USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 838 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: A 73 HIS : no HE2:sc= -0.288 K(o=1.5,f=-0.93!) USER MOD Set 1.2: A 77 CYS SG : rot -139:sc= 0.198 USER MOD Set 1.3: A 82 CYS SG : rot 155:sc= 0.622 USER MOD Set 1.4: A 85 CYS SG : rot 111:sc= 0.987 USER MOD Set 2.1: A 75 LYS NZ :NH3+ 156:sc= 1.01 (180deg=-0.0694) USER MOD Set 2.2: B 147 GLN : amide:sc= 2.27 K(o=3.3,f=-4.2) USER MOD Set 3.1: A 57 LYS NZ :NH3+ 160:sc= 2.01 (180deg=0.316) USER MOD Set 3.2: A 69 GLN : amide:sc= -0.132 K(o=1.9,f=-6.7!) USER MOD Set 4.1: A 49 HIS : no HE2:sc= -0.536 K(o=0.8,f=-0.28) USER MOD Set 4.2: A 53 CYS SG : rot 146:sc= -0.136 USER MOD Set 4.3: A 59 CYS SG : rot -120:sc= 0.649 USER MOD Set 4.4: A 64 CYS SG : rot -151:sc= 0.82 USER MOD Set 5.1: A 51 THR OG1 : rot 72:sc= 0.018 USER MOD Set 5.2: A 52 HIS : no HE2:sc= 1.15 K(o=1.2,f=-3.6!) USER MOD Set 6.1: A 39 HIS : no HD1:sc= 0.704 K(o=1.7,f=-4.7!) USER MOD Set 6.2: A 42 THR OG1 : rot 148:sc= 1.02 USER MOD Set 7.1: A 18 HIS :FLIP no HD1:sc= 0.0624 F(o=-0.62,f=3.5) USER MOD Set 7.2: A 22 CYS SG : rot 114:sc= 0.39 USER MOD Set 7.3: A 40 CYS SG : rot 106:sc= 1.2 USER MOD Set 7.4: A 44 LYS NZ :NH3+ 172:sc= 1.81 (180deg=0) USER MOD Set 8.1: A 11 GLN : amide:sc= 0.577 K(o=2.2,f=-3) USER MOD Set 8.2: A 12 GLN : amide:sc= 1.15 K(o=2.2,f=-2.6) USER MOD Set 8.3: A 43 MET CE :methyl 178:sc= -0.36 (180deg=-0.0526) USER MOD Set 8.4: A 63 HIS : no HE2:sc= 0.847 K(o=2.2,f=-4.7!) USER MOD Single : A 1 ALA N :NH3+ -118:sc= 0.0854 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 162:sc= 1.25 (180deg=1.19) USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.14) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 21 LYS NZ :NH3+ -175:sc= 1.03 (180deg=1.01) USER MOD Single : A 45 ASN : amide:sc= 0.983 K(o=0.98,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl 154:sc= -2.11! (180deg=-4.04!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 82:sc= 0.995 USER MOD Single : A 67 SER OG : rot -82:sc= 0.559 USER MOD Single : A 72 SER OG : rot 90:sc= 1.23 USER MOD Single : A 76 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc=-0.00235 X(o=-0.0024,f=-0.0024) USER MOD Single : A 89 LYS NZ :NH3+ 156:sc= 0.632 (180deg=0.384) USER MOD Single : B 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 119 THR OG1 : rot 180:sc= 0.0815 USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 121 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 CYS SG : rot 82:sc=0.000955 USER MOD Single : B 126 ASN : amide:sc= 1.78 K(o=1.8,f=-4.3!) USER MOD Single : B 130 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : B 137 GLN : amide:sc= 0.647 K(o=0.65,f=-5.4!) USER MOD Single : B 149 ASN : amide:sc= 0.912 K(o=0.91,f=-0.016) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.914 -11.920 16.125 1.00 0.00 N ATOM 2 CA ALA A 1 5.267 -10.631 15.775 1.00 0.00 C ATOM 3 C ALA A 1 5.408 -9.620 16.924 1.00 0.00 C ATOM 4 O ALA A 1 5.721 -9.998 18.055 1.00 0.00 O ATOM 5 CB ALA A 1 3.801 -10.845 15.360 1.00 0.00 C ATOM 0 H1 ALA A 1 6.689 -12.112 15.458 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.294 -11.866 17.092 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.213 -12.686 16.071 1.00 0.00 H new ATOM 0 HA ALA A 1 5.781 -10.208 14.912 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.350 -9.885 15.109 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.761 -11.503 14.492 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.252 -11.299 16.185 1.00 0.00 H new ATOM 13 N ASP A 2 5.207 -8.329 16.645 1.00 0.00 N ATOM 14 CA ASP A 2 5.357 -7.214 17.593 1.00 0.00 C ATOM 15 C ASP A 2 4.273 -6.126 17.374 1.00 0.00 C ATOM 16 O ASP A 2 3.995 -5.780 16.220 1.00 0.00 O ATOM 17 CB ASP A 2 6.773 -6.650 17.407 1.00 0.00 C ATOM 18 CG ASP A 2 7.040 -5.424 18.285 1.00 0.00 C ATOM 19 OD1 ASP A 2 6.764 -4.298 17.815 1.00 0.00 O ATOM 20 OD2 ASP A 2 7.521 -5.593 19.431 1.00 0.00 O ATOM 0 H ASP A 2 4.924 -8.016 15.716 1.00 0.00 H new ATOM 0 HA ASP A 2 5.220 -7.565 18.616 1.00 0.00 H new ATOM 0 HB2 ASP A 2 7.502 -7.425 17.641 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.918 -6.381 16.361 1.00 0.00 H new ATOM 25 N PRO A 3 3.648 -5.574 18.441 1.00 0.00 N ATOM 26 CA PRO A 3 2.610 -4.543 18.329 1.00 0.00 C ATOM 27 C PRO A 3 3.035 -3.335 17.488 1.00 0.00 C ATOM 28 O PRO A 3 2.353 -2.970 16.534 1.00 0.00 O ATOM 29 CB PRO A 3 2.248 -4.119 19.758 1.00 0.00 C ATOM 30 CG PRO A 3 2.726 -5.271 20.630 1.00 0.00 C ATOM 31 CD PRO A 3 3.879 -5.892 19.844 1.00 0.00 C ATOM 0 HA PRO A 3 1.751 -4.959 17.802 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.738 -3.185 20.031 1.00 0.00 H new ATOM 0 HB3 PRO A 3 1.175 -3.959 19.865 1.00 0.00 H new ATOM 0 HG2 PRO A 3 3.056 -4.919 21.607 1.00 0.00 H new ATOM 0 HG3 PRO A 3 1.929 -5.994 20.804 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.836 -5.492 20.179 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.914 -6.971 19.996 1.00 0.00 H new ATOM 39 N GLU A 4 4.162 -2.702 17.819 1.00 0.00 N ATOM 40 CA GLU A 4 4.680 -1.539 17.096 1.00 0.00 C ATOM 41 C GLU A 4 5.023 -1.870 15.637 1.00 0.00 C ATOM 42 O GLU A 4 4.687 -1.078 14.758 1.00 0.00 O ATOM 43 CB GLU A 4 5.850 -0.887 17.838 1.00 0.00 C ATOM 44 CG GLU A 4 5.433 -0.049 19.058 1.00 0.00 C ATOM 45 CD GLU A 4 4.666 -0.822 20.148 1.00 0.00 C ATOM 46 OE1 GLU A 4 5.252 -1.719 20.800 1.00 0.00 O ATOM 47 OE2 GLU A 4 3.476 -0.497 20.378 1.00 0.00 O ATOM 0 H GLU A 4 4.747 -2.985 18.605 1.00 0.00 H new ATOM 0 HA GLU A 4 3.879 -0.801 17.061 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.538 -1.666 18.165 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.397 -0.250 17.143 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.327 0.386 19.504 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.812 0.779 18.716 1.00 0.00 H new ATOM 54 N LYS A 5 5.617 -3.036 15.334 1.00 0.00 N ATOM 55 CA LYS A 5 5.834 -3.449 13.929 1.00 0.00 C ATOM 56 C LYS A 5 4.511 -3.486 13.159 1.00 0.00 C ATOM 57 O LYS A 5 4.478 -3.043 12.013 1.00 0.00 O ATOM 58 CB LYS A 5 6.596 -4.773 13.789 1.00 0.00 C ATOM 59 CG LYS A 5 8.069 -4.634 14.199 1.00 0.00 C ATOM 60 CD LYS A 5 8.844 -5.930 13.925 1.00 0.00 C ATOM 61 CE LYS A 5 10.332 -5.733 14.243 1.00 0.00 C ATOM 62 NZ LYS A 5 11.111 -6.972 13.995 1.00 0.00 N ATOM 0 H LYS A 5 5.953 -3.704 16.028 1.00 0.00 H new ATOM 0 HA LYS A 5 6.476 -2.688 13.485 1.00 0.00 H new ATOM 0 HB2 LYS A 5 6.118 -5.534 14.406 1.00 0.00 H new ATOM 0 HB3 LYS A 5 6.538 -5.118 12.757 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.526 -3.810 13.650 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.133 -4.386 15.258 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.439 -6.740 14.531 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.723 -6.222 12.882 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.731 -4.923 13.633 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.446 -5.433 15.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.122 -6.738 13.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.967 -7.636 14.