1.00 3.38 H new ATOM 0 HG22 VAL B 53 -15.366 12.548 6.267 1.00 3.38 H new ATOM 0 HG23 VAL B 53 -16.243 12.804 4.740 1.00 3.38 H new ATOM 2495 N GLY B 54 -12.950 11.431 5.291 1.00 1.49 N ATOM 2496 CA GLY B 54 -11.691 11.625 5.998 1.00 2.00 C ATOM 2497 C GLY B 54 -10.545 11.937 5.037 1.00 1.80 C ATOM 2498 O GLY B 54 -9.968 13.023 5.077 1.00 2.62 O ATOM 0 H GLY B 54 -13.150 12.171 4.618 1.00 1.49 H new ATOM 0 HA2 GLY B 54 -11.798 12.440 6.714 1.00 2.00 H new ATOM 0 HA3 GLY B 54 -11.453 10.728 6.569 1.00 2.00 H new ATOM 2502 N SER B 55 -10.062 10.948 4.280 1.00 1.44 N ATOM 2503 CA SER B 55 -9.392 11.206 3.002 1.00 1.13 C ATOM 2504 C SER B 55 -10.348 11.278 1.816 1.00 0.96 C ATOM 2505 O SER B 55 -9.964 11.845 0.797 1.00 1.14 O ATOM 2506 CB SER B 55 -8.236 10.253 2.716 1.00 1.42 C ATOM 2507 OG SER B 55 -7.112 10.571 3.518 1.00 1.85 O ATOM 0 H SER B 55 -10.122 9.961 4.530 1.00 1.44 H new ATOM 0 HA SER B 55 -8.962 12.200 3.125 1.00 1.13 H new ATOM 0 HB2 SER B 55 -8.548 9.227 2.910 1.00 1.42 H new ATOM 0 HB3 SER B 55 -7.964 10.310 1.662 1.00 1.42 H new ATOM 0 HG SER B 55 -6.336 10.057 3.212 1.00 1.85 H new ATOM 2513 N LEU B 56 -11.548 10.686 1.895 1.00 0.95 N ATOM 2514 CA LEU B 56 -12.450 10.653 0.746 1.00 1.05 C ATOM 2515 C LEU B 56 -12.575 12.043 0.179 1.00 0.96 C ATOM 2516 O LEU B 56 -12.408 12.227 -1.011 1.00 1.15 O ATOM 2517 CB LEU B 56 -13.831 10.122 1.117 1.00 1.26 C ATOM 2518 CG LEU B 56 -14.906 10.212 0.010 1.00 1.88 C ATOM 2519 CD1 LEU B 56 -15.573 11.587 -0.152 1.00 1.96 C ATOM 2520 CD2 LEU B 56 -14.461 9.612 -1.329 1.00 3.02 C ATOM 0 H LEU B 56 -11.909 10.230 2.733 1.00 0.95 H new ATOM 0 HA LEU B 56 -12.029 9.975 0.004 1.00 1.05 H new ATOM 0 HB2 LEU B 56 -13.730 9.078 1.415 1.00 1.26 H new ATOM 0 HB3 LEU B 56 -14.188 10.670 1.989 1.00 1.26 H new ATOM 0 HG LEU B 56 -15.701 9.570 0.389 1.00 1.88 H new ATOM 0 HD11 LEU B 56 -16.310 11.542 -0.954 1.00 1.96 H new ATOM 0 HD12 LEU B 56 -16.067 11.864 0.780 1.00 1.96 H new ATOM 0 HD13 LEU B 56 -14.816 12.332 -0.397 1.00 1.96 H new ATOM 0 HD21 LEU B 56 -15.266 9.711 -2.057 1.00 3.02 H new ATOM 0 HD22 LEU B 56 -13.579 10.141 -1.689 1.00 3.02 H new ATOM 0 HD23 LEU B 56 -14.222 8.557 -1.193 1.00 3.02 H new ATOM 2532 N ASP B 57 -12.805 13.018 1.040 1.00 0.97 N ATOM 2533 CA ASP B 57 -12.905 14.427 0.722 1.00 1.24 C ATOM 2534 C ASP B 57 -11.806 14.857 -0.276 1.00 1.25 C ATOM 2535 O ASP B 57 -12.065 15.555 -1.257 1.00 1.69 O ATOM 2536 CB ASP B 57 -12.806 15.212 2.046 1.00 1.63 C ATOM 2537 CG ASP B 57 -13.644 14.624 3.187 1.00 3.42 C ATOM 2538 OD1 ASP B 57 -13.352 13.462 3.567 1.00 4.88 O ATOM 2539 OD2 ASP B 57 -14.557 15.329 3.660 1.00 4.27 O ATOM 0 H ASP B 57 -12.934 12.835 2.035 1.00 0.97 H new ATOM 0 HA ASP B 57 -13.857 14.637 0.235 1.00 1.24 H new ATOM 0 HB2 ASP B 57 -11.762 15.248 2.357 1.00 1.63 H new ATOM 0 HB3 ASP B 57 -13.122 16.240 1.871 1.00 1.63 H new ATOM 2544 N GLU B 58 -10.574 14.403 -0.027 1.00 1.02 N ATOM 2545 CA GLU B 58 -9.365 14.671 -0.795 1.00 1.12 C ATOM 2546 C GLU B 58 -9.284 13.782 -2.049 1.00 1.05 C ATOM 2547 O GLU B 58 -8.704 14.172 -3.063 1.00 1.30 O ATOM 2548 CB GLU B 58 -8.166 14.451 0.154 1.00 1.25 C ATOM 2549 CG GLU B 58 -6.807 14.971 -0.338 1.00 1.94 C ATOM 2550 CD GLU B 58 -6.761 16.480 -0.498 1.00 3.19 C ATOM 2551 OE1 GLU B 58 -7.707 17.168 -0.052 1.00 3.94 O ATOM 2552 OE2 GLU B 58 -5.867 16.979 -1.217 1.00 4.22 O ATOM 0 H GLU B 58 -10.388 13.797 0.772 1.00 1.02 H new ATOM 0 HA GLU B 58 -9.364 15.696 -1.165 1.00 1.12 H new ATOM 0 HB2 GLU B 58 -8.391 14.930 1.107 1.00 1.25 H new ATOM 0 HB3 GLU B 58 -8.074 13.382 0.348 1.00 1.25 H new ATOM 0 HG2 GLU B 58 -6.033 14.664 0.365 1.00 1.94 H new ATOM 0 HG3 GLU B 58 -6.572 14.504 -1.295 1.00 1.94 H new ATOM 2559 N LYS B 59 -9.860 12.581 -1.997 1.00 0.88 N ATOM 2560 CA LYS B 59 -9.824 11.618 -3.090 1.00 0.93 C ATOM 2561 C LYS B 59 -10.879 11.963 -4.143 1.00 0.96 C ATOM 2562 O LYS B 59 -10.617 11.898 -5.339 1.00 0.99 O ATOM 2563 CB LYS B 59 -10.027 10.197 -2.541 1.00 0.92 C ATOM 2564 CG LYS B 59 -9.368 9.147 -3.449 1.00 1.13 C ATOM 2565 CD LYS B 59 -9.173 7.789 -2.766 1.00 1.20 C ATOM 2566 CE LYS B 59 -10.432 7.048 -2.319 1.00 1.31 C ATOM 2567 NZ LYS B 59 -10.982 7.599 -1.065 1.00 1.49 N ATOM 0 H LYS B 59 -10.372 12.248 -1.180 1.00 0.88 H new ATOM 0 HA LYS B 59 -8.848 11.662 -3.573 1.00 0.93 H new ATOM 0 HB2 LYS B 59 -9.606 10.129 -1.538 1.00 0.92 H new ATOM 0 HB3 LYS B 59 -11.093 9.988 -2.454 1.00 0.92 H new ATOM 0 HG2 LYS B 59 -9.980 9.012 -4.341 1.00 1.13 H new ATOM 0 HG3 LYS B 59 -8.399 9.521 -3.781 1.00 1.13 H new ATOM 0 HD2 LYS B 59 -8.625 7.142 -3.450 1.00 1.20 H new ATOM 0 HD3 LYS B 59 -8.540 7.938 -1.892 1.00 1.20 H new ATOM 0 HE2 LYS B 59 -11.186 7.109 -3.103 1.00 1.31 H new ATOM 0 HE3 LYS B 59 -10.201 5.992 -2.180 1.00 1.31 H new ATOM 0 HZ1 LYS B 59 -11.520 6.861 -0.568 1.00 1.49 H new ATOM 0 HZ2 LYS B 59 -10.203 7.927 -0.459 1.00 1.49 H new ATOM 0 HZ3 LYS B 59 -11.611 8.398 -1.283 1.00 1.49 H new ATOM 2581 N MET B 60 -12.080 12.320 -3.690 1.00 0.99 N ATOM 2582 CA MET B 60 -13.245 12.618 -4.495 1.00 1.01 C ATOM 2583 C MET B 60 -12.841 13.601 -5.571 1.00 1.00 C ATOM 2584 O MET B 60 -12.982 13.278 -6.739 1.00 0.97 O ATOM 2585 CB MET B 60 -14.389 13.129 -3.607 1.00 1.15 C ATOM 2586 CG MET B 60 -15.648 13.489 -4.412 1.00 1.35 C ATOM 2587 SD MET B 60 -15.643 15.120 -5.205 1.00 2.87 S ATOM 2588 CE MET B 60 -17.149 15.006 -6.195 1.00 2.78 C ATOM 0 H MET B 60 -12.268 12.412 -2.692 1.00 0.99 H new ATOM 0 HA MET B 60 -13.623 11.720 -4.984 1.00 1.01 H new ATOM 0 HB2 MET B 60 -14.640 