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.791 -7.411 13.108 1.00 0.00 H new ATOM 76 N ARG A 6 3.404 -3.928 13.775 1.00 0.00 N ATOM 77 CA ARG A 6 2.068 -3.881 13.151 1.00 0.00 C ATOM 78 C ARG A 6 1.652 -2.429 12.881 1.00 0.00 C ATOM 79 O ARG A 6 1.243 -2.139 11.761 1.00 0.00 O ATOM 80 CB ARG A 6 1.024 -4.680 13.950 1.00 0.00 C ATOM 81 CG ARG A 6 1.236 -6.189 13.747 1.00 0.00 C ATOM 82 CD ARG A 6 0.237 -7.019 14.559 1.00 0.00 C ATOM 83 NE ARG A 6 0.292 -8.439 14.163 1.00 0.00 N ATOM 84 CZ ARG A 6 -0.034 -9.506 14.868 1.00 0.00 C ATOM 85 NH1 ARG A 6 -0.454 -9.438 16.099 1.00 0.00 N ATOM 86 NH2 ARG A 6 0.063 -10.681 14.319 1.00 0.00 N ATOM 0 H ARG A 6 3.406 -4.326 14.714 1.00 0.00 H new ATOM 0 HA ARG A 6 2.124 -4.380 12.183 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.101 -4.434 15.009 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.020 -4.401 13.630 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.134 -6.431 12.689 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.252 -6.456 14.039 1.00 0.00 H new ATOM 0 HD2 ARG A 6 0.458 -6.924 15.622 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.771 -6.633 14.408 1.00 0.00 H new ATOM 0 HE ARG A 6 0.627 -8.621 13.217 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -0.543 -8.532 16.558 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -0.694 -10.291 16.604 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.387 -10.769 13.356 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.185 -11.515 14.851 1.00 0.00 H new ATOM 100 N LYS A 7 1.819 -1.504 13.836 1.00 0.00 N ATOM 101 CA LYS A 7 1.558 -0.051 13.659 1.00 0.00 C ATOM 102 C LYS A 7 2.337 0.519 12.462 1.00 0.00 C ATOM 103 O LYS A 7 1.773 1.219 11.620 1.00 0.00 O ATOM 104 CB LYS A 7 1.875 0.743 14.944 1.00 0.00 C ATOM 105 CG LYS A 7 1.082 0.247 16.160 1.00 0.00 C ATOM 106 CD LYS A 7 1.487 0.960 17.451 1.00 0.00 C ATOM 107 CE LYS A 7 0.602 0.471 18.604 1.00 0.00 C ATOM 108 NZ LYS A 7 1.120 0.917 19.922 1.00 0.00 N ATOM 0 H LYS A 7 2.145 -1.739 14.774 1.00 0.00 H new ATOM 0 HA LYS A 7 0.494 0.059 13.451 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.941 0.670 15.157 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.655 1.797 14.778 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.017 0.399 15.983 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.235 -0.826 16.277 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.536 0.763 17.674 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.384 2.038 17.331 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.413 0.844 18.467 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.547 -0.617 18.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.525 0.525 20.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.098 0.583 20.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.101 1.956 19.969 1.00 0.00 H new ATOM 122 N LEU A 8 3.629 0.196 12.369 1.00 0.00 N ATOM 123 CA LEU A 8 4.527 0.574 11.271 1.00 0.00 C ATOM 124 C LEU A 8 4.021 0.021 9.922 1.00 0.00 C ATOM 125 O LEU A 8 3.924 0.762 8.944 1.00 0.00 O ATOM 126 CB LEU A 8 5.953 0.096 11.605 1.00 0.00 C ATOM 127 CG LEU A 8 6.619 0.839 12.781 1.00 0.00 C ATOM 128 CD1 LEU A 8 7.951 0.170 13.125 1.00 0.00 C ATOM 129 CD2 LEU A 8 6.845 2.320 12.469 1.00 0.00 C ATOM 0 H LEU A 8 4.099 -0.358 13.085 1.00 0.00 H new ATOM 0 HA LEU A 8 4.543 1.659 11.165 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.921 -0.969 11.836 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.578 0.211 10.719 1.00 0.00 H new ATOM 0 HG LEU A 8 5.944 0.783 13.635 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.419 0.697 13.956 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.775 -0.868 13.407 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.610 0.203 12.257 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.316 2.804 13.324 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.493 2.413 11.597 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.888 2.799 12.263 1.00 0.00 H new ATOM 141 N ILE A 9 3.665 -1.269 9.874 1.00 0.00 N ATOM 142 CA ILE A 9 3.083 -1.946 8.701 1.00 0.00 C ATOM 143 C ILE A 9 1.778 -1.250 8.281 1.00 0.00 C ATOM 144 O ILE A 9 1.635 -0.911 7.110 1.00 0.00 O ATOM 145 CB ILE A 9 2.918 -3.460 8.970 1.00 0.00 C ATOM 146 CG1 ILE A 9 4.312 -4.131 8.980 1.00 0.00 C ATOM 147 CG2 ILE A 9 2.031 -4.149 7.916 1.00 0.00 C ATOM 148 CD1 ILE A 9 4.335 -5.509 9.647 1.00 0.00 C ATOM 0 H ILE A 9 3.776 -1.892 10.674 1.00 0.00 H new ATOM 0 HA ILE A 9 3.765 -1.865 7.854 1.00 0.00 H new ATOM 0 HB ILE A 9 2.428 -3.571 9.937 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.664 -4.230 7.953 1.00 0.00 H new ATOM 0 HG13 ILE A 9 5.015 -3.477 9.496 1.00 0.00 H new ATOM 0 HG21 ILE A 9 1.946 -5.210 8.149 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.040 -3.696 7.922 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.478 -4.029 6.929 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.347 -5.913 9.613 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.016 -5.416 10.685 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.659 -6.181 9.118 1.00 0.00 H new ATOM 160 N GLN A 10 0.846 -0.996 9.211 1.00 0.00 N ATOM 161 CA GLN A 10 -0.416 -0.271 8.986 1.00 0.00 C ATOM 162 C GLN A 10 -0.161 1.069 8.283 1.00 0.00 C ATOM 163 O GLN A 10 -0.770 1.357 7.250 1.00 0.00 O ATOM 164 CB GLN A 10 -1.158 -0.044 10.317 1.00 0.00 C ATOM 165 CG GLN A 10 -1.800 -1.318 10.871 1.00 0.00 C ATOM 166 CD GLN A 10 -2.338 -1.130 12.288 1.00 0.00 C ATOM 167 OE1 GLN A 10 -1.747 -1.554 13.273 1.00 0.00 O ATOM 168 NE2 GLN A 10 -3.479 -0.494 12.451 1.00 0.00 N ATOM 0 H GLN A 10 0.953 -1.301 10.178 1.00 0.00 H new ATOM 0 HA GLN A 10 -1.044 -0.883 8.339 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -0.459 0.353 11.053 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.930 0.711 10.171 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.613 -1.627 10.214 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -1.065 -2.123 10.868 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.983 -0.135 11.640 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.859 -0.360 13.388 1.00 0.00 H new ATOM 177 N GLN A 11 0.765 1.873 8.822 1.00 0.00 N ATOM 178 CA GLN A 11 1.191 3.142 8.232 1.00 0.00 C ATOM 179 C GLN A 11 1.669 2.936 6.785 1.00 0.00 C ATOM 180 O GLN A 11 1.154 3.591 5.880 1.00 0.00 O ATOM 181 CB GLN A 11 2.217 3.832 9.152 1.00 0.00 C ATOM 182 CG GLN A 11 2.910 5.059 8.531 1.00 0.00 C ATOM 183 CD GLN A 11 4.190 4.682 7.786 1.00 0.00 C ATOM 184 OE1 GLN A 11 4.246 4.602 6.570 1.00 0.00 O ATOM 185 NE2 GLN A 11 5.270 4.410 8.477 1.00 0.00 N ATOM 0 H GLN A 11 1.245 1.653 9.695 1.00 0.00 H new ATOM 0 HA GLN A 11 0.345 3.825 8.159 1.00 0.00 H new ATOM 0 HB2 GLN A 11 1.714 4.140 10.069 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.979 3.105 9.435 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.223 5.553 7.844 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.146 5.777 9.316 1.00 0.00 H new ATOM 0 HE21 GLN A 11 5.252 4.469 9.495 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.128 4.140 7.997 1.00 0.00 H new ATOM 194 N GLN A 12 2.617 2.023 6.547 1.00 0.00 N ATOM 195 CA GLN A 12 3.132 1.725 5.203 1.00 0.00 C ATOM 196 C GLN A 12 2.041 1.262 4.226 1.00 0.00 C ATOM 197 O GLN A 12 2.041 1.700 3.077 1.00 0.00 O ATOM 198 CB GLN A 12 4.299 0.728 5.281 1.00 0.00 C ATOM 199 CG GLN A 12 5.607 1.394 5.742 1.00 0.00 C ATOM 200 CD GLN A 12 6.242 2.251 4.650 1.00 0.00 C ATOM 201 OE1 GLN A 12 7.087 1.804 3.884 1.00 0.00 O ATOM 202 NE2 GLN A 12 5.893 3.512 4.550 1.00 0.00 N ATOM 0 H GLN A 12 3.051 1.467 7.283 1.00 0.00 H new ATOM 0 HA GLN A 12 3.509 2.661 4.791 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.041 -0.076 5.970 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.451 0.273 4.302 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.407 2.014 6.616 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.313 0.624 6.052 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.191 3.898 5.181 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.324 4.106 3.841 1.00 0.00 H new ATOM 211 N LEU A 13 1.098 0.421 4.667 1.00 0.00 N ATOM 212 CA LEU A 13 -0.051 -0.065 3.902 1.00 0.00 C ATOM 213 C LEU A 13 -0.846 1.144 3.378 1.00 0.00 C ATOM 214 O LEU A 13 -1.018 1.307 2.170 1.00 0.00 O ATOM 215 CB LEU A 13 -0.850 -1.051 4.791 1.00 0.00 C ATOM 216 CG LEU A 13 -1.607 -2.141 4.014 1.00 0.00 C ATOM 217 CD1 LEU A 13 -1.986 -3.321 4.905 1.00 0.00 C ATOM 218 CD2 LEU A 13 -2.858 -1.601 3.346 1.00 0.00 C ATOM 0 H LEU A 13 1.119 0.044 5.614 1.00 0.00 H new ATOM 0 HA LEU A 13 0.239 -0.629 3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.163 -1.530 5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.565 -0.485 5.387 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.918 -2.487 3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.519 -4.066 4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.083 -3.766 5.322 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.627 -2.974 5.715 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.360 -2.406 2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.529 -1.196 4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.585 -0.812 2.645 1.00 0.00 H new ATOM 230 N VAL A 14 -1.264 2.031 4.285 1.00 0.00 N ATOM 231 CA VAL A 14 -1.964 3.289 3.983 1.00 0.00 C ATOM 232 C VAL A 14 -1.151 4.209 3.065 1.00 0.00 C ATOM 233 O VAL A 14 -1.683 4.626 2.037 1.00 0.00 O ATOM 234 CB VAL A 14 -2.359 3.998 5.285 1.00 0.00 C ATOM 235 CG1 VAL A 14 -2.787 5.459 5.089 1.00 0.00 C ATOM 236 CG2 VAL A 14 -3.508 3.234 5.951 1.00 0.00 C ATOM 0 H VAL A 14 -1.121 1.891 5.285 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.870 3.038 3.432 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.467 4.008 5.911 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.051 5.893 6.053 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.964 6.023 4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.650 5.499 4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.790 3.736 6.876 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.365 3.206 5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.187 2.216 6.173 1.00 0.00 H new ATOM 246 N LEU A 15 0.106 4.544 3.395 1.00 0.00 N ATOM 247 CA LEU A 15 0.936 5.421 2.553 1.00 0.00 C ATOM 248 C LEU A 15 1.086 4.871 1.126 1.00 0.00 C ATOM 249 O LEU A 15 1.006 5.638 0.169 1.00 0.00 O ATOM 250 CB LEU A 15 2.330 5.700 3.147 1.00 0.00 C ATOM 251 CG LEU A 15 2.420 6.516 4.447 1.00 0.00 C ATOM 252 CD1 LEU A 15 3.852 7.028 4.621 1.00 0.00 C ATOM 253 CD2 LEU A 15 1.516 7.745 4.459 1.00 0.00 C ATOM 0 H LEU A 15 0.572 4.219 4.242 1.00 0.00 H new ATOM 0 HA LEU A 15 0.398 6.368 2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.814 4.740 3.324 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.917 6.218 2.388 1.00 0.00 H new ATOM 0 HG LEU A 15 2.106 5.844 5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.922 7.608 5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.537 6.182 4.672 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.118 7.660 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.631 8.272 5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.792 8.408 3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.478 7.434 4.341 1.00 0.00 H new ATOM 265 N LEU A 16 1.298 3.562 0.968 1.00 0.00 N ATOM 266 CA LEU A 16 1.424 2.914 -0.337 1.00 0.00 C ATOM 267 C LEU A 16 0.137 3.050 -1.169 1.00 0.00 C ATOM 268 O LEU A 16 0.191 3.433 -2.339 1.00 0.00 O ATOM 269 CB LEU A 16 1.836 1.450 -0.136 1.00 0.00 C ATOM 270 CG LEU A 16 2.107 0.717 -1.459 1.00 0.00 C ATOM 271 CD1 LEU A 16 3.241 1.378 -2.235 1.00 0.00 C ATOM 272 CD2 LEU A 16 2.524 -0.717 -1.157 1.00 0.00 C ATOM 0 H LEU A 16 1.388 2.916 1.752 1.00 0.00 H new ATOM 0 HA LEU A 16 2.202 3.417 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.731 1.412 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.049 0.928 0.408 1.00 0.00 H new ATOM 0 HG LEU A 16 1.195 0.750 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.409 0.837 -3.166 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.975 2.411 -2.459 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.151 1.360 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.718 -1.244 -2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.428 -0.712 -0.548 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.724 -1.222 -0.615 1.00 0.00 H new ATOM 284 N LEU A 17 -1.021 2.766 -0.565 1.00 0.00 N ATOM 285 CA LEU A 17 -2.336 2.935 -1.194 1.00 0.00 C ATOM 286 C LEU A 17 -2.537 4.400 -1.612 1.00 0.00 C ATOM 287 O LEU A 17 -2.869 4.686 -2.766 1.00 0.00 O ATOM 288 CB LEU A 17 -3.440 2.489 -0.223 1.00 0.00 C ATOM 289 CG LEU A 17 -3.456 0.978 0.048 1.00 0.00 C ATOM 290 CD1 LEU A 17 -4.286 0.720 1.299 1.00 0.00 C ATOM 291 CD2 LEU A 17 -4.067 0.186 -1.104 1.00 0.00 C ATOM 0 H LEU A 17 -1.073 2.407 0.388 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.389 2.314 -2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.314 3.017 0.722 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.408 2.786 -0.627 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.423 0.651 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.308 -0.350 1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.842 1.245 2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.303 1.080 1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.054 -0.877 -0.862 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.096 0.510 -1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.488 0.358 -2.011 1.00 0.00 H new ATOM 303 N HIS A 18 -2.299 5.323 -0.673 1.00 0.00 N ATOM 304 CA HIS A 18 -2.364 6.766 -0.879 1.00 0.00 C ATOM 305 C HIS A 18 -1.483 7.185 -2.066 1.00 0.00 C ATOM 306 O HIS A 18 -1.991 7.856 -2.953 1.00 0.00 O ATOM 307 CB HIS A 18 -2.020 7.522 0.415 1.00 0.00 C ATOM 308 CG HIS A 18 -2.087 9.026 0.265 1.00 0.00 C ATOM 309 ND1 HIS A 18 -1.203 9.793 -0.444 1.00 0.00 N flip ATOM 310 CD2 HIS A 18 -3.046 9.876 0.777 1.00 0.00 C flip ATOM 311 CE1 HIS A 18 -1.625 11.126 -0.387 1.00 0.00 C flip ATOM 312 NE2 HIS A 18 -2.739 11.125 0.370 1.00 0.00 N flip ATOM 0 H HIS A 18 -2.047 5.072 0.283 1.00 0.00 H new ATOM 0 HA HIS A 18 -3.388 7.039 -1.135 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -2.707 7.211 1.203 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -1.017 7.240 0.737 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.888 9.593 1.391 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -1.155 11.979 -0.853 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -3.279 11.958 0.604 1.00 0.00 H new ATOM 320 N ALA A 19 -0.205 6.792 -2.128 1.00 0.00 N ATOM 321 CA ALA A 19 0.737 7.134 -3.205 1.00 0.00 C ATOM 322 C ALA A 19 0.140 7.006 -4.622 1.00 0.00 C ATOM 323 O ALA A 19 0.311 7.893 -5.463 1.00 0.00 O ATOM 324 CB ALA A 19 2.014 6.310 -3.044 1.00 0.00 C ATOM 0 H ALA A 19 0.218 6.208 -1.407 1.00 0.00 H new ATOM 0 HA ALA A 19 0.975 8.193 -3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.713 6.562 -3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.470 6.530 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.771 5.249 -3.097 1.00 0.00 H new ATOM 330 N HIS A 20 -0.571 5.907 -4.902 1.00 0.00 N ATOM 331 CA HIS A 20 -1.266 5.671 -6.177 1.00 0.00 C ATOM 332 C HIS A 20 -2.513 6.560 -6.322 1.00 0.00 C ATOM 333 O HIS A 20 -2.676 7.229 -7.344 1.00 0.00 O ATOM 334 CB HIS A 20 -1.577 4.178 -6.307 1.00 0.00 C ATOM 335 CG HIS A 20 -2.365 3.841 -7.550 1.00 0.00 C ATOM 336 ND1 HIS A 20 -3.744 3.760 -7.643 1.00 0.00 N ATOM 337 CD2 HIS A 20 -1.838 3.655 -8.797 1.00 0.00 C ATOM 338 CE1 HIS A 20 -4.048 3.549 -8.940 1.00 0.00 C ATOM 339 NE2 HIS A 20 -2.908 3.467 -9.657 1.00 0.00 N ATOM 0 H HIS A 20 -0.683 5.141 -4.237 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.615 5.956 -7.004 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.642 3.618 -6.314 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.137 3.852 -5.430 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.791 3.655 -9.061 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -5.047 3.460 -9.341 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.845 3.296 -10.661 1.00 0.00 H new ATOM 348 N LYS A 21 -3.381 6.606 -5.302 1.00 0.00 N ATOM 349 CA LYS A 21 -4.578 7.473 -5.246 1.00 0.00 C ATOM 350 C LYS A 21 -4.211 8.942 -5.521 1.00 0.00 C ATOM 351 O LYS A 21 -4.874 9.608 -6.310 1.00 0.00 O ATOM 352 CB LYS A 21 -5.275 7.274 -3.887 1.00 0.00 C ATOM 353 CG LYS A 21 -6.532 8.140 -3.712 1.00 0.00 C ATOM 354 CD LYS A 21 -7.197 7.913 -2.343 1.00 0.00 C ATOM 355 CE LYS A 21 -8.130 6.694 -2.340 1.00 0.00 C ATOM 356 NZ LYS A 21 -9.398 7.002 -3.045 1.00 0.00 N ATOM 0 H LYS A 21 -3.272 6.028 -4.469 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.280 7.191 -6.031 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.548 6.224 -3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.570 7.505 -3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.266 9.192 -3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.244 7.911 -4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.425 7.778 -1.585 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.764 8.802 -2.066 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.636 5.851 -2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.342 6.395 -1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.048 6.195 -2.