12.366 -2.870 1.00 1.15 H new ATOM 0 HB3 MET B 60 -14.052 14.007 -3.056 1.00 1.15 H new ATOM 0 HG2 MET B 60 -15.791 12.732 -5.183 1.00 1.35 H new ATOM 0 HG3 MET B 60 -16.509 13.433 -3.746 1.00 1.35 H new ATOM 0 HE1 MET B 60 -17.292 15.934 -6.748 1.00 2.78 H new ATOM 0 HE2 MET B 60 -17.062 14.176 -6.896 1.00 2.78 H new ATOM 0 HE3 MET B 60 -18.004 14.839 -5.539 1.00 2.78 H new ATOM 2598 N LYS B 61 -12.276 14.748 -5.191 1.00 1.07 N ATOM 2599 CA LYS B 61 -11.840 15.739 -6.169 1.00 1.15 C ATOM 2600 C LYS B 61 -10.852 15.109 -7.166 1.00 1.08 C ATOM 2601 O LYS B 61 -11.003 15.233 -8.380 1.00 1.12 O ATOM 2602 CB LYS B 61 -11.271 16.968 -5.449 1.00 1.32 C ATOM 2603 CG LYS B 61 -9.945 16.659 -4.748 1.00 1.97 C ATOM 2604 CD LYS B 61 -9.586 17.718 -3.719 1.00 2.20 C ATOM 2605 CE LYS B 61 -8.095 17.611 -3.381 1.00 3.81 C ATOM 2606 NZ LYS B 61 -7.688 18.478 -2.260 1.00 4.22 N ATOM 0 H LYS B 61 -12.111 15.010 -4.219 1.00 1.07 H new ATOM 0 HA LYS B 61 -12.692 16.082 -6.756 1.00 1.15 H new ATOM 0 HB2 LYS B 61 -11.122 17.773 -6.169 1.00 1.32 H new ATOM 0 HB3 LYS B 61 -11.994 17.326 -4.716 1.00 1.32 H new ATOM 0 HG2 LYS B 61 -10.011 15.687 -4.260 1.00 1.97 H new ATOM 0 HG3 LYS B 61 -9.150 16.590 -5.490 1.00 1.97 H new ATOM 0 HD2 LYS B 61 -9.812 18.711 -4.108 1.00 2.20 H new ATOM 0 HD3 LYS B 61 -10.185 17.584 -2.818 1.00 2.20 H new ATOM 0 HE2 LYS B 61 -7.859 16.576 -3.135 1.00 3.81 H new ATOM 0 HE3 LYS B 61 -7.510 17.871 -4.263 1.00 3.81 H new ATOM 0 HZ1 LYS B 61 -6.674 18.347 -2.070 1.00 4.22 H new ATOM 0 HZ2 LYS B 61 -7.869 19.472 -2.507 1.00 4.22 H new ATOM 0 HZ3 LYS B 61 -8.234 18.227 -1.411 1.00 4.22 H new ATOM 2620 N SER B 62 -9.852 14.400 -6.629 1.00 1.03 N ATOM 2621 CA SER B 62 -8.845 13.680 -7.407 1.00 1.00 C ATOM 2622 C SER B 62 -9.491 12.744 -8.435 1.00 0.95 C ATOM 2623 O SER B 62 -8.889 12.518 -9.482 1.00 1.11 O ATOM 2624 CB SER B 62 -7.850 12.922 -6.504 1.00 1.02 C ATOM 2625 OG SER B 62 -6.710 12.476 -7.233 1.00 1.61 O ATOM 0 H SER B 62 -9.720 14.311 -5.621 1.00 1.03 H new ATOM 0 HA SER B 62 -8.274 14.429 -7.956 1.00 1.00 H new ATOM 0 HB2 SER B 62 -7.530 13.572 -5.690 1.00 1.02 H new ATOM 0 HB3 SER B 62 -8.350 12.066 -6.051 1.00 1.02 H new ATOM 0 HG SER B 62 -6.880 11.579 -7.589 1.00 1.61 H new ATOM 2631 N LEU B 63 -10.677 12.190 -8.152 1.00 0.92 N ATOM 2632 CA LEU B 63 -11.452 11.482 -9.163 1.00 0.98 C ATOM 2633 C LEU B 63 -12.155 12.506 -10.063 1.00 1.06 C ATOM 2634 O LEU B 63 -11.873 12.577 -11.257 1.00 1.19 O ATOM 2635 CB LEU B 63 -12.408 10.438 -8.533 1.00 1.01 C ATOM 2636 CG LEU B 63 -11.766 9.212 -7.848 1.00 1.04 C ATOM 2637 CD1 LEU B 63 -10.265 9.288 -7.542 1.00 1.07 C ATOM 2638 CD2 LEU B 63 -12.471 8.968 -6.511 1.00 1.36 C ATOM 0 H LEU B 63 -11.115 12.222 -7.231 1.00 0.92 H new ATOM 0 HA LEU B 63 -10.785 10.894 -9.793 1.00 0.98 H new ATOM 0 HB2 LEU B 63 -13.028 10.950 -7.797 1.00 1.01 H new ATOM 0 HB3 LEU B 63 -13.075 10.076 -9.315 1.00 1.01 H new ATOM 0 HG LEU B 63 -11.885 8.415 -8.581 1.00 1.04 H new ATOM 0 HD11 LEU B 63 -9.944 8.363 -7.062 1.00 1.07 H new ATOM 0 HD12 LEU B 63 -9.711 9.426 -8.470 1.00 1.07 H new ATOM 0 HD13 LEU B 63 -10.072 10.129 -6.875 1.00 1.07 H new ATOM 0 HD21 LEU B 63 -12.026 8.104 -6.017 1.00 1.36 H new ATOM 0 HD22 LEU B 63 -12.360 9.846 -5.875 1.00 1.36 H new ATOM 0 HD23 LEU B 63 -13.530 8.780 -6.687 1.00 1.36 H new ATOM 2650 N ASP B 64 -13.032 13.319 -9.476 1.00 1.04 N ATOM 2651 CA ASP B 64 -13.969 14.231 -10.118 1.00 1.10 C ATOM 2652 C ASP B 64 -13.364 14.939 -11.330 1.00 1.12 C ATOM 2653 O ASP B 64 -13.945 14.899 -12.413 1.00 1.17 O ATOM 2654 CB ASP B 64 -14.444 15.248 -9.077 1.00 1.16 C ATOM 2655 CG ASP B 64 -15.507 16.175 -9.641 1.00 1.29 C ATOM 2656 OD1 ASP B 64 -15.105 17.222 -10.191 1.00 2.75 O ATOM 2657 OD2 ASP B 64 -16.698 15.826 -9.489 1.00 1.97 O ATOM 0 H ASP B 64 -13.109 13.358 -8.460 1.00 1.04 H new ATOM 0 HA ASP B 64 -14.811 13.652 -10.497 1.00 1.10 H new ATOM 0 HB2 ASP B 64 -14.843 14.722 -8.210 1.00 1.16 H new ATOM 0 HB3 ASP B 64 -13.595 15.837 -8.730 1.00 1.16 H new ATOM 2662 N VAL B 65 -12.173 15.521 -11.138 1.00 1.12 N ATOM 2663 CA VAL B 65 -11.468 16.352 -12.117 1.00 1.18 C ATOM 2664 C VAL B 65 -11.603 15.798 -13.532 1.00 1.29 C ATOM 2665 O VAL B 65 -12.105 16.469 -14.431 1.00 1.42 O ATOM 2666 CB VAL B 65 -9.984 16.450 -11.715 1.00 1.19 C ATOM 2667 CG1 VAL B 65 -9.076 17.005 -12.823 1.00 1.80 C ATOM 2668 CG2 VAL B 65 -9.855 17.373 -10.511 1.00 1.57 C ATOM 0 H VAL B 65 -11.657 15.421 -10.264 1.00 1.12 H new ATOM 0 HA VAL B 65 -11.919 17.345 -12.119 1.00 1.18 H new ATOM 0 HB VAL B 65 -9.660 15.432 -11.499 1.00 1.19 H new ATOM 0 HG11 VAL B 65 -8.047 17.044 -12.465 1.00 1.80 H new ATOM 0 HG12 VAL B 65 -9.132 16.357 -13.698 1.00 1.80 H new ATOM 0 HG13 VAL B 65 -9.404 18.009 -13.094 1.00 1.80 H new ATOM 0 HG21 VAL B 65 -8.807 17.448 -10.220 1.00 1.57 H new ATOM 0 HG22 VAL B 65 -10.231 18.363 -10.769 1.00 1.57 H new ATOM 0 HG23 VAL B 65 -10.434 16.970 -9.680 1.00 1.57 H new ATOM 2678 N ASN B 66 -11.121 14.571 -13.719 1.00 1.28 N ATOM 2679 CA ASN B 66 -11.223 13.862 -14.995 1.00 1.41 C ATOM 2680 C ASN B 66 -11.300 12.359 -14.746 1.00 1.45 C ATOM 2681 O ASN B 66 -10.493 11.588 -15.266 1.00 1.58 O ATOM 2682 CB ASN B 66 -10.037 14.207 -15.917 1.00 1.48 C ATOM 2683 CG ASN B 66 -10.106 15.612 -16.510 1.00 1.80 C ATOM 2684 OD1 ASN B 66 -9.293 16.472 -16.188 1.00 2.44 O ATOM 2685 ND2 ASN B 66 -11.052 15.852 -17.415 1.00 2.90 N ATOM 0 H ASN B 66 -10.648 14.038 -12.989 1.00 1.28 H new ATOM 0 HA ASN B 66 -12.134 14.182 -15.500 1.00 1.41 H new ATOM 0 HB2 ASN B 66 -9.109 14.106 -15.354 1.00 1.48 H new ATOM 0 HB3 ASN B 66 -9.997 13.481 -16.729 1.00 1.48 H new ATOM 0 HD21 ASN B 66 -11.113 16.769 -17.858 1.00 2.90 H new ATOM 0 HD22 ASN B 66 -11.716 15.119 -17.665 1.00 2.90 H new ATOM 2692 N GLN B 67 -12.306 11.921 -13.986 1.00 1.42 N ATOM 2693 CA GLN B 67 -12.394 10.535 -13.560 1.00 1.38 C ATOM 2694 C GLN B 67 -12.628 9.565 -14.713 1.00 1.71 C ATOM 2695 O GLN B 67 -12.434 8.363 -14.543 1.00 1.92 O ATOM 2696 CB GLN B 67 -13.473 10.322 -12.507 1.00 1.37 C ATOM 2697 CG GLN B 67 -14.723 11.173 -12.769 1.00 1.81 C ATOM 2698 CD GLN B 67 -15.941 10.561 -12.105 1.00 2.73 C ATOM 2699 OE1 GLN B 67 -16.163 10.728 -10.911 1.00 3.72 O ATOM 2700 NE2 GLN B 67 -16.710 9.798 -12.872 1.00 3.60 N ATOM 0 H GLN B 67 -13.069 12.512 -13.656 1.00 1.42 H new ATOM 0 HA GLN B 67 -11.419 10.318 -13.125 1.00 1.38 H new ATOM 0 HB2 GLN B 67 -13.752 9.269 -12.485 1.00 1.37 H new ATOM 0 HB3 GLN B 67 -13.070 10.566 -11.524 1.00 1.37 H new ATOM 0 HG2 GLN B 67 -14.566 12.183 -12.391 1.00 1.81 H new ATOM 0 HG3 GLN B 67 -14.892 11.257 -13.842 1.00 1.81 H new ATOM 0 HE21 GLN B 67 -16.491 9.685 -13.862 1.00 3.60 H new ATOM 0 HE22 GLN B 67 -17.520 9.325 -12.472 1.00 3.60 H new ATOM 2709 N ASP B 68 -13.119 10.076 -15.841 1.00 1.84 N ATOM 2710 CA ASP B 68 -13.199 9.347 -17.095 1.00 1.98 C ATOM 2711 C ASP B 68 -11.845 8.717 -17.446 1.00 2.01 C ATOM 2712 O ASP B 68 -11.790 7.598 -17.953 1.00 2.19 O ATOM 2713 CB ASP B 68 -13.644 10.336 -18.177 1.00 1.93 C ATOM 2714 CG ASP B 68 -13.524 9.738 -19.570 1.00 2.19 C ATOM 2715 OD1 ASP B 68 -14.485 9.052 -19.976 1.00 3.41 O ATOM 2716 OD2 ASP B 68 -12.478 10.003 -20.200 1.00 2.66 O ATOM 0 H ASP B 68 -13.478 11.028 -15.905 1.00 1.84 H new ATOM 0 HA ASP B 68 -13.916 8.530 -17.015 1.00 1.98 H new ATOM 0 HB2 ASP B 68 -14.677 10.633 -17.996 1.00 1.93 H new ATOM 0 HB3 ASP B 68 -13.038 11.240 -18.116 1.00 1.93 H new ATOM 2721 N SER B 69 -10.757 9.434 -17.144 1.00 1.93 N ATOM 2722 CA SER B 69 -9.411 8.966 -17.415 1.00 1.98 C ATOM 2723 C SER B 69 -9.024 7.805 -16.491 1.00 2.05 C ATOM 2724 O SER B 69 -9.854 7.224 -15.783 1.00 3.29 O ATOM 2725 CB SER B 69 -8.432 10.144 -17.296 1.00 2.07 C ATOM 2726 OG SER B 69 -7.186 9.817 -17.887 1.00 2.24 O ATOM 0 H SER B 69 -10.794 10.354 -16.705 1.00 1.93 H new ATOM 0 HA SER B 69 -9.366 8.576 -18.432 1.00 1.98 H new ATOM 0 HB2 SER B 69 -8.852 11.024 -17.783 1.00 2.07 H new ATOM 0 HB3 SER B 69 -8.287 10.399 -16.246 1.00 2.07 H new ATOM 0 HG SER B 69 -6.575 10.579 -17.804 1.00 2.24 H new ATOM 2732 N GLU B 70 -7.730 7.480 -16.502 1.00 1.33 N ATOM 2733 CA GLU B 70 -7.175 6.333 -15.812 1.00 1.34 C ATOM 2734 C GLU B 70 -6.187 6.697 -14.730 1.00 1.33 C ATOM 2735 O GLU B 70 -5.707 7.824 -14.624 1.00 1.54 O ATOM 2736 CB GLU B 70 -6.527 5.361 -16.795 1.00 1.37 C ATOM 2737 CG GLU B 70 -7.593 4.794 -17.723 1.00 2.05 C ATOM 2738 CD GLU B 70 -7.080 3.589 -18.477 1.00 2.43 C ATOM 2739 OE1 GLU B 70 -5.845 3.402 -18.556 1.00 2.27 O ATOM 2740 OE2 GLU B 70 -7.881 2.688 -18.784 1.00 3.75 O ATOM 0 H GLU B 70 -7.030 8.025 -17.005 1.00 1.33 H new ATOM 0 HA GLU B 70 -8.021 5.852 -15.322 1.00 1.34 H new ATOM 0 HB2 GLU B 70 -5.758 5.872 -17.375 1.00 1.37 H new ATOM 0 HB3 GLU B 70 -6.034 4.554 -16.254 1.00 1.37 H new ATOM 0 HG2 GLU B 70 -8.472 4.515 -17.143 1.00 2.05 H new ATOM 0 HG3 GLU B 70 -7.908 5.561 -18.430 1.00 2.05 H new ATOM 2747 N LEU B 71 -5.888 5.667 -13.947 1.00 1.23 N ATOM 2748 CA LEU B 71 -4.825 5.678 -12.962 1.00 1.27 C ATOM 2749 C LEU B 71 -3.914 4.473 -13.179 1.00 0.98 C ATOM 2750 O LEU B 71 -4.179 3.619 -14.025 1.00 1.12 O ATOM 2751 CB LEU B 71 -5.384 5.812 -11.534 1.00 1.92 C ATOM 2752 CG LEU B 71 -6.684 5.071 -11.208 1.00 1.72 C ATOM 2753 CD1 LEU B 71 -6.439 3.565 -11.160 1.00 2.13 C ATOM 2754 CD2 LEU B 71 -7.159 5.546 -9.829 1.00 2.46 C ATOM 0 H LEU B 71 -6.393 4.782 -13.984 1.00 1.23 H new ATOM 0 HA LEU B 71 -4.202 6.563 -13.094 1.00 1.27 H new ATOM 0 HB2 LEU B 71 -4.618 5.467 -10.840 1.00 1.92 H new ATOM 0 HB3 LEU B 71 -5.542 6.872 -11.333 1.00 1.92 H new ATOM 0 HG LEU B 71 -7.431 5.277 -11.974 1.00 1.72 H new ATOM 0 HD11 LEU B 71 -7.372 3.052 -10.927 1.00 2.13 H new ATOM 0 HD12 LEU B 71 -6.070 3.225 -12.128 1.00 2.13 H new ATOM 0 HD13 LEU B 71 -5.700 3.341 -10.391 1.00 2.13 H new ATOM 0 HD21 LEU B 71 -8.086 5.035 -9.567 1.00 2.46 H new ATOM 0 HD22 LEU B 71 -6.397 5.319 -9.084 1.00 2.46 H new ATOM 0 HD23 LEU B 71 -7.333 6.622 -9.855 1.00 2.46 H new ATOM 2766 N LYS B 72 -2.804 4.433 -12.439 1.00 0.79 N ATOM 2767 CA LYS B 72 -1.776 3.411 -12.496 1.00 0.82 C ATOM 2768 C LYS B 72 -1.480 2.947 -11.069 1.00 0.79 C ATOM 2769 O LYS B 72 -1.968 3.550 -10.111 1.00 0.67 O ATOM 2770 CB LYS B 72 -0.530 3.987 -13.181 1.00 0.90 C ATOM 2771 CG LYS B 72 -0.891 4.532 -14.576 1.00 1.13 C ATOM 2772 CD LYS B 72 0.232 4.386 -15.612 1.00 2.05 C ATOM 2773 CE LYS B 72 0.451 2.892 -15.892 1.00 3.54 C ATOM 2774 NZ LYS B 72 1.139 2.603 -17.162 1.00 4.93 N ATOM 0 H LYS B 72 -2.594 5.155 -11.749 1.00 0.79 H new ATOM 0 HA LYS B 72 -2.105 2.551 -13.079 1.00 0.82 H new ATOM 0 HB2 LYS B 72 -0.106 4.784 -12.570 1.00 0.90 H new ATOM 0 HB3 LYS B 72 0.234 3.215 -13.271 1.00 0.90 H new ATOM 0 HG2 LYS B 72 -1.777 4.012 -14.940 1.00 1.13 H new ATOM 0 HG3 LYS B 72 -1.154 5.586 -14.486 1.00 1.13 H new ATOM 0 HD2 LYS B 72 -0.032 4.908 -16.532 1.00 2.05 H new ATOM 0 HD3 LYS B 72 1.151 4.840 -15.240 1.00 2.05 H new ATOM 0 HE2 LYS B 72 1.030 2.463 -15.074 1.00 3.54 H new ATOM 0 HE3 LYS B 72 -0.517 2.390 -15.895 1.00 3.54 H new ATOM 0 HZ1 LYS B 72 1.397 1.596 -17.196 1.00 4.93 H new ATOM 0 HZ2 LYS B 72 0.507 2.825 -17.958 1.00 4.93 H new ATOM 0 HZ3 LYS B 72 1.999 3.183 -17.231 1.00 4.93 H new ATOM 2788 N PHE B 73 -0.691 1.876 -10.939 1.00 0.95 N ATOM 2789 CA PHE B 73 -0.367 1.241 -9.666 1.00 0.94 C ATOM 2790 C PHE B 73 0.064 2.256 -8.596 1.00 0.78 C ATOM 2791 O PHE B 73 -0.370 2.135 -7.456 1.00 0.66 O ATOM 2792 CB PHE B 73 0.600 0.052 -9.847 1.00 1.28 C ATOM 2793 CG PHE B 73 1.931 0.389 -10.489 1.00 0.82 C ATOM 2794 CD1 PHE B 73 2.026 0.620 -11.878 1.00 2.10 C ATOM 2795 CD2 PHE B 73 3.095 0.429 -9.700 1.00 2.12 C ATOM 2796 CE1 PHE B 73 3.233 1.082 -12.430 1.00 2.50 C ATOM 2797 CE2 PHE B 73 4.332 0.729 -10.291 1.00 2.97 C ATOM 2798 CZ PHE B 73 4.390 1.135 -11.634 1.00 2.64 C ATOM 0 H PHE B 73 -0.251 1.419 -11.738 1.00 0.95 H new ATOM 0 HA PHE B 73 -1.285 0.805 -9.273 1.00 0.94 H new ATOM 0 HB2 PHE B 73 0.789 -0.393 -8.870 1.00 1.28 H new ATOM 0 HB3 PHE B 73 0.106 -0.708 -10.453 1.00 1.28 H new ATOM 0 HD1 PHE B 73 1.173 0.442 -12.516 1.00 2.10 H new ATOM 0 HD2 PHE B 73 3.037 0.229 -8.640 1.00 2.12 H new ATOM 0 HE1 PHE B 73 3.271 1.395 -13.463 1.00 2.50 H new ATOM 0 HE2 PHE B 73 5.240 0.648 -9.712 1.00 2.97 H new ATOM 0 HZ PHE B 73 5.321 1.487 -12.054 1.00 2.64 H new ATOM 2808 N ASN B 74 0.853 3.281 -8.950 1.00 0.90 N ATOM 2809 CA ASN B 74 1.224 4.353 -8.018 1.00 0.91 C ATOM 2810 C ASN B 74 0.005 5.056 -7.422 1.00 0.77 C ATOM 2811 O ASN B 74 -0.103 5.216 -6.207 1.00 0.81 O ATOM 2812 CB ASN B 74 2.091 5.416 -8.704 1.00 1.19 C ATOM 2813 CG ASN B 74 2.603 6.427 -7.674 1.00 1.41 C ATOM 2814 OD1 ASN B 74 3.640 6.187 -7.066 1.00 2.53 O ATOM 2815 ND2 ASN B 74 1.935 7.559 -7.453 1.00 2.21 N ATOM 0 H ASN B 74 1.249 3.389 -9.884 1.00 0.90 H new ATOM 0 HA ASN B 74 1.783 3.865 -7.220 1.00 0.91 H new ATOM 0 HB2 ASN B 74 2.933 4.940 -9.207 1.00 1.19 H new ATOM 0 HB3 ASN B 74 1.511 5.929 -9.471 1.00 1.19 H new ATOM 0 HD21 ASN B 74 2.286 8.234 -6.773 1.00 2.21 H new ATOM 0 HD22 ASN B 74 1.073 7.750 -7.964 1.00 2.21 H new ATOM 2822 N GLU B 75 -0.897 5.514 -8.294 1.00 0.71 N ATOM 2823 CA GLU B 75 -2.050 6.278 -7.862 1.00 0.63 C ATOM 2824 C GLU B 75 -3.007 5.372 -7.107 1.00 0.63 C ATOM 2825 O GLU B 75 -3.435 5.735 -6.015 1.00 0.70 O ATOM 2826 CB GLU B 75 -2.716 7.002 -9.037 1.00 0.71 C ATOM 2827 CG GLU B 75 -1.848 8.145 -9.578 1.00 1.10 C ATOM 2828 CD GLU B 75 -1.434 9.098 -8.466 1.00 2.68 C ATOM 2829 OE1 GLU B 75 -2.320 9.836 -7.965 1.00 4.04 O ATOM 2830 OE2 GLU B 75 -0.252 8.993 -8.072 1.00 3.44 O ATOM 0 H GLU B 75 -0.843 5.364 -9.302 1.00 0.71 H new ATOM 0 HA GLU B 75 -1.726 7.062 -7.178 1.00 0.63 H new ATOM 0 HB2 GLU B 75 -2.914 6.288 -9.837 1.00 0.71 H new ATOM 0 HB3 GLU B 75 -3.680 7.399 -8.718 1.00 0.71 H new ATOM 0 HG2 GLU B 75 -0.960 7.734 -10.058 1.00 1.10 H new ATOM 0 HG3 GLU B 75 -2.399 8.692 -10.343 1.00 1.10 H new ATOM 2837 N TYR B 76 -3.285 4.176 -7.640 1.00 0.63 N ATOM 2838 CA TYR B 76 -3.954 3.132 -6.869 1.00 0.67 C ATOM 2839 C TYR B 76 -3.369 3.115 -5.460 1.00 0.62 C ATOM 2840 O TYR B 76 -4.111 3.200 -4.489 1.00 0.63 O ATOM 2841 CB TYR B 76 -3.798 1.771 -7.558 1.00 0.75 C ATOM 2842 CG TYR B 76 -4.121 0.545 -6.711 1.00 1.04 C ATOM 2843 CD1 TYR B 76 -3.183 0.076 -5.769 1.00 2.32 C ATOM 2844 CD2 TYR B 76 -5.227 -0.267 -7.032 1.00 2.48 C ATOM 2845 CE1 TYR B 76 -3.434 -1.093 -5.037 1.00 2.65 C ATOM 2846 CE2 TYR B 76 -5.441 -1.478 -6.350 1.00 2.61 C ATOM 2847 CZ TYR B 76 -4.543 -1.890 -5.350 1.00 1.86 C ATOM 2848 OH TYR B 76 -4.687 -3.098 -4.740 1.00 2.29 O ATOM 0 H TYR B 76 -3.056 3.912 -8.598 1.00 0.63 H new ATOM 0 HA TYR B 76 -5.022 3.340 -6.808 1.00 0.67 H new ATOM 0 HB2 TYR B 76 -4.440 1.758 -8.439 1.00 0.75 H new ATOM 0 HB3 TYR B 76 -2.771 1.682 -7.911 1.00 0.75 H new ATOM 0 HD1 TYR B 76 -2.264 0.621 -5.610 1.00 2.32 H new ATOM 0 HD2 TYR B 76 -5.914 0.042 -7.806 1.00 2.48 H new ATOM 0 HE1 TYR B 76 -2.773 -1.379 -4.232 1.00 2.65 H new ATOM 0 HE2 TYR B 76 -6.295 -2.092 -6.595 1.00 2.61 H new ATOM 0 HH TYR B 76 -4.282 -3.064 -3.848 1.00 2.29 H new ATOM 2858 N TRP B 77 -2.039 3.050 -5.350 1.00 0.58 N ATOM 2859 CA TRP B 77 -1.370 2.979 -4.075 1.00 0.56 C ATOM 2860 C TRP B 77 -1.812 4.080 -3.118 1.00 0.55 C ATOM 2861 O TRP B 77 -2.517 3.820 -2.145 1.00 0.54 O ATOM 2862 CB TRP B 77 0.141 2.992 -4.286 1.00 0.60 C ATOM 2863 CG TRP B 77 0.774 2.032 -3.382 1.00 0.49 C ATOM 2864 CD1 TRP B 77 0.981 2.256 -2.078 1.00 0.49 C ATOM 2865 CD2 TRP B 77 1.268 0.706 -3.681 1.00 0.46 C ATOM 2866 NE1 TRP B 77 1.559 1.132 -1.534 1.00 0.44 N ATOM 2867 CE2 TRP B 77 1.828 0.172 -2.492 1.00 0.43 C ATOM 2868 CE3 TRP B 77 1.351 -0.074 -4.851 1.00 0.51 C ATOM 2869 CZ2 TRP B 77 2.489 -1.064 -2.481 1.00 0.48 C ATOM 2870 CZ3 TRP B 77 2.025 -1.303 -4.833 1.00 0.53 C ATOM 2871 CH2 TRP B 77 2.579 -1.806 -3.660 1.00 0.55 C ATOM 0 H TRP B 77 -1.407 3.046 -6.151 1.00 0.58 H new ATOM 0 HA TRP B 77 -1.654 2.040 -3.600 1.00 0.56 H new ATOM 0 HB2 TRP B 77 0.375 2.741 -5.320 1.00 0.60 H new ATOM 0 HB3 TRP B 77 0.535 3.992 -4.104 1.00 0.60 H new ATOM 0 HD1 TRP B 77 0.736 3.163 -1.545 1.00 0.49 H new ATOM 0 HE1 TRP B 77 1.765 1.020 -0.541 1.00 0.44 H new ATOM 0 HE3 TRP B 77 0.894 0.276 -5.765 1.00 0.51 H new ATOM 0 HZ2 TRP B 77 2.925 -1.439 -1.567 1.00 0.48 H new ATOM 0 HZ3 TRP B 77 2.116 -1.870 -5.747 1.00 0.53 H new ATOM 0 HH2 TRP B 77 3.076 -2.765 -3.662 1.00 0.55 H new ATOM 2882 N ARG B 78 -1.385 5.316 -3.368 1.00 0.57 N ATOM 2883 CA ARG B 78 -1.750 6.423 -2.509 1.00 0.58 C ATOM 2884 C ARG B 78 -3.278 6.499 -2.297 1.00 0.60 C ATOM 2885 O ARG B 78 -3.704 6.740 -1.172 1.00 0.65 O ATOM 2886 CB ARG B 78 -1.060 7.701 -3.006 1.00 