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.835 7.845 -2.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.201 7.182 -4.050 1.00 0.00 H new ATOM 370 N CYS A 22 -3.141 9.427 -4.901 1.00 0.00 N ATOM 371 CA CYS A 22 -2.545 10.751 -5.023 1.00 0.00 C ATOM 372 C CYS A 22 -2.158 11.062 -6.484 1.00 0.00 C ATOM 373 O CYS A 22 -2.547 12.099 -7.024 1.00 0.00 O ATOM 374 CB CYS A 22 -1.376 10.792 -4.028 1.00 0.00 C ATOM 375 SG CYS A 22 -0.872 12.488 -3.649 1.00 0.00 S ATOM 0 H CYS A 22 -2.622 8.850 -4.240 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.249 11.545 -4.772 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -1.665 10.285 -3.107 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -0.528 10.245 -4.441 1.00 0.00 H new ATOM 0 HG CYS A 22 -1.117 12.744 -2.398 1.00 0.00 H new ATOM 627 N HIS A 39 5.626 12.015 3.557 1.00 0.00 N ATOM 628 CA HIS A 39 6.313 10.862 2.949 1.00 0.00 C ATOM 629 C HIS A 39 5.656 10.250 1.702 1.00 0.00 C ATOM 630 O HIS A 39 6.203 9.288 1.160 1.00 0.00 O ATOM 631 CB HIS A 39 6.651 9.817 4.028 1.00 0.00 C ATOM 632 CG HIS A 39 7.952 10.154 4.713 1.00 0.00 C ATOM 633 ND1 HIS A 39 9.191 10.188 4.096 1.00 0.00 N ATOM 634 CD2 HIS A 39 8.114 10.506 6.024 1.00 0.00 C ATOM 635 CE1 HIS A 39 10.096 10.566 5.023 1.00 0.00 C ATOM 636 NE2 HIS A 39 9.464 10.766 6.201 1.00 0.00 N ATOM 0 HA HIS A 39 7.237 11.266 2.535 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.848 9.775 4.764 1.00 0.00 H new ATOM 0 HB3 HIS A 39 6.720 8.828 3.574 1.00 0.00 H new ATOM 0 HD2 HIS A 39 7.341 10.569 6.775 1.00 0.00 H new ATOM 0 HE1 HIS A 39 11.155 10.689 4.851 1.00 0.00 H new ATOM 0 HE2 HIS A 39 9.906 11.059 7.073 1.00 0.00 H new ATOM 645 N CYS A 40 4.539 10.794 1.213 1.00 0.00 N ATOM 646 CA CYS A 40 3.880 10.335 -0.014 1.00 0.00 C ATOM 647 C CYS A 40 4.888 10.201 -1.179 1.00 0.00 C ATOM 648 O CYS A 40 4.957 9.169 -1.845 1.00 0.00 O ATOM 649 CB CYS A 40 2.734 11.299 -0.319 1.00 0.00 C ATOM 650 SG CYS A 40 1.726 10.659 -1.677 1.00 0.00 S ATOM 0 H CYS A 40 4.061 11.575 1.663 1.00 0.00 H new ATOM 0 HA CYS A 40 3.470 9.334 0.122 1.00 0.00 H new ATOM 0 HB2 CYS A 40 2.117 11.435 0.569 1.00 0.00 H new ATOM 0 HB3 CYS A 40 3.133 12.278 -0.583 1.00 0.00 H new ATOM 0 HG CYS A 40 0.601 10.208 -1.207 1.00 0.00 H new ATOM 655 N ARG A 41 5.748 11.217 -1.363 1.00 0.00 N ATOM 656 CA ARG A 41 6.866 11.257 -2.329 1.00 0.00 C ATOM 657 C ARG A 41 7.747 10.010 -2.255 1.00 0.00 C ATOM 658 O ARG A 41 8.049 9.416 -3.290 1.00 0.00 O ATOM 659 CB ARG A 41 7.716 12.510 -2.086 1.00 0.00 C ATOM 660 CG ARG A 41 6.970 13.779 -2.517 1.00 0.00 C ATOM 661 CD ARG A 41 7.654 15.046 -1.984 1.00 0.00 C ATOM 662 NE ARG A 41 7.616 15.101 -0.506 1.00 0.00 N ATOM 663 CZ ARG A 41 8.274 15.918 0.292 1.00 0.00 C ATOM 664 NH1 ARG A 41 9.044 16.868 -0.157 1.00 0.00 N ATOM 665 NH2 ARG A 41 8.155 15.786 1.581 1.00 0.00 N ATOM 0 H ARG A 41 5.682 12.076 -0.817 1.00 0.00 H new ATOM 0 HA ARG A 41 6.431 11.287 -3.328 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.974 12.578 -1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.652 12.430 -2.638 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.922 13.821 -3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.943 13.739 -2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.689 15.072 -2.324 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.161 15.927 -2.395 1.00 0.00 H new ATOM 0 HE ARG A 41 7.006 14.424 -0.049 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.156 17.002 -1.162 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.535 17.478 0.496 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.557 15.055 1.966 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.660 16.413 2.207 1.00 0.00 H new ATOM 679 N THR A 42 8.144 9.604 -1.047 1.00 0.00 N ATOM 680 CA THR A 42 8.932 8.390 -0.790 1.00 0.00 C ATOM 681 C THR A 42 8.197 7.177 -1.361 1.00 0.00 C ATOM 682 O THR A 42 8.750 6.444 -2.180 1.00 0.00 O ATOM 683 CB THR A 42 9.202 8.189 0.715 1.00 0.00 C ATOM 684 OG1 THR A 42 9.664 9.383 1.323 1.00 0.00 O ATOM 685 CG2 THR A 42 10.257 7.110 0.947 1.00 0.00 C ATOM 0 H THR A 42 7.922 10.122 -0.197 1.00 0.00 H new ATOM 0 HA THR A 42 9.899 8.502 -1.281 1.00 0.00 H new ATOM 0 HB THR A 42 8.253 7.889 1.160 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.354 9.418 2.252 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.426 6.991 2.017 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.910 6.166 0.527 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.189 7.402 0.463 1.00 0.00 H new ATOM 693 N MET A 43 6.934 6.983 -0.972 1.00 0.00 N ATOM 694 CA MET A 43 6.089 5.896 -1.472 1.00 0.00 C ATOM 695 C MET A 43 5.875 5.964 -2.994 1.00 0.00 C ATOM 696 O MET A 43 5.910 4.918 -3.629 1.00 0.00 O ATOM 697 CB MET A 43 4.768 5.809 -0.702 1.00 0.00 C ATOM 698 CG MET A 43 4.897 5.061 0.628 1.00 0.00 C ATOM 699 SD MET A 43 5.951 5.791 1.918 1.00 0.00 S ATOM 700 CE MET A 43 7.455 4.796 1.722 1.00 0.00 C ATOM 0 H MET A 43 6.465 7.583 -0.294 1.00 0.00 H new ATOM 0 HA MET A 43 6.630 4.968 -1.287 1.00 0.00 H new ATOM 0 HB2 MET A 43 4.398 6.817 -0.511 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.025 5.309 -1.323 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.896 4.941 1.042 1.00 0.00 H new ATOM 0 HG3 MET A 43 5.275 4.061 0.414 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.216 5.145 2.421 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.228 3.749 1.925 1.00 0.00 H new ATOM 0 HE3 MET A 43 7.826 4.895 0.702 1.00 0.00 H new ATOM 710 N LYS A 44 5.690 7.140 -3.611 1.00 0.00 N ATOM 711 CA LYS A 44 5.573 7.306 -5.077 1.00 0.00 C ATOM 712 C LYS A 44 6.846 6.844 -5.794 1.00 0.00 C ATOM 713 O LYS A 44 6.765 6.081 -6.757 1.00 0.00 O ATOM 714 CB LYS A 44 5.230 8.755 -5.462 1.00 0.00 C ATOM 715 CG LYS A 44 3.757 9.111 -5.207 1.00 0.00 C ATOM 716 CD LYS A 44 3.442 10.469 -5.859 1.00 0.00 C ATOM 717 CE LYS A 44 2.016 10.959 -5.580 1.00 0.00 C ATOM 718 NZ LYS A 44 1.925 11.762 -4.347 1.00 0.00 N ATOM 0 H LYS A 44 5.616 8.021 -3.102 1.00 0.00 H new ATOM 0 HA LYS A 44 4.749 6.672 -5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.866 9.436 -4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.458 8.909 -6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.108 8.338 -5.618 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.562 9.155 -4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.152 11.212 -5.496 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.587 10.389 -6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.669 11.555 -6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.349 10.100 -5.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.976 12.181 -4.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.099 11.153 -3.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.637 12.520 -4.373 1.00 0.00 H new ATOM 732 N ASN A 45 8.022 7.269 -5.321 1.00 0.00 N ATOM 733 CA ASN A 45 9.317 6.812 -5.853 1.00 0.00 C ATOM 734 C ASN A 45 9.419 5.274 -5.763 1.00 0.00 C ATOM 735 O ASN A 45 9.757 4.604 -6.741 1.00 0.00 O ATOM 736 CB ASN A 45 10.474 7.511 -5.115 1.00 0.00 C ATOM 737 CG ASN A 45 10.778 8.887 -5.684 1.00 0.00 C ATOM 738 OD1 ASN A 45 11.641 9.055 -6.534 1.00 0.00 O ATOM 739 ND2 ASN A 45 10.085 9.913 -5.246 1.00 0.00 N ATOM 0 H ASN A 45 8.107 7.940 -4.558 1.00 0.00 H new ATOM 0 HA ASN A 45 9.390 7.084 -6.906 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.223 7.605 -4.059 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.368 6.890 -5.176 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.267 10.846 -5.615 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.364 9.776 -4.537 1.00 0.00 H new ATOM 746 N VAL A 46 9.084 4.715 -4.596 1.00 0.00 N ATOM 747 CA VAL A 46 9.034 3.267 -4.321 1.00 0.00 C ATOM 748 C VAL A 46 8.060 2.551 -5.280 1.00 0.00 C ATOM 749 O VAL A 46 8.444 1.562 -5.895 1.00 0.00 O ATOM 750 CB VAL A 46 8.726 3.031 -2.828 1.00 0.00 C ATOM 751 CG1 VAL A 46 8.294 1.605 -2.491 1.00 0.00 C ATOM 752 CG2 VAL A 46 9.955 3.357 -1.971 1.00 0.00 C ATOM 0 H