0.69 C ATOM 2887 CG ARG B 78 -1.521 8.245 -4.354 1.00 1.33 C ATOM 2888 CD ARG B 78 -2.612 9.281 -4.122 1.00 2.60 C ATOM 2889 NE ARG B 78 -2.993 9.934 -5.381 1.00 3.33 N ATOM 2890 CZ ARG B 78 -4.054 10.731 -5.562 1.00 4.98 C ATOM 2891 NH1 ARG B 78 -4.858 11.054 -4.543 1.00 6.31 N ATOM 2892 NH2 ARG B 78 -4.299 11.173 -6.797 1.00 5.79 N ATOM 0 H ARG B 78 -0.789 5.568 -4.156 1.00 0.57 H new ATOM 0 HA ARG B 78 -1.376 6.271 -1.496 1.00 0.58 H new ATOM 0 HB2 ARG B 78 -1.204 8.480 -2.257 1.00 0.69 H new ATOM 0 HB3 ARG B 78 0.011 7.509 -3.064 1.00 0.69 H new ATOM 0 HG2 ARG B 78 -0.682 8.694 -4.886 1.00 1.33 H new ATOM 0 HG3 ARG B 78 -1.897 7.435 -4.978 1.00 1.33 H new ATOM 0 HD2 ARG B 78 -3.485 8.802 -3.678 1.00 2.60 H new ATOM 0 HD3 ARG B 78 -2.263 10.030 -3.411 1.00 2.60 H new ATOM 0 HE ARG B 78 -2.396 9.765 -6.191 1.00 3.33 H new ATOM 0 HH11 ARG B 78 -4.668 10.692 -3.609 1.00 6.31 H new ATOM 0 HH12 ARG B 78 -5.661 11.662 -4.700 1.00 6.31 H new ATOM 0 HH21 ARG B 78 -3.687 10.902 -7.566 1.00 5.79 H new ATOM 0 HH22 ARG B 78 -5.099 11.782 -6.972 1.00 5.79 H new ATOM 2906 N LEU B 79 -4.112 6.210 -3.312 1.00 0.61 N ATOM 2907 CA LEU B 79 -5.568 6.160 -3.135 1.00 0.66 C ATOM 2908 C LEU B 79 -5.994 5.080 -2.119 1.00 0.62 C ATOM 2909 O LEU B 79 -6.885 5.330 -1.306 1.00 0.71 O ATOM 2910 CB LEU B 79 -6.336 5.967 -4.461 1.00 0.73 C ATOM 2911 CG LEU B 79 -6.654 7.241 -5.278 1.00 0.94 C ATOM 2912 CD1 LEU B 79 -5.462 7.797 -6.045 1.00 1.65 C ATOM 2913 CD2 LEU B 79 -7.714 6.939 -6.337 1.00 1.37 C ATOM 0 H LEU B 79 -3.799 6.008 -4.262 1.00 0.61 H new ATOM 0 HA LEU B 79 -5.839 7.139 -2.738 1.00 0.66 H new ATOM 0 HB2 LEU B 79 -5.757 5.294 -5.094 1.00 0.73 H new ATOM 0 HB3 LEU B 79 -7.277 5.464 -4.238 1.00 0.73 H new ATOM 0 HG LEU B 79 -6.981 7.969 -4.536 1.00 0.94 H new ATOM 0 HD11 LEU B 79 -5.766 8.689 -6.592 1.00 1.65 H new ATOM 0 HD12 LEU B 79 -4.667 8.054 -5.345 1.00 1.65 H new ATOM 0 HD13 LEU B 79 -5.099 7.047 -6.747 1.00 1.65 H new ATOM 0 HD21 LEU B 79 -7.929 7.844 -6.905 1.00 1.37 H new ATOM 0 HD22 LEU B 79 -7.345 6.166 -7.011 1.00 1.37 H new ATOM 0 HD23 LEU B 79 -8.625 6.591 -5.851 1.00 1.37 H new ATOM 2925 N ILE B 80 -5.415 3.872 -2.137 1.00 0.55 N ATOM 2926 CA ILE B 80 -5.762 2.867 -1.127 1.00 0.55 C ATOM 2927 C ILE B 80 -5.213 3.273 0.243 1.00 0.52 C ATOM 2928 O ILE B 80 -5.830 3.001 1.269 1.00 0.54 O ATOM 2929 CB ILE B 80 -5.437 1.415 -1.527 1.00 0.55 C ATOM 2930 CG1 ILE B 80 -3.953 1.083 -1.706 1.00 0.87 C ATOM 2931 CG2 ILE B 80 -6.128 1.081 -2.836 1.00 0.60 C ATOM 2932 CD1 ILE B 80 -3.616 -0.306 -1.148 1.00 0.48 C ATOM 0 H ILE B 80 -4.721 3.573 -2.822 1.00 0.55 H new ATOM 0 HA ILE B 80 -6.850 2.856 -1.055 1.00 0.55 H new ATOM 0 HB ILE B 80 -5.792 0.823 -0.684 1.00 0.55 H new ATOM 0 HG12 ILE B 80 -3.695 1.123 -2.764 1.00 0.87 H new ATOM 0 HG13 ILE B 80 -3.347 1.836 -1.201 1.00 0.87 H new ATOM 0 HG21 ILE B 80 -5.897 0.054 -3.118 1.00 0.60 H new ATOM 0 HG22 ILE B 80 -7.206 1.191 -2.717 1.00 0.60 H new ATOM 0 HG23 ILE B 80 -5.778 1.758 -3.615 1.00 0.60 H new ATOM 0 HD11 ILE B 80 -2.555 -0.508 -1.292 1.00 0.48 H new ATOM 0 HD12 ILE B 80 -3.850 -0.337 -0.084 1.00 0.48 H new ATOM 0 HD13 ILE B 80 -4.203 -1.061 -1.671 1.00 0.48 H new ATOM 2944 N GLY B 81 -4.090 3.991 0.255 1.00 0.50 N ATOM 2945 CA GLY B 81 -3.610 4.699 1.437 1.00 0.54 C ATOM 2946 C GLY B 81 -4.686 5.624 2.004 1.00 0.63 C ATOM 2947 O GLY B 81 -5.035 5.555 3.183 1.00 0.75 O ATOM 0 H GLY B 81 -3.486 4.097 -0.560 1.00 0.50 H new ATOM 0 HA2 GLY B 81 -3.309 3.979 2.198 1.00 0.54 H new ATOM 0 HA3 GLY B 81 -2.725 5.281 1.181 1.00 0.54 H new ATOM 2951 N GLU B 82 -5.230 6.486 1.149 1.00 0.65 N ATOM 2952 CA GLU B 82 -6.345 7.350 1.478 1.00 0.81 C ATOM 2953 C GLU B 82 -7.514 6.513 2.018 1.00 0.81 C ATOM 2954 O GLU B 82 -8.016 6.810 3.097 1.00 0.89 O ATOM 2955 CB GLU B 82 -6.688 8.207 0.256 1.00 0.96 C ATOM 2956 CG GLU B 82 -5.611 9.274 -0.015 1.00 0.98 C ATOM 2957 CD GLU B 82 -5.742 9.867 -1.413 1.00 2.16 C ATOM 2958 OE1 GLU B 82 -6.894 10.007 -1.866 1.00 3.02 O ATOM 2959 OE2 GLU B 82 -4.696 10.158 -2.037 1.00 3.11 O ATOM 0 H GLU B 82 -4.897 6.601 0.192 1.00 0.65 H new ATOM 0 HA GLU B 82 -6.089 8.043 2.280 1.00 0.81 H new ATOM 0 HB2 GLU B 82 -6.793 7.566 -0.619 1.00 0.96 H new ATOM 0 HB3 GLU B 82 -7.651 8.694 0.412 1.00 0.96 H new ATOM 0 HG2 GLU B 82 -5.692 10.069 0.726 1.00 0.98 H new ATOM 0 HG3 GLU B 82 -4.622 8.830 0.101 1.00 0.98 H new ATOM 2966 N LEU B 83 -7.904 5.415 1.365 1.00 0.72 N ATOM 2967 CA LEU B 83 -8.929 4.533 1.931 1.00 0.69 C ATOM 2968 C LEU B 83 -8.570 4.043 3.338 1.00 0.69 C ATOM 2969 O LEU B 83 -9.397 4.117 4.249 1.00 0.74 O ATOM 2970 CB LEU B 83 -9.265 3.379 0.986 1.00 0.69 C ATOM 2971 CG LEU B 83 -10.195 3.901 -0.117 1.00 1.77 C ATOM 2972 CD1 LEU B 83 -9.887 3.230 -1.451 1.00 2.99 C ATOM 2973 CD2 LEU B 83 -11.665 3.672 0.256 1.00 2.29 C ATOM 0 H LEU B 83 -7.534 5.119 0.462 1.00 0.72 H new ATOM 0 HA LEU B 83 -9.833 5.132 2.040 1.00 0.69 H new ATOM 0 HB2 LEU B 83 -8.354 2.970 0.550 1.00 0.69 H new ATOM 0 HB3 LEU B 83 -9.747 2.569 1.534 1.00 0.69 H new ATOM 0 HG LEU B 83 -10.022 4.972 -0.217 1.00 1.77 H new ATOM 0 HD11 LEU B 83 -10.559 3.617 -2.217 1.00 2.99 H new ATOM 0 HD12 LEU B 83 -8.856 3.440 -1.734 1.00 2.99 H new ATOM 0 HD13 LEU B 83 -10.025 2.153 -1.357 1.00 2.99 H new ATOM 0 HD21 LEU B 83 -12.306 4.050 -0.541 1.00 2.29 H new ATOM 0 HD22 LEU B 83 -11.844 2.605 0.391 1.00 2.29 H new ATOM 0 HD23 LEU B 83 -11.891 4.198 1.184 1.00 2.29 H new ATOM 2985 N ALA B 84 -7.333 3.595 3.560 1.00 0.68 N ATOM 2986 CA ALA B 84 -6.869 3.265 4.898 1.00 