VAL A 46 8.830 5.276 -3.783 1.00 0.00 H new ATOM 0 HA VAL A 46 10.009 2.821 -4.517 1.00 0.00 H new ATOM 0 HB VAL A 46 7.888 3.693 -2.608 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.098 1.527 -1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.388 1.359 -3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 46 9.088 0.910 -2.765 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.722 3.185 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.786 2.716 -2.268 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.233 4.401 -2.115 1.00 0.00 H new ATOM 762 N LEU A 47 6.834 3.057 -5.456 1.00 0.00 N ATOM 763 CA LEU A 47 5.776 2.568 -6.358 1.00 0.00 C ATOM 764 C LEU A 47 6.278 2.426 -7.805 1.00 0.00 C ATOM 765 O LEU A 47 6.110 1.382 -8.436 1.00 0.00 O ATOM 766 CB LEU A 47 4.559 3.511 -6.216 1.00 0.00 C ATOM 767 CG LEU A 47 3.253 3.149 -6.939 1.00 0.00 C ATOM 768 CD1 LEU A 47 3.237 3.418 -8.442 1.00 0.00 C ATOM 769 CD2 LEU A 47 2.877 1.697 -6.706 1.00 0.00 C ATOM 0 H LEU A 47 6.530 3.879 -4.935 1.00 0.00 H new ATOM 0 HA LEU A 47 5.471 1.560 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.334 3.601 -5.153 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.865 4.498 -6.562 1.00 0.00 H new ATOM 0 HG LEU A 47 2.521 3.823 -6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.270 3.127 -8.853 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.404 4.480 -8.623 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.025 2.839 -8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.948 1.473 -7.231 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.671 1.051 -7.081 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.741 1.523 -5.639 1.00 0.00 H new ATOM 781 N ASN A 48 6.919 3.473 -8.321 1.00 0.00 N ATOM 782 CA ASN A 48 7.532 3.498 -9.652 1.00 0.00 C ATOM 783 C ASN A 48 8.612 2.412 -9.803 1.00 0.00 C ATOM 784 O ASN A 48 8.690 1.743 -10.833 1.00 0.00 O ATOM 785 CB ASN A 48 8.124 4.893 -9.900 1.00 0.00 C ATOM 786 CG ASN A 48 8.753 4.991 -11.282 1.00 0.00 C ATOM 787 OD1 ASN A 48 8.085 4.917 -12.305 1.00 0.00 O ATOM 788 ND2 ASN A 48 10.055 5.150 -11.363 1.00 0.00 N ATOM 0 H ASN A 48 7.030 4.351 -7.814 1.00 0.00 H new ATOM 0 HA ASN A 48 6.764 3.285 -10.396 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.341 5.645 -9.801 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.875 5.112 -9.141 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.505 5.211 -12.276 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.615 5.212 -10.513 1.00 0.00 H new ATOM 795 N HIS A 49 9.464 2.242 -8.791 1.00 0.00 N ATOM 796 CA HIS A 49 10.508 1.220 -8.777 1.00 0.00 C ATOM 797 C HIS A 49 9.899 -0.202 -8.723 1.00 0.00 C ATOM 798 O HIS A 49 10.216 -1.031 -9.576 1.00 0.00 O ATOM 799 CB HIS A 49 11.481 1.532 -7.632 1.00 0.00 C ATOM 800 CG HIS A 49 12.555 0.485 -7.480 1.00 0.00 C ATOM 801 ND1 HIS A 49 13.744 0.421 -8.178 1.00 0.00 N ATOM 802 CD2 HIS A 49 12.445 -0.660 -6.739 1.00 0.00 C ATOM 803 CE1 HIS A 49 14.324 -0.760 -7.882 1.00 0.00 C ATOM 804 NE2 HIS A 49 13.572 -1.446 -7.005 1.00 0.00 N ATOM 0 H HIS A 49 9.447 2.817 -7.949 1.00 0.00 H new ATOM 0 HA HIS A 49 11.079 1.239 -9.706 1.00 0.00 H new ATOM 0 HB2 HIS A 49 11.947 2.501 -7.810 1.00 0.00 H new ATOM 0 HB3 HIS A 49 10.924 1.613 -6.699 1.00 0.00 H new ATOM 0 HD1 HIS A 49 14.116 1.136 -8.803 1.00 0.00 H new ATOM 0 HD2 HIS A 49 11.635 -0.912 -6.070 1.00 0.00 H new ATOM 0 HE1 HIS A 49 15.261 -1.106 -8.292 1.00 0.00 H new ATOM 812 N MET A 50 9.002 -0.472 -7.762 1.00 0.00 N ATOM 813 CA MET A 50 8.271 -1.730 -7.520 1.00 0.00 C ATOM 814 C MET A 50 7.787 -2.440 -8.796 1.00 0.00 C ATOM 815 O MET A 50 8.021 -3.637 -8.963 1.00 0.00 O ATOM 816 CB MET A 50 7.032 -1.459 -6.651 1.00 0.00 C ATOM 817 CG MET A 50 7.215 -1.457 -5.135 1.00 0.00 C ATOM 818 SD MET A 50 5.963 -0.468 -4.260 1.00 0.00 S ATOM 819 CE MET A 50 4.460 -1.227 -4.903 1.00 0.00 C ATOM 0 H MET A 50 8.747 0.240 -7.078 1.00 0.00 H new ATOM 0 HA MET A 50 8.991 -2.384 -7.027 1.00 0.00 H new ATOM 0 HB2 MET A 50 6.624 -0.491 -6.941 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.279 -2.208 -6.897 1.00 0.00 H new ATOM 0 HG2 MET A 50 7.177 -2.483 -4.770 1.00 0.00 H new ATOM 0 HG3 MET A 50 8.206 -1.070 -4.896 1.00 0.00 H new ATOM 0 HE1 MET A 50 3.651 -1.098 -4.184 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.187 -0.752 -5.846 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.632 -2.291 -5.069 1.00 0.00 H new ATOM 829 N THR A 51 7.072 -1.730 -9.677 1.00 0.00 N ATOM 830 CA THR A 51 6.516 -2.283 -10.926 1.00 0.00 C ATOM 831 C THR A 51 7.592 -2.855 -11.851 1.00 0.00 C ATOM 832 O THR A 51 7.440 -3.960 -12.378 1.00 0.00 O ATOM 833 CB THR A 51 5.691 -1.244 -11.700 1.00 0.00 C ATOM 834 OG1 THR A 51 6.372 -0.011 -11.765 1.00 0.00 O ATOM 835 CG2 THR A 51 4.331 -1.005 -11.046 1.00 0.00 C ATOM 0 H THR A 51 6.858 -0.742 -9.544 1.00 0.00 H new ATOM 0 HA THR A 51 5.863 -3.097 -10.612 1.00 0.00 H new ATOM 0 HB THR A 51 5.544 -1.645 -12.703 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.135 -0.091 -12.375 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.776 -0.264 -11.621 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.770 -1.939 -11.021 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.475 -0.641 -10.029 1.00 0.00 H new ATOM 843 N HIS A 52 8.672 -2.102 -12.060 1.00 0.00 N ATOM 844 CA HIS A 52 9.814 -2.458 -12.911 1.00 0.00 C ATOM 845 C HIS A 52 10.708 -3.547 -12.291 1.00 0.00 C ATOM 846 O HIS A 52 11.144 -4.456 -13.001 1.00 0.00 O ATOM 847 CB HIS A 52 10.607 -1.182 -13.232 1.00 0.00 C ATOM 848 CG HIS A 52 9.792 -0.166 -14.000 1.00 0.00 C ATOM 849 ND1 HIS A 52 9.122 0.919 -13.463 1.00 0.00 N ATOM 850 CD2 HIS A 52 9.545 -0.190 -15.344 1.00 0.00 C ATOM 851 CE1 HIS A 52 8.494 1.556 -14.470 1.00 0.00 C ATOM 852 NE2 HIS A 52 8.739 0.902 -15.626 1.00 0.00 N ATOM 0 H HIS A 52 8.782 -1.187 -11.623 1.00 0.00 H new ATOM 0 HA HIS A 52 9.433 -2.894 -13.834 1.00 0.00 H new ATOM 0 HB2 HIS A 52 10.957 -0.733 -12.302 1.00 0.00 H new ATOM 0 HB3 HIS A 52 11.492 -1.445 -13.812 1.00 0.00 H new ATOM 0 HD1 HIS A 52 9.106 1.189 -12.479 1.00 0.00 H new ATOM 0 HD2 HIS A 52 9.909 -0.921 -16.052 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.891 2.447 -14.369 1.00 0.00 H new ATOM 861 N CYS A 53 10.998 -3.448 -10.993 1.00 0.00 N ATOM 862 CA CYS A 53 11.847 -4.351 -10.217 1.00 0.00 C ATOM 863 C CYS A 53 11.333 -5.811 -10.199 1.00 0.00 C ATOM 864 O CYS A 53 10.219 -6.101 -9.746 1.00 0.00 O ATOM 865 CB CYS A 53 11.958 -3.755 -8.813 1.00 0.00 C ATOM 866 SG CYS A 53 12.970 -4.809 -7.725 1.00 0.00 S ATOM 0 H CYS A 53 10.624 -2.690 -10.422 1.00 0.00 H new ATOM 0 HA CYS A 53 12.829 -4.426 -10.684 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.399 -2.760 -8.872 1.00 0.00 H new ATOM 0 HB3 CYS A 53 10.962 -3.638 -8.386 1.00 0.00 H new ATOM 0 HG CYS A 53 13.641 -4.062 -6.899 1.00 0.00 H new ATOM 871 N GLN A 54 12.163 -6.741 -10.684 1.00 0.00 N ATOM 872 CA GLN A 54 11.883 -8.185 -10.751 1.00 0.00 C ATOM 873 C GLN A 54 12.564 -8.999 -9.629 1.00 0.00 C ATOM 874 O GLN A 54 12.262 -10.182 -9.456 1.00 0.00 O ATOM 875 CB GLN A 54 12.313 -8.728 -12.126 1.00 0.00 C ATOM 876 CG GLN A 54 11.560 -8.071 -13.293 1.00 0.00 C ATOM 877 CD GLN A 54 11.893 -8.739 -14.625 1.00 0.00 C ATOM 878 OE1 GLN A 54 12.824 -8.367 -15.329 1.00 0.00 O ATOM 879 NE2 GLN A 54 11.152 -9.752 -15.028 1.00 0.00 N ATOM 0 H GLN A 54 13.083 -6.503 -11.055 1.00 0.00 H new ATOM 0 HA GLN A 54 10.809 -8.304 -10.608 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.383 -8.568 -12.255 1.00 0.00 H new ATOM 0 HB3 GLN A 54 12.146 -9.805 -12.154 1.00 0.00 H new ATOM 0 HG2 GLN A 54 10.487 -8.131 -13.114 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.816 -7.013 -13.342 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.373 -10.074 -14.454 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.358 -10.214 -15.914 1.00 0.00 H new ATOM 888 N ALA A 55 13.479 -8.390 -8.867 1.00 0.00 N ATOM 889 CA ALA A 55 14.229 -9.021 -7.778 1.00 0.00 C ATOM 890 C ALA A 55 13.336 -9.499 -6.611 1.00 0.00 C ATOM 891 O ALA A 55 13.597 -10.555 -6.027 1.00 0.00 O ATOM 892 CB ALA A 55 15.316 -8.043 -7.322 1.00 0.00 C ATOM 0 H ALA A 55 13.726 -7.409 -8.997 1.00 0.00 H new ATOM 0 HA ALA A 55 14.687 -9.937 -8.151 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.890 -8.490 -6.510 1.00 0.00 H new ATOM 0 HB2 ALA A 55 15.980 -7.822 -8.157 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.852 -7.120 -6.974 1.00 0.00 H new ATOM 898 N GLY A 56 12.291 -8.739 -6.262 1.00 0.00 N ATOM 899 CA GLY A 56 11.334 -9.069 -5.197 1.00 0.00 C ATOM 900 C GLY A 56 11.995 -9.184 -3.822 1.00 0.00 C ATOM 901 O GLY A 56 12.415 -8.181 -3.243 1.00 0.00 O ATOM 0 H GLY A 56 12.081 -7.854 -6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.560 -8.303 -5.160 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.840 -10.010 -5.438 1.00 0.00 H new ATOM 905 N LYS A 57 12.115 -10.415 -3.306 1.00 0.00 N ATOM 906 CA LYS A 57 12.769 -10.725 -2.020 1.00 0.00 C ATOM 907 C LYS A 57 14.223 -10.232 -1.975 1.00 0.00 C ATOM 908 O LYS A 57 14.689 -9.746 -0.945 1.00 0.00 O ATOM 909 CB LYS A 57 12.758 -12.243 -1.756 1.00 0.00 C ATOM 910 CG LYS A 57 11.373 -12.890 -1.621 1.00 0.00 C ATOM 911 CD LYS A 57 10.554 -12.336 -0.447 1.00 0.00 C ATOM 912 CE LYS A 57 9.333 -13.231 -0.248 1.00 0.00 C ATOM 913 NZ LYS A 57 8.448 -12.747 0.833 1.00 0.00 N ATOM 0 H LYS A 57 11.753 -11.243 -3.779 1.00 0.00 H new ATOM 0 HA LYS A 57 12.200 -10.204 -1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 57 13.291 -12.737 -2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.319 -12.437 -0.842 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.817 -12.738 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.493 -13.966 -1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.159 -12.312 0.460 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.244 -11.311 -0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.769 -13.283 -1.179 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.663 -14.244 -0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.500 -13.159 0.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.838 -13.032 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.383 -11.710 0.790 1.00 0.00 H new ATOM 927 N ALA A 58 14.943 -10.405 -3.086 1.00 0.00 N ATOM 928 CA ALA A 58 16.360 -10.083 -3.252 1.00 0.00 C ATOM 929 C ALA A 58 16.707 -8.578 -3.304 1.00 0.00 C ATOM 930 O ALA A 58 17.874 -8.232 -3.088 1.00 0.00 O ATOM 931 CB ALA A 58 16.864 -10.814 -4.503 1.00 0.00 C ATOM 0 H ALA A 58 14.532 -10.793 -3.935 1.00 0.00 H new ATOM 0 HA ALA A 58 16.870 -10.423 -2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.921 -10.592 -4.653 1.00 0.00 H new ATOM 0 HB2 ALA A 58 16.733 -11.888 -4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 58 16.297 -10.481 -5.372 1.00 0.00 H new ATOM 937 N CYS A 59 15.750 -7.683 -3.585 1.00 0.00 N ATOM 938 CA CYS A 59 16.002 -6.242 -3.657 1.00 0.00 C ATOM 939 C CYS A 59 16.412 -5.687 -2.274 1.00 0.00 C ATOM 940 O CYS A 59 15.748 -5.921 -1.256 1.00 0.00 O ATOM 941 CB CYS A 59 14.778 -5.527 -4.252 1.00 0.00 C ATOM 942 SG CYS A 59 15.253 -3.907 -4.954 1.00 0.00 S ATOM 0 H CYS A 59 14.780 -7.940 -3.768 1.00 0.00 H new ATOM 0 HA CYS A 59 16.843 -6.051 -4.323 1.00 0.00 H new ATOM 0 HB2 CYS A 59 14.330 -6.148 -5.028 1.00 0.00 H new ATOM 0 HB3 CYS A 59 14.022 -5.387 -3.480 1.00 0.00 H new ATOM 0 HG CYS A 59 14.596 -2.962 -4.349 1.00 0.00 H new ATOM 947 N GLN A 60 17.546 -4.982 -2.234 1.00 0.00 N ATOM 948 CA GLN A 60 18.149 -4.414 -1.021 1.00 0.00 C ATOM 949 C GLN A 60 17.292 -3.322 -0.353 1.00 0.00 C ATOM 950 O GLN A 60 17.352 -3.153 0.868 1.00 0.00 O ATOM 951 CB GLN A 60 19.551 -3.867 -1.340 1.00 0.00 C ATOM 952 CG GLN A 60 20.527 -4.966 -1.794 1.00 0.00 C ATOM 953 CD GLN A 60 21.936 -4.415 -2.016 1.00 0.00 C ATOM 954 OE1 GLN A 60 22.329 -4.051 -3.119 1.00 0.00 O ATOM 955 NE2 GLN A 60 22.752 -4.329 -0.985 1.00 0.00 N ATOM 0 H GLN A 60 18.090 -4.783 -3.074 1.00 0.00 H new ATOM 0 HA GLN A 60 18.216 -5.229 -0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 60 19.473 -3.111 -2.121 1.00 0.00 H new ATOM 0 HB3 GLN A 60 19.953 -3.372 -0.456 1.00 0.00 H new ATOM 0 HG2 GLN A 60 20.559 -5.756 -1.044 1.00 0.00 H new ATOM 0 HG3 GLN A 60 20.163 -5.417 -2.717 1.00 0.00 H new ATOM 0 HE21 GLN A 60 22.440 -4.628 -0.061 1.00 0.00 H new ATOM 0 HE22 GLN A 60 23.696 -3.964 -1.111 1.00 0.00 H new ATOM 964 N VAL A 61 16.509 -2.570 -1.135 1.00 0.00 N ATOM 965 CA VAL A 61 15.635 -1.485 -0.662 1.00 0.00 C ATOM 966 C VAL A 61 14.525 -2.041 0.250 1.00 0.00 C ATOM 967 O VAL A 61 13.696 -2.849 -0.175 1.00 0.00 O ATOM 968 CB VAL A 61 15.041 -0.702 -1.855 1.00 0.00 C ATOM 969 CG1 VAL A 61 14.173 0.476 -1.386 1.00 0.00 C ATOM 970 CG2 VAL A 61 16.136 -0.130 -2.770 1.00 0.00 C ATOM 0 H VAL A 61 16.463 -2.702 -2.145 1.00 0.00 H new ATOM 0 HA VAL A 61 16.235 -0.790 -0.074 1.00 0.00 H new ATOM 0 HB VAL A 61 14.435 -1.423 -2.404 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.774 1.002 -2.253 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.350 0.102 -0.778 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.779 1.162 -0.794 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.674 0.412 -3.595 1.00 0.00 H new ATOM 0 HG22 VAL A 61 16.769 0.549 -2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.742 -0.945 -3.166 1.00 0.00 H new ATOM 980 N ALA A 62 14.505 -1.597 1.512 1.00 0.00 N ATOM 981 CA ALA A 62 13.551 -2.001 2.553 1.00 0.00 C ATOM 982 C ALA A 62 12.084 -1.947 2.083 1.00 0.00 C ATOM 983 O ALA A 62 11.359 -2.945 2.125 1.00 0.00 O ATOM 984 CB ALA A 62 13.803 -1.120 3.788 1.00 0.00 C ATOM 0 H ALA A 62 15.184 -0.915 1.851 1.00 0.00 H new ATOM 0 HA ALA A 62 13.715 -3.049 2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.108 -1.397 4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.826 -1.265 4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.654 -0.073 3.524 1.00 0.00 H new ATOM 990 N HIS A 63 11.651 -0.769 1.626 1.00 0.00 N ATOM 991 CA HIS A 63 10.295 -0.491 1.129 1.00 0.00 C ATOM 992 C HIS A 63 9.903 -1.363 -0.079 1.00 0.00 C ATOM 993 O HIS A 63 8.794 -1.892 -0.100 1.00 0.00 O ATOM 994 CB HIS A 63 10.149 1.013 0.846 1.00 0.00 C ATOM 995 CG HIS A 63 10.538 1.881 2.021 1.00 0.00 C ATOM 996 ND1 HIS A 63 9.807 2.050 3.184 1.00 0.00 N ATOM 997 CD2 HIS A 63 11.710 2.577 2.148 1.00 0.00 C ATOM 998 CE1 HIS A 63 10.541 2.814 4.018 1.00 0.00 C ATOM 999 NE2 HIS A 63 11.696 3.154 3.406 1.00 0.00 N ATOM 0 H HIS A 63 12.257 0.051 1.589 1.00 0.00 H new ATOM 0 HA HIS A 63 9.586 -0.767 1.909 1.00 0.00 H new ATOM 0 HB2 HIS A 63 10.767 1.276 -0.012 1.00 0.00 H new ATOM 0 HB3 HIS A 63 9.116 1.226 0.572 1.00 0.00 H new ATOM 0 HD1 HIS A 63 8.881 1.666 3.375 1.00 0.00 H new ATOM 0 HD2 HIS A 63 12.494 2.660 1.410 1.00 0.00 H new ATOM 0 HE1 HIS A 63 10.251 3.107 5.016 1.00 0.00 H new ATOM 1008 N CYS A 64 10.797 -1.540 -1.056 1.00 0.00 N ATOM 1009 CA CYS A 64 10.598 -2.374 -2.250 1.00 0.00 C ATOM 1010 C CYS A 64 10.276 -3.840 -1.882 1.00 0.00 C ATOM 1011 O CYS A 64 9.317 -4.434 -2.387 1.00 0.00 O ATOM 1012 CB CYS A 64 11.860 -2.276 -3.114 1.00 0.00 C ATOM 1013 SG CYS A 64 11.651 -3.218 -4.647 1.00 0.00 S ATOM 0 H CYS A 64 11.713 -1.091 -1.039 1.00 0.00 H new ATOM 0 HA CYS A 64 9.736 -2.010 -2.809 1.00 0.00 H new ATOM 0 HB2 CYS A 64 12.069 -1.232 -3.347 1.00 0.00 H new ATOM 0 HB3 CYS A 64 12.718 -2.657 -2.560 1.00 0.00 H new ATOM 0 HG CYS A 64 12.810 -3.637 -5.060 1.00 0.00 H new ATOM 1018 N ALA A 65 11.053 -4.416 -0.959 1.00 0.00 N ATOM 1019 CA ALA A 65 10.821 -5.755 -0.435 1.00 0.00 C ATOM 1020 C ALA A 65 9.476 -5.803 0.312 1.00 0.00 C ATOM 1021 O ALA A 65 8.626 -6.623 -0.024 1.00 0.00 O ATOM 1022 CB ALA A 65 11.999 -6.164 0.461 1.00 0.00 C ATOM 0 H ALA A 65 11.868 -3.956 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 65 10.760 -6.473 -1.253 1.00 0.00 H new ATOM 0 HB1 ALA A 65 11.827 -7.166 0.854 1.00 0.00 H new ATOM 0 HB2 ALA A 65 12.920 -6.156 -0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 65 12.088 -5.460 1.289 1.00 0.00 H new ATOM 1028 N SER A 66 9.287 -4.934 1.315 1.00 0.00 N ATOM 1029 CA SER A 66 8.106 -4.819 2.193 1.00 0.00 C ATOM 1030 C SER A 66 6.765 -4.648 1.464 1.00 0.00 C ATOM 1031 O SER A 66 5.826 -5.402 1.724 1.00 0.00 