0.74 C ATOM 2987 C ALA B 84 -7.001 4.452 5.872 1.00 0.88 C ATOM 2988 O ALA B 84 -7.095 4.229 7.078 1.00 0.99 O ATOM 2989 CB ALA B 84 -5.437 2.719 4.831 1.00 0.74 C ATOM 0 H ALA B 84 -6.638 3.454 2.827 1.00 0.68 H new ATOM 0 HA ALA B 84 -7.513 2.484 5.302 1.00 0.74 H new ATOM 0 HB1 ALA B 84 -5.094 2.473 5.836 1.00 0.74 H new ATOM 0 HB2 ALA B 84 -5.418 1.822 4.212 1.00 0.74 H new ATOM 0 HB3 ALA B 84 -4.780 3.473 4.398 1.00 0.74 H new ATOM 2995 N LYS B 85 -6.967 5.698 5.386 1.00 1.00 N ATOM 2996 CA LYS B 85 -7.193 6.925 6.158 1.00 1.26 C ATOM 2997 C LYS B 85 -8.686 7.193 6.348 1.00 1.30 C ATOM 2998 O LYS B 85 -9.083 7.724 7.386 1.00 1.64 O ATOM 2999 CB LYS B 85 -6.470 8.084 5.450 1.00 1.57 C ATOM 3000 CG LYS B 85 -6.119 9.341 6.263 1.00 1.32 C ATOM 3001 CD LYS B 85 -7.330 10.205 6.665 1.00 1.89 C ATOM 3002 CE LYS B 85 -6.977 11.706 6.705 1.00 2.60 C ATOM 3003 NZ LYS B 85 -7.297 12.412 5.440 1.00 3.01 N ATOM 0 H LYS B 85 -6.773 5.887 4.403 1.00 1.00 H new ATOM 0 HA LYS B 85 -6.782 6.818 7.162 1.00 1.26 H new ATOM 0 HB2 LYS B 85 -5.543 7.690 5.033 1.00 1.57 H new ATOM 0 HB3 LYS B 85 -7.090 8.396 4.610 1.00 1.57 H new ATOM 0 HG2 LYS B 85 -5.590 9.037 7.167 1.00 1.32 H new ATOM 0 HG3 LYS B 85 -5.430 9.953 5.681 1.00 1.32 H new ATOM 0 HD2 LYS B 85 -8.143 10.042 5.958 1.00 1.89 H new ATOM 0 HD3 LYS B 85 -7.691 9.891 7.644 1.00 1.89 H new ATOM 0 HE2 LYS B 85 -7.518 12.179 7.525 1.00 2.60 H new ATOM 0 HE3 LYS B 85 -5.914 11.818 6.918 1.00 2.60 H new ATOM 0 HZ1 LYS B 85 -6.584 13.148 5.263 1.00 3.01 H new ATOM 0 HZ2 LYS B 85 -7.295 11.732 4.653 1.00 3.01 H new ATOM 0 HZ3 LYS B 85 -8.236 12.852 5.516 1.00 3.01 H new ATOM 3017 N GLU B 86 -9.523 6.808 5.389 1.00 1.01 N ATOM 3018 CA GLU B 86 -10.967 6.769 5.546 1.00 0.89 C ATOM 3019 C GLU B 86 -11.317 5.826 6.700 1.00 0.85 C ATOM 3020 O GLU B 86 -11.707 6.313 7.768 1.00 1.05 O ATOM 3021 CB GLU B 86 -11.625 6.474 4.190 1.00 0.87 C ATOM 3022 CG GLU B 86 -11.464 7.732 3.313 1.00 1.03 C ATOM 3023 CD GLU B 86 -11.185 7.467 1.840 1.00 1.68 C ATOM 3024 OE1 GLU B 86 -11.995 6.801 1.163 1.00 3.02 O ATOM 3025 OE2 GLU B 86 -10.172 8.000 1.334 1.00 2.24 O ATOM 0 H GLU B 86 -9.208 6.510 4.466 1.00 1.01 H new ATOM 0 HA GLU B 86 -11.383 7.733 5.839 1.00 0.89 H new ATOM 0 HB2 GLU B 86 -11.155 5.613 3.715 1.00 0.87 H new ATOM 0 HB3 GLU B 86 -12.679 6.230 4.320 1.00 0.87 H new ATOM 0 HG2 GLU B 86 -12.373 8.329 3.392 1.00 1.03 H new ATOM 0 HG3 GLU B 86 -10.651 8.335 3.717 1.00 1.03 H new ATOM 3032 N ILE B 87 -11.154 4.511 6.547 1.00 0.77 N ATOM 3033 CA ILE B 87 -11.662 3.572 7.546 1.00 0.92 C ATOM 3034 C ILE B 87 -10.702 3.476 8.751 1.00 1.13 C ATOM 3035 O ILE B 87 -9.504 3.233 8.617 1.00 1.41 O ATOM 3036 CB ILE B 87 -11.980 2.205 6.897 1.00 1.02 C ATOM 3037 CG1 ILE B 87 -12.553 1.167 7.879 1.00 1.71 C ATOM 3038 CG2 ILE B 87 -10.778 1.557 6.194 1.00 1.29 C ATOM 3039 CD1 ILE B 87 -13.767 1.649 8.675 1.00 1.84 C ATOM 0 H ILE B 87 -10.682 4.078 5.754 1.00 0.77 H new ATOM 0 HA ILE B 87 -12.605 3.947 7.944 1.00 0.92 H new ATOM 0 HB ILE B 87 -12.738 2.466 6.159 1.00 1.02 H new ATOM 0 HG12 ILE B 87 -12.832 0.273 7.321 1.00 1.71 H new ATOM 0 HG13 ILE B 87 -11.769 0.875 8.578 1.00 1.71 H new ATOM 0 HG21 ILE B 87 -11.080 0.602 5.764 1.00 1.29 H new ATOM 0 HG22 ILE B 87 -10.421 2.215 5.402 1.00 1.29 H new ATOM 0 HG23 ILE B 87 -9.979 1.393 6.917 1.00 1.29 H new ATOM 0 HD11 ILE B 87 -14.104 0.855 9.341 1.00 1.84 H new ATOM 0 HD12 ILE B 87 -13.492 2.524 9.264 1.00 1.84 H new ATOM 0 HD13 ILE B 87 -14.571 1.912 7.988 1.00 1.84 H new ATOM 3051 N ARG B 88 -11.237 3.654 9.965 1.00 1.17 N ATOM 3052 CA ARG B 88 -10.511 3.570 11.233 1.00 1.36 C ATOM 3053 C ARG B 88 -10.347 2.099 11.617 1.00 1.32 C ATOM 3054 O ARG B 88 -10.793 1.661 12.672 1.00 1.58 O ATOM 3055 CB ARG B 88 -11.300 4.302 12.338 1.00 1.54 C ATOM 3056 CG ARG B 88 -11.426 5.814 12.132 1.00 2.29 C ATOM 3057 CD ARG B 88 -10.117 6.537 12.493 1.00 2.65 C ATOM 3058 NE ARG B 88 -9.945 7.773 11.715 1.00 3.93 N ATOM 3059 CZ ARG B 88 -9.683 7.783 10.400 1.00 5.02 C ATOM 3060 NH1 ARG B 88 -9.574 6.632 9.737 1.00 5.39 N ATOM 3061 NH2 ARG B 88 -9.548 8.925 9.725 1.00 6.54 N ATOM 0 H ARG B 88 -12.226 3.869 10.093 1.00 1.17 H new ATOM 0 HA ARG B 88 -9.532 4.037 11.123 1.00 1.36 H new ATOM 0 HB2 ARG B 88 -12.300 3.872 12.399 1.00 1.54 H new ATOM 0 HB3 ARG B 88 -10.815 4.118 13.296 1.00 1.54 H new ATOM 0 HG2 ARG B 88 -11.684 6.022 11.094 1.00 2.29 H new ATOM 0 HG3 ARG B 88 -12.239 6.201 12.746 1.00 2.29 H new ATOM 0 HD2 ARG B 88 -10.114 6.774 13.557 1.00 2.65 H new ATOM 0 HD3 ARG B 88 -9.272 5.872 12.311 1.00 2.65 H new ATOM 0 HE ARG B 88 -10.029 8.667 12.200 1.00 3.93 H new ATOM 0 HH11 ARG B 88 -9.690 5.747 10.230 1.00 5.39 H new ATOM 0 HH12 ARG B 88 -9.375 6.637 8.737 1.00 5.39 H new ATOM 0 HH21 ARG B 88 -9.644 9.818 10.209 1.00 6.54 H new ATOM 0 HH22 ARG B 88 -9.349 8.906 8.725 1.00 6.54 H new ATOM 3075 N LYS B 89 -9.650 1.356 10.758 1.00 1.25 N ATOM 3076 CA LYS B 89 -9.544 -0.094 10.843 1.00 1.24 C ATOM 3077 C LYS B 89 -8.891 -0.601 12.137 1.00 1.45 C ATOM 3078 O LYS B 89 -9.024 -1.774 12.479 1.00 1.50 O ATOM 3079 CB LYS B 89 -8.885 -0.639 9.562 1.00 1.61 C ATOM 3080 CG LYS B 89 -7.371 -0.889 9.601 1.00 2.03 C ATOM 3081 CD LYS B 89 -6.586 0.421 9.735 1.00 3.16 C ATOM 3082 CE LYS B 89 -6.438 1.161 8.395 1.00 3.95 C ATOM 3083 NZ LYS B 89 -5.771 2.475 8.554 1.00 5.97 N ATOM 0 H LYS B 89 -9.136 1.754 9.972 1.00 1.25 H new ATOM 0 HA LYS B 89 -10.555 -0.498 10.904 1.00 1.24 H new ATOM 0 HB2 LYS B 89 -9.375 -1.578 9.303 1.00 1.61 H new ATOM 0 HB3 LYS B 89 -9.091 0.062 8.753 1.00 1.61 H new ATOM 0 HG2 LYS B 89 -7.131 -1.545 10.438 1.00 2.03 H new ATOM 0 HG3 LYS B 89 -7.064 -1.407 8.692 1.00 2.03 H new ATOM 0 HD2 LYS B 89 -7.090 1.071 10.451 1.00 3.16 H new ATOM 0 HD3 LYS B 89 -5.597 0.208 10.139 1.00 3.16 H new ATOM 0 HE2 LYS B 89 -5.864 0.545 7.703 1.00 3.95 H new ATOM 0 HE3 LYS B 89 -7.423 1.306 7.951 1.00 3.95 H new ATOM 0 HZ1 LYS B 89 -6.427 3.233 8.277 1.00 5.97 H new ATOM 0 HZ2 LYS B 89 -5.492 2.605 9.547 1.00 5.97 H new ATOM 0 HZ3 LYS B 89 -4.926 2.511 7.949 1.00 5.97 H new ATOM 3097 N LYS B 90 -8.152 0.261 12.845 1.00 1.79 N ATOM 3098 CA LYS B 90 -7.469 -0.080 14.089 1.00 2.25 C ATOM 3099 C LYS B 90 -8.461 -0.190 15.261 1.00 1.83 C ATOM 3100 O LYS B 90 -8.316 0.490 16.275 1.00 2.43 O ATOM 3101 CB LYS B 90 -6.302 0.895 14.342 1.00 3.78 C ATOM 3102 CG LYS B 90 -6.711 2.377 14.371 1.00 4.78 C ATOM 3103 CD LYS B 90 -5.657 3.297 15.011 1.00 6.38 C ATOM 3104 CE LYS B 90 -4.398 3.540 14.158 1.00 7.62 C ATOM 3105 NZ LYS B 90 -3.392 2.465 14.258 1.00 8.61 N ATOM 0 H LYS B 90 -8.012 1.231 12.561 1.00 1.79 H new ATOM 0 HA LYS B 90 -7.026 -1.072 13.998 1.00 2.25 H new ATOM 0 HB2 LYS B 90 -5.831 0.641 15.292 1.00 3.78 H new ATOM 0 HB3 LYS B 90 -5.550 0.753 13.566 1.00 3.78 H new ATOM 0 HG2 LYS B 90 -6.902 2.712 13.352 1.00 4.78 H new ATOM 0 HG3 LYS B 90 -7.648 2.476 14.920 1.00 4.78 H new ATOM 0 HD2 LYS B 90 -6.121 4.259 15.228 1.00 6.38 H new ATOM 0 HD3 LYS B 90 -5.353 2.867 15.965 1.00 6.38 H new ATOM 0 HE2 LYS B 90 -4.694 3.652 13.115 1.00 7.62 H new ATOM 0 HE3 LYS B 90 -3.941 4.482 14.462 1.00 7.62 H new ATOM 0 HZ1 LYS B 90 -2.462 2.832 13.970 1.00 8.61 H new ATOM 0 HZ2 LYS B 90 -3.342 2.127 15.240 1.00 8.61 H new ATOM 0 HZ3 LYS B 90 -3.662 1.678 13.634 1.00 8.61 H new ATOM 3119 N LYS B 91 -9.454 -1.069 15.119 1.00 1.86 N ATOM 3120 CA LYS B 91 -10.383 -1.480 16.159 1.00 2.82 C ATOM 3121 C LYS B 91 -10.820 -2.912 15.858 1.00 2.66 C ATOM 3122 O LYS B 91 -10.584 -3.824 16.646 1.00 3.30 O ATOM 3123 CB LYS B 91 -11.639 -0.592 16.138 1.00 4.00 C ATOM 3124 CG LYS B 91 -11.561 0.696 16.960 1.00 4.83 C ATOM 3125 CD LYS B 91 -12.976 1.298 16.968 1.00 5.90 C ATOM 3126 CE LYS B 91 -13.087 2.521 17.884 1.00 6.83 C ATOM 3127 NZ LYS B 91 -14.485 2.988 17.991 1.00 8.04 N ATOM 0 H LYS B 91 -9.637 -1.533 14.229 1.00 1.86 H new ATOM 0 HA LYS B 91 -9.896 -1.398 17.131 1.00 2.82 H new ATOM 0 HB2 LYS B 91 -11.856 -0.327 15.103 1.00 4.00 H new ATOM 0 HB3 LYS B 91 -12.482 -1.180 16.500 1.00 4.00 H new ATOM 0 HG2 LYS B 91 -11.223 0.488 17.975 1.00 4.83 H new ATOM 0 HG3 LYS B 91 -10.846 1.393 16.522 1.00 4.83 H new ATOM 0 HD2 LYS B 91 -13.252 1.582 15.953 1.00 5.90 H new ATOM 0 HD3 LYS B 91 -13.688 0.539 17.292 1.00 5.90 H new ATOM 0 HE2 LYS B 91 -12.708 2.271 18.875 1.00 6.83 H new ATOM 0 HE3 LYS B 91 -12.461 3.325 17.497 1.00 6.83 H new ATOM 0 HZ1 LYS B 91 -14.527 3.817 18.618 1.00 8.04 H new ATOM 0 HZ2 LYS B 91 -14.837 3.249 17.048 1.00 8.04 H new ATOM 0 HZ3 LYS B 91 -15.076 2.227 18.383 1.00 8.04 H new ATOM 3141 N ASP B 92 -11.477 -3.082 14.709 1.00 2.30 N ATOM 3142 CA ASP B 92 -12.421 -4.155 14.458 1.00 2.62 C ATOM 3143 C ASP B 92 -12.328 -4.575 12.989 1.00 1.93 C ATOM 3144 O ASP B 92 -13.328 -4.689 12.281 1.00 2.24 O ATOM 3145 CB ASP B 92 -13.824 -3.619 14.814 1.00 3.64 C ATOM 3146 CG ASP B 92 -14.161 -2.252 14.208 1.00 5.21 C ATOM 3147 OD1 ASP B 92 -13.305 -1.700 13.477 1.00 5.84 O ATOM 3148 OD2 ASP B 92 -15.244 -1.733 14.555 1.00 6.26 O ATOM 0 H ASP B 92 -11.359 -2.457 13.911 1.00 2.30 H new ATOM 0 HA ASP B 92 -12.206 -5.037 15.062 1.00 2.62 H new ATOM 0 HB2 ASP B 92 -14.569 -4.342 14.482 1.00 3.64 H new ATOM 0 HB3 ASP B 92 -13.907 -3.551 15.899 1.00 3.64 H new ATOM 3153 N LEU B 93 -11.110 -4.931 12.570 1.00 1.35 N ATOM 3154 CA LEU B 93 -10.826 -5.383 11.213 1.00 1.04 C ATOM 3155 C LEU B 93 -11.569 -6.706 10.984 1.00 0.93 C ATOM 3156 O LEU B 93 -12.475 -6.799 10.157 1.00 1.07 O ATOM 3157 CB LEU B 93 -9.292 -5.493 11.063 1.00 1.65 C ATOM 3158 CG LEU B 93 -8.692 -5.694 9.656 1.00 1.37 C ATOM 3159 CD1 LEU B 93 -8.916 -7.090 9.070 1.00 2.73 C ATOM 3160 CD2 LEU B 93 -9.135 -4.632 8.652 1.00 2.87 C ATOM 0 H LEU B 93 -10.288 -4.912 13.173 1.00 1.35 H new ATOM 0 HA LEU B 93 -11.176 -4.688 10.450 1.00 1.04 H new ATOM 0 HB2 LEU B 93 -8.854 -4.587 11.481 1.00 1.65 H new ATOM 0 HB3 LEU B 93 -8.959 -6.324 11.685 1.00 1.65 H new ATOM 0 HG LEU B 93 -7.621 -5.582 9.823 1.00 1.37 H new ATOM 0 HD11 LEU B 93 -8.463 -7.146 8.080 1.00 2.73 H new ATOM 0 HD12 LEU B 93 -8.459 -7.835 9.721 1.00 2.73 H new ATOM 0 HD13 LEU B 93 -9.986 -7.284 8.991 1.00 2.73 H new ATOM 0 HD21 LEU B 93 -8.677 -4.833 7.684 1.00 2.87 H new ATOM 0 HD22 LEU B 93 -10.220 -4.656 8.552 1.00 2.87 H new ATOM 0 HD23 LEU B 93 -8.825 -3.648 9.003 1.00 2.87 H new ATOM 3172 N LYS B 94 -11.233 -7.720 11.789 1.00 1.06 N ATOM 3173 CA LYS B 94 -11.695 -9.089 11.578 1.00 1.16 C ATOM 3174 C LYS B 94 -13.174 -9.280 11.898 1.00 1.12 C ATOM 3175 O LYS B 94 -13.780 -10.249 11.449 1.00 1.28 O ATOM 3176 CB LYS B 94 -10.791 -10.091 12.313 1.00 1.60 C ATOM 3177 CG LYS B 94 -9.347 -9.935 11.812 1.00 2.61 C ATOM 3178 CD LYS B 94 -8.667 -11.255 11.418 1.00 3.44 C ATOM 3179 CE LYS B 94 -7.357 -10.936 10.663 1.00 4.81 C ATOM 3180 NZ LYS B 94 -7.360 -11.410 9.264 1.00 5.90 N ATOM 0 H LYS B 94 -10.632 -7.610 12.606 1.00 1.06 H new ATOM 0 HA LYS B 94 -11.612 -9.294 10.511 1.00 1.16 H new ATOM 0 HB2 LYS B 94 -10.836 -9.918 13.388 1.00 1.60 H new ATOM 0 HB3 LYS B 94 -11.140 -11.109 12.139 1.00 1.60 H new ATOM 0 HG2 LYS B 94 -9.344 -9.267 10.950 