O ATOM 1032 CB SER A 66 8.279 -3.660 3.181 1.00 0.00 C ATOM 1033 OG SER A 66 9.444 -3.839 3.961 1.00 0.00 O ATOM 0 H SER A 66 10.001 -4.245 1.553 1.00 0.00 H new ATOM 0 HA SER A 66 8.058 -5.778 2.709 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.341 -2.718 2.637 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.406 -3.596 3.831 1.00 0.00 H new ATOM 0 HG SER A 66 10.226 -3.534 3.455 1.00 0.00 H new ATOM 1039 N SER A 67 6.664 -3.659 0.569 1.00 0.00 N ATOM 1040 CA SER A 67 5.478 -3.288 -0.227 1.00 0.00 C ATOM 1041 C SER A 67 4.746 -4.471 -0.860 1.00 0.00 C ATOM 1042 O SER A 67 3.518 -4.565 -0.813 1.00 0.00 O ATOM 1043 CB SER A 67 5.841 -2.262 -1.302 1.00 0.00 C ATOM 1044 OG SER A 67 6.898 -2.744 -2.098 1.00 0.00 O ATOM 0 H SER A 67 7.459 -3.053 0.364 1.00 0.00 H new ATOM 0 HA SER A 67 4.782 -2.849 0.488 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.971 -2.055 -1.926 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.129 -1.321 -0.834 1.00 0.00 H new ATOM 0 HG SER A 67 7.751 -2.582 -1.643 1.00 0.00 H new ATOM 1050 N ARG A 68 5.491 -5.399 -1.458 1.00 0.00 N ATOM 1051 CA ARG A 68 4.941 -6.603 -2.091 1.00 0.00 C ATOM 1052 C ARG A 68 4.079 -7.423 -1.108 1.00 0.00 C ATOM 1053 O ARG A 68 2.996 -7.860 -1.493 1.00 0.00 O ATOM 1054 CB ARG A 68 6.073 -7.374 -2.790 1.00 0.00 C ATOM 1055 CG ARG A 68 6.779 -6.504 -3.851 1.00 0.00 C ATOM 1056 CD ARG A 68 8.027 -7.174 -4.436 1.00 0.00 C ATOM 1057 NE ARG A 68 8.939 -6.160 -4.995 1.00 0.00 N ATOM 1058 CZ ARG A 68 9.456 -6.059 -6.205 1.00 0.00 C ATOM 1059 NH1 ARG A 68 9.255 -6.914 -7.168 1.00 0.00 N ATOM 1060 NH2 ARG A 68 10.229 -5.066 -6.472 1.00 0.00 N ATOM 0 H ARG A 68 6.507 -5.338 -1.519 1.00 0.00 H new ATOM 0 HA ARG A 68 4.235 -6.332 -2.876 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.800 -7.707 -2.049 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.667 -8.269 -3.263 1.00 0.00 H new ATOM 0 HG2 ARG A 68 6.079 -6.284 -4.657 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.060 -5.551 -3.404 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.538 -7.745 -3.661 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.738 -7.881 -5.214 1.00 0.00 H new ATOM 0 HE ARG A 68 9.213 -5.422 -4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.663 -7.729 -7.011 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.690 -6.768 -8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.434 -4.372 -5.753 1.00 0.00 H new ATOM 0 HH22 ARG A 68 10.637 -4.973 -7.402 1.00 0.00 H new ATOM 1074 N GLN A 69 4.484 -7.582 0.162 1.00 0.00 N ATOM 1075 CA GLN A 69 3.678 -8.258 1.204 1.00 0.00 C ATOM 1076 C GLN A 69 2.407 -7.473 1.564 1.00 0.00 C ATOM 1077 O GLN A 69 1.337 -8.074 1.597 1.00 0.00 O ATOM 1078 CB GLN A 69 4.412 -8.483 2.542 1.00 0.00 C ATOM 1079 CG GLN A 69 5.458 -9.604 2.589 1.00 0.00 C ATOM 1080 CD GLN A 69 6.738 -9.305 1.829 1.00 0.00 C ATOM 1081 OE1 GLN A 69 7.452 -10.187 1.374 1.00 0.00 O ATOM 1082 NE2 GLN A 69 7.110 -8.055 1.711 1.00 0.00 N ATOM 0 H GLN A 69 5.385 -7.245 0.502 1.00 0.00 H new ATOM 0 HA GLN A 69 3.452 -9.218 0.739 1.00 0.00 H new ATOM 0 HB2 GLN A 69 4.904 -7.550 2.818 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.663 -8.687 3.308 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.708 -9.807 3.630 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.015 -10.514 2.185 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.523 -7.310 2.087 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.987 -7.826 1.243 1.00 0.00 H new ATOM 1091 N ILE A 70 2.498 -6.171 1.884 1.00 0.00 N ATOM 1092 CA ILE A 70 1.319 -5.371 2.287 1.00 0.00 C ATOM 1093 C ILE A 70 0.182 -5.455 1.259 1.00 0.00 C ATOM 1094 O ILE A 70 -0.976 -5.664 1.633 1.00 0.00 O ATOM 1095 CB ILE A 70 1.632 -3.903 2.690 1.00 0.00 C ATOM 1096 CG1 ILE A 70 2.740 -3.194 1.898 1.00 0.00 C ATOM 1097 CG2 ILE A 70 1.892 -3.835 4.200 1.00 0.00 C ATOM 1098 CD1 ILE A 70 2.923 -1.692 2.180 1.00 0.00 C ATOM 0 H ILE A 70 3.373 -5.647 1.873 1.00 0.00 H new ATOM 0 HA ILE A 70 0.973 -5.842 3.207 1.00 0.00 H new ATOM 0 HB ILE A 70 0.741 -3.337 2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.684 -3.699 2.103 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.536 -3.320 0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.112 -2.806 4.485 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.008 -4.180 4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.741 -4.471 4.452 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.733 -1.302 1.563 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.000 -1.162 1.944 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.166 -1.546 3.232 1.00 0.00 H new ATOM 1110 N ILE A 71 0.506 -5.339 -0.032 1.00 0.00 N ATOM 1111 CA ILE A 71 -0.478 -5.469 -1.118 1.00 0.00 C ATOM 1112 C ILE A 71 -0.952 -6.922 -1.268 1.00 0.00 C ATOM 1113 O ILE A 71 -2.153 -7.144 -1.447 1.00 0.00 O ATOM 1114 CB ILE A 71 0.052 -4.825 -2.413 1.00 0.00 C ATOM 1115 CG1 ILE A 71 0.437 -3.343 -2.180 1.00 0.00 C ATOM 1116 CG2 ILE A 71 -0.981 -4.898 -3.545 1.00 0.00 C ATOM 1117 CD1 ILE A 71 -0.595 -2.506 -1.395 1.00 0.00 C ATOM 0 H ILE A 71 1.455 -5.153 -0.356 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.377 -4.908 -0.862 1.00 0.00 H new ATOM 0 HB ILE A 71 0.937 -5.390 -2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.387 -3.312 -1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.601 -2.871 -3.149 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.571 -4.434 -4.442 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.220 -5.941 -3.753 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.887 -4.371 -3.245 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.229 -1.485 -1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -1.542 -2.497 -1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.744 -2.944 -0.408 1.00 0.00 H new ATOM 1129 N SER A 72 -0.053 -7.911 -1.125 1.00 0.00 N ATOM 1130 CA SER A 72 -0.424 -9.337 -1.106 1.00 0.00 C ATOM 1131 C SER A 72 -1.499 -9.586 -0.046 1.00 0.00 C ATOM 1132 O SER A 72 -2.549 -10.138 -0.367 1.00 0.00 O ATOM 1133 CB SER A 72 0.750 -10.281 -0.805 1.00 0.00 C ATOM 1134 OG SER A 72 1.776 -10.193 -1.761 1.00 0.00 O ATOM 0 H SER A 72 0.948 -7.746 -1.020 1.00 0.00 H new ATOM 0 HA SER A 72 -0.784 -9.556 -2.111 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.155 -10.047 0.179 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.384 -11.307 -0.764 1.00 0.00 H new ATOM 0 HG SER A 72 2.423 -9.511 -1.485 1.00 0.00 H new ATOM 1140 N HIS A 73 -1.249 -9.173 1.202 1.00 0.00 N ATOM 1141 CA HIS A 73 -2.177 -9.324 2.319 1.00 0.00 C ATOM 1142 C HIS A 73 -3.544 -8.722 1.986 1.00 0.00 C ATOM 1143 O HIS A 73 -4.512 -9.474 1.921 1.00 0.00 O ATOM 1144 CB HIS A 73 -1.605 -8.755 3.629 1.00 0.00 C ATOM 1145 CG HIS A 73 -2.457 -9.111 4.832 1.00 0.00 C ATOM 1146 ND1 HIS A 73 -2.103 -9.979 5.841 1.00 0.00 N ATOM 1147 CD2 HIS A 73 -3.744 -8.700 5.087 1.00 0.00 C ATOM 1148 CE1 HIS A 73 -3.160 -10.102 6.669 1.00 0.00 C ATOM 1149 NE2 HIS A 73 -4.191 -9.341 6.251 1.00 0.00 N ATOM 0 H HIS A 73 -0.376 -8.715 1.465 1.00 0.00 H new ATOM 0 HA HIS A 73 -2.318 -10.393 2.481 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.594 -9.136 3.777 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.529 -7.671 3.549 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -1.202 -10.446 5.944 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.314 -8.002 4.492 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.178 -10.727 7.550 1.00 0.00 H new ATOM 1157 N TRP A 74 -3.641 -7.400 1.782 1.00 0.00 N ATOM 1158 CA TRP A 74 -4.930 -6.736 1.550 1.00 0.00 C ATOM 1159 C TRP A 74 -5.796 -7.388 0.461 1.00 0.00 C ATOM 1160 O TRP A 74 -6.988 -7.627 0.684 1.00 0.00 O ATOM 1161 CB TRP A 74 -4.773 -5.228 1.306 1.00 0.00 C ATOM 1162 CG TRP A 74 -6.086 -4.493 1.312 1.00 0.00 C ATOM 1163 CD1 TRP A 74 -7.058 -4.679 2.234 1.00 0.00 C ATOM 1164 CD2 TRP A 74 -6.625 -3.510 0.372 1.00 0.00 C ATOM 1165 NE1 TRP A 74 -8.163 -3.915 1.925 1.00 0.00 N ATOM 1166 CE2 TRP A 74 -7.952 -3.172 0.787 1.00 0.00 C ATOM 1167 CE3 TRP A 74 -6.142 -2.868 -0.791 1.00 0.00 C ATOM 1168 CZ2 TRP A 74 -8.753 -2.256 0.093 1.00 0.00 C ATOM 1169 CZ3 TRP A 74 -6.932 -1.928 -1.483 1.00 0.00 C ATOM 1170 CH2 TRP A 74 -8.233 -1.622 -1.041 1.00 0.00 C ATOM 0 H TRP A 74 -2.839 -6.769 1.773 1.00 0.00 H new ATOM 0 HA TRP A 74 -5.477 -6.875 2.482 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -4.123 -4.807 2.073 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.278 -5.070 0.348 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -6.980 -5.333 3.090 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -9.025 -3.902 2.470 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -5.152 -3.101 -1.