1.00 2.61 H new ATOM 0 HG3 LYS B 94 -8.755 -9.453 12.590 1.00 2.61 H new ATOM 0 HD2 LYS B 94 -8.455 -11.850 12.306 1.00 3.44 H new ATOM 0 HD3 LYS B 94 -9.330 -11.848 10.788 1.00 3.44 H new ATOM 0 HE2 LYS B 94 -7.192 -9.859 10.674 1.00 4.81 H new ATOM 0 HE3 LYS B 94 -6.520 -11.392 11.192 1.00 4.81 H new ATOM 0 HZ1 LYS B 94 -6.763 -12.258 9.183 1.00 5.90 H new ATOM 0 HZ2 LYS B 94 -8.333 -11.643 8.978 1.00 5.90 H new ATOM 0 HZ3 LYS B 94 -6.986 -10.664 8.644 1.00 5.90 H new ATOM 3194 N ILE B 95 -13.762 -8.363 12.668 1.00 1.19 N ATOM 3195 CA ILE B 95 -15.202 -8.328 12.862 1.00 1.50 C ATOM 3196 C ILE B 95 -15.897 -8.183 11.502 1.00 1.65 C ATOM 3197 O ILE B 95 -16.938 -8.799 11.268 1.00 2.15 O ATOM 3198 CB ILE B 95 -15.575 -7.174 13.813 1.00 1.83 C ATOM 3199 CG1 ILE B 95 -14.800 -7.213 15.146 1.00 2.07 C ATOM 3200 CG2 ILE B 95 -17.085 -7.146 14.078 1.00 2.74 C ATOM 3201 CD1 ILE B 95 -14.958 -8.518 15.932 1.00 2.45 C ATOM 0 H ILE B 95 -13.254 -7.633 13.168 1.00 1.19 H new ATOM 0 HA ILE B 95 -15.538 -9.259 13.320 1.00 1.50 H new ATOM 0 HB ILE B 95 -15.283 -6.256 13.303 1.00 1.83 H new ATOM 0 HG12 ILE B 95 -13.741 -7.052 14.942 1.00 2.07 H new ATOM 0 HG13 ILE B 95 -15.134 -6.384 15.771 1.00 2.07 H new ATOM 0 HG21 ILE B 95 -17.321 -6.322 14.752 1.00 2.74 H new ATOM 0 HG22 ILE B 95 -17.617 -7.009 13.137 1.00 2.74 H new ATOM 0 HG23 ILE B 95 -17.392 -8.087 14.534 1.00 2.74 H new ATOM 0 HD11 ILE B 95 -14.380 -8.459 16.855 1.00 2.45 H new ATOM 0 HD12 ILE B 95 -16.010 -8.673 16.172 1.00 2.45 H new ATOM 0 HD13 ILE B 95 -14.596 -9.351 15.330 1.00 2.45 H new ATOM 3213 N ARG B 96 -15.342 -7.352 10.608 1.00 1.42 N ATOM 3214 CA ARG B 96 -15.845 -7.076 9.262 1.00 1.72 C ATOM 3215 C ARG B 96 -17.192 -6.331 9.212 1.00 2.12 C ATOM 3216 O ARG B 96 -17.358 -5.453 8.370 1.00 3.18 O ATOM 3217 CB ARG B 96 -15.826 -8.356 8.424 1.00 2.22 C ATOM 3218 CG ARG B 96 -15.700 -8.128 6.908 1.00 3.04 C ATOM 3219 CD ARG B 96 -17.026 -7.699 6.261 1.00 3.99 C ATOM 3220 NE ARG B 96 -17.170 -8.258 4.906 1.00 5.16 N ATOM 3221 CZ ARG B 96 -18.283 -8.214 4.160 1.00 5.93 C ATOM 3222 NH1 ARG B 96 -19.375 -7.595 4.621 1.00 5.80 N ATOM 3223 NH2 ARG B 96 -18.282 -8.800 2.962 1.00 7.31 N ATOM 0 H ARG B 96 -14.490 -6.831 10.817 1.00 1.42 H new ATOM 0 HA ARG B 96 -15.158 -6.359 8.812 1.00 1.72 H new ATOM 0 HB2 ARG B 96 -14.995 -8.979 8.755 1.00 2.22 H new ATOM 0 HB3 ARG B 96 -16.741 -8.916 8.619 1.00 2.22 H new ATOM 0 HG2 ARG B 96 -14.945 -7.364 6.721 1.00 3.04 H new ATOM 0 HG3 ARG B 96 -15.349 -9.045 6.435 1.00 3.04 H new ATOM 0 HD2 ARG B 96 -17.859 -8.029 6.882 1.00 3.99 H new ATOM 0 HD3 ARG B 96 -17.074 -6.611 6.214 1.00 3.99 H new ATOM 0 HE ARG B 96 -16.354 -8.717 4.501 1.00 5.16 H new ATOM 0 HH11 ARG B 96 -19.362 -7.155 5.541 1.00 5.80 H new ATOM 0 HH12 ARG B 96 -20.221 -7.562 4.052 1.00 5.80 H new ATOM 0 HH21 ARG B 96 -17.443 -9.272 2.626 1.00 7.31 H new ATOM 0 HH22 ARG B 96 -19.121 -8.776 2.382 1.00 7.31 H new ATOM 3237 N LYS B 97 -18.154 -6.704 10.064 1.00 2.11 N ATOM 3238 CA LYS B 97 -19.547 -6.262 10.137 1.00 2.61 C ATOM 3239 C LYS B 97 -20.410 -7.221 10.972 1.00 3.10 C ATOM 3240 O LYS B 97 -21.534 -6.851 11.306 1.00 3.45 O ATOM 3241 CB LYS B 97 -20.177 -6.012 8.753 1.00 3.57 C ATOM 3242 CG LYS B 97 -20.252 -4.502 8.493 1.00 3.91 C ATOM 3243 CD LYS B 97 -20.444 -4.198 7.007 1.00 5.19 C ATOM 3244 CE LYS B 97 -20.597 -2.683 6.814 1.00 5.86 C ATOM 3245 NZ LYS B 97 -20.137 -2.250 5.481 1.00 7.30 N ATOM 0 H LYS B 97 -17.954 -7.391 10.791 1.00 2.11 H new ATOM 0 HA LYS B 97 -19.524 -5.299 10.647 1.00 2.61 H new ATOM 0 HB2 LYS B 97 -19.583 -6.497 7.978 1.00 3.57 H new ATOM 0 HB3 LYS B 97 -21.174 -6.450 8.711 1.00 3.57 H new ATOM 0 HG2 LYS B 97 -21.077 -4.074 9.062 1.00 3.91 H new ATOM 0 HG3 LYS B 97 -19.339 -4.025 8.848 1.00 3.91 H new ATOM 0 HD2 LYS B 97 -19.591 -4.564 6.436 1.00 5.19 H new ATOM 0 HD3 LYS B 97 -21.326 -4.715 6.629 1.00 5.19 H new ATOM 0 HE2 LYS B 97 -21.642 -2.404 6.946 1.00 5.86 H new ATOM 0 HE3 LYS B 97 -20.028 -2.160 7.582 1.00 5.86 H new ATOM 0 HZ1 LYS B 97 -20.064 -1.213 5.459 1.00 7.30 H new ATOM 0 HZ2 LYS B 97 -19.205 -2.667 5.283 1.00 7.30 H new ATOM 0 HZ3 LYS B 97 -20.817 -2.564 4.760 1.00 7.30 H new ATOM 3259 N LYS B 98 -19.948 -8.455 11.226 1.00 3.84 N ATOM 3260 CA LYS B 98 -20.662 -9.370 12.108 1.00 4.85 C ATOM 3261 C LYS B 98 -20.343 -9.071 13.578 1.00 5.40 C ATOM 3262 O LYS B 98 -20.373 -10.039 14.372 1.00 6.57 O ATOM 3263 CB LYS B 98 -20.333 -10.824 11.740 1.00 6.42 C ATOM 3264 CG LYS B 98 -18.833 -11.145 11.872 1.00 7.84 C ATOM 3265 CD LYS B 98 -18.533 -12.512 12.502 1.00 9.59 C ATOM 3266 CE LYS B 98 -19.005 -13.715 11.674 1.00 11.08 C ATOM 3267 NZ LYS B 98 -20.473 -13.868 11.687 1.00 11.17 N ATOM 3268 OXT LYS B 98 -20.037 -7.898 13.878 1.00 5.52 O ATOM 0 H LYS B 98 -19.087 -8.834 10.832 1.00 3.84 H new ATOM 0 HA LYS B 98 -21.734 -9.224 11.974 1.00 4.85 H new ATOM 0 HB2 LYS B 98 -20.902 -11.495 12.383 1.00 6.42 H new ATOM 0 HB3 LYS B 98 -20.653 -11.017 10.716 1.00 6.42 H new ATOM 0 HG2 LYS B 98 -18.377 -11.106 10.883 1.00 7.84 H new ATOM 0 HG3 LYS B 98 -18.359 -10.369 12.473 1.00 7.84 H new ATOM 0 HD2 LYS B 98 -17.458 -12.596 12.660 1.00 9.59 H new ATOM 0 HD3 LYS B 98 -19.004 -12.556 13.484 1.00 9.59 H new ATOM 0 HE2 LYS B 98 -18.664 -13.600 10.645 1.00 11.08 H new ATOM 0 HE3 LYS B 98 -18.545 -14.623 12.063 1.00 11.08 H new ATOM 0 HZ1 LYS B 98 -20.720 -14.861 11.503 1.00 11.17 H new ATOM 0 HZ2 LYS B 98 -20.843 -13.585 12.617 1.00 11.17 H new ATOM 0 HZ3 LYS B 98 -20.891 -13.265 10.950 1.00 11.17 H new TER 3282 LYS B 98