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -9.757 -2.042 0.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.536 -1.438 -2.360 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -8.829 -0.898 -1.577 1.00 0.00 H new ATOM 1181 N LYS A 75 -5.225 -7.689 -0.717 1.00 0.00 N ATOM 1182 CA LYS A 75 -5.979 -8.318 -1.814 1.00 0.00 C ATOM 1183 C LYS A 75 -6.430 -9.754 -1.495 1.00 0.00 C ATOM 1184 O LYS A 75 -7.562 -10.119 -1.815 1.00 0.00 O ATOM 1185 CB LYS A 75 -5.208 -8.201 -3.138 1.00 0.00 C ATOM 1186 CG LYS A 75 -6.137 -8.530 -4.322 1.00 0.00 C ATOM 1187 CD LYS A 75 -5.672 -7.865 -5.624 1.00 0.00 C ATOM 1188 CE LYS A 75 -6.606 -8.147 -6.811 1.00 0.00 C ATOM 1189 NZ LYS A 75 -7.981 -7.615 -6.593 1.00 0.00 N ATOM 0 H LYS A 75 -4.245 -7.507 -0.934 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.910 -7.763 -1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.809 -7.193 -3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.357 -8.882 -3.134 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.177 -9.610 -4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.150 -8.201 -4.089 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.604 -6.788 -5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.669 -8.217 -5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.186 -7.702 -7.713 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.658 -9.222 -6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.441 -7.455 -7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.536 -8.301 -6.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.927 -6.716 -6.072 1.00 0.00 H new ATOM 1203 N ASN A 76 -5.572 -10.569 -0.873 1.00 0.00 N ATOM 1204 CA ASN A 76 -5.891 -11.952 -0.492 1.00 0.00 C ATOM 1205 C ASN A 76 -6.885 -12.058 0.687 1.00 0.00 C ATOM 1206 O ASN A 76 -7.750 -12.940 0.681 1.00 0.00 O ATOM 1207 CB ASN A 76 -4.609 -12.736 -0.191 1.00 0.00 C ATOM 1208 CG ASN A 76 -3.904 -13.181 -1.462 1.00 0.00 C ATOM 1209 OD1 ASN A 76 -4.216 -14.204 -2.055 1.00 0.00 O ATOM 1210 ND2 ASN A 76 -2.953 -12.415 -1.941 1.00 0.00 N ATOM 0 H ASN A 76 -4.626 -10.286 -0.616 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.395 -12.395 -1.351 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -3.935 -12.116 0.400 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -4.851 -13.609 0.414 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.477 -12.673 -2.805 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.690 -11.561 -1.449 1.00 0.00 H new ATOM 1217 N CYS A 77 -6.738 -11.213 1.711 1.00 0.00 N ATOM 1218 CA CYS A 77 -7.526 -11.201 2.943 1.00 0.00 C ATOM 1219 C CYS A 77 -9.043 -11.048 2.701 1.00 0.00 C ATOM 1220 O CYS A 77 -9.515 -10.158 1.984 1.00 0.00 O ATOM 1221 CB CYS A 77 -6.954 -10.113 3.870 1.00 0.00 C ATOM 1222 SG CYS A 77 -7.579 -10.248 5.578 1.00 0.00 S ATOM 0 H CYS A 77 -6.028 -10.481 1.701 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.438 -12.174 3.427 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -5.866 -10.183 3.878 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -7.207 -9.131 3.471 1.00 0.00 H new ATOM 0 HG CYS A 77 -7.837 -9.061 6.041 1.00 0.00 H new ATOM 1227 N THR A 78 -9.808 -11.943 3.328 1.00 0.00 N ATOM 1228 CA THR A 78 -11.281 -12.037 3.290 1.00 0.00 C ATOM 1229 C THR A 78 -11.897 -12.064 4.699 1.00 0.00 C ATOM 1230 O THR A 78 -13.094 -12.318 4.862 1.00 0.00 O ATOM 1231 CB THR A 78 -11.739 -13.255 2.459 1.00 0.00 C ATOM 1232 OG1 THR A 78 -11.016 -14.422 2.805 1.00 0.00 O ATOM 1233 CG2 THR A 78 -11.559 -13.017 0.959 1.00 0.00 C ATOM 0 H THR A 78 -9.397 -12.670 3.914 1.00 0.00 H new ATOM 0 HA THR A 78 -11.646 -11.135 2.800 1.00 0.00 H new ATOM 0 HB THR A 78 -12.796 -13.392 2.686 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.331 -15.175 2.262 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.892 -13.897 0.408 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.149 -12.153 0.654 1.00 0.00 H new ATOM 0 HG23 THR A 78 -10.507 -12.832 0.744 1.00 0.00 H new ATOM 1241 N ARG A 79 -11.101 -11.747 5.732 1.00 0.00 N ATOM 1242 CA ARG A 79 -11.508 -11.664 7.143 1.00 0.00 C ATOM 1243 C ARG A 79 -12.528 -10.534 7.355 1.00 0.00 C ATOM 1244 O ARG A 79 -12.414 -9.452 6.771 1.00 0.00 O ATOM 1245 CB ARG A 79 -10.235 -11.481 7.993 1.00 0.00 C ATOM 1246 CG ARG A 79 -10.450 -11.405 9.512 1.00 0.00 C ATOM 1247 CD ARG A 79 -10.939 -12.721 10.131 1.00 0.00 C ATOM 1248 NE ARG A 79 -11.428 -12.487 11.498 1.00 0.00 N ATOM 1249 CZ ARG A 79 -11.717 -13.355 12.444 1.00 0.00 C ATOM 1250 NH1 ARG A 79 -11.560 -14.641 12.300 1.00 0.00 N ATOM 1251 NH2 ARG A 79 -12.187 -12.903 13.567 1.00 0.00 N ATOM 0 H ARG A 79 -10.113 -11.532 5.601 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.012 -12.580 7.453 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -9.558 -12.309 7.782 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -9.733 -10.569 7.670 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -9.514 -11.115 9.989 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.175 -10.620 9.729 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -11.735 -13.145 9.520 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.127 -13.448 10.147 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.563 -11.508 11.750 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -11.198 -15.016 11.423 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -11.799 -15.273 13.064 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.323 -11.900 13.696 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.421 -13.551 14.320 1.00 0.00 H new ATOM 1265 N HIS A 80 -13.539 -10.796 8.186 1.00 0.00 N ATOM 1266 CA HIS A 80 -14.643 -9.874 8.503 1.00 0.00 C ATOM 1267 C HIS A 80 -14.259 -8.678 9.390 1.00 0.00 C ATOM 1268 O HIS A 80 -14.973 -7.678 9.384 1.00 0.00 O ATOM 1269 CB HIS A 80 -15.797 -10.668 9.142 1.00 0.00 C ATOM 1270 CG HIS A 80 -16.249 -11.863 8.331 1.00 0.00 C ATOM 1271 ND1 HIS A 80 -16.457 -13.141 8.820 1.00 0.00 N ATOM 1272 CD2 HIS A 80 -16.510 -11.873 6.987 1.00 0.00 C ATOM 1273 CE1 HIS A 80 -16.835 -13.919 7.782 1.00 0.00 C ATOM 1274 NE2 HIS A 80 -16.873 -13.169 6.659 1.00 0.00 N ATOM 0 H HIS A 80 -13.619 -11.687 8.677 1.00 0.00 H new ATOM 0 HA HIS A 80 -14.948 -9.430 7.555 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -15.486 -11.009 10.129 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -16.646 -10.000 9.289 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -16.445 -11.032 6.312 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.069 -14.972 7.841 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -17.126 -13.501 5.728 1.00 0.00 H new ATOM 1283 N ASP A 81 -13.181 -8.772 10.175 1.00 0.00 N ATOM 1284 CA ASP A 81 -12.737 -7.730 11.118 1.00 0.00 C ATOM 1285 C ASP A 81 -11.203 -7.540 11.221 1.00 0.00 C ATOM 1286 O ASP A 81 -10.693 -7.193 12.292 1.00 0.00 O ATOM 1287 CB ASP A 81 -13.390 -7.984 12.494 1.00 0.00 C ATOM 1288 CG ASP A 81 -12.765 -9.135 13.308 1.00 0.00 C ATOM 1289 OD1 ASP A 81 -12.402 -10.183 12.723 1.00 0.00 O ATOM 1290 OD2 ASP A 81 -12.680 -9.020 14.555 1.00 0.00 O ATOM 0 H ASP A 81 -12.576 -9.593 10.175 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.076 -6.776 10.713 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.330 -7.068 13.082 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.448 -8.198 12.344 1.00 0.00 H new ATOM 1295 N CYS A 82 -10.457 -7.701 10.116 1.00 0.00 N ATOM 1296 CA CYS A 82 -9.005 -7.451 10.092 1.00 0.00 C ATOM 1297 C CYS A 82 -8.779 -5.940 10.388 1.00 0.00 C ATOM 1298 O CYS A 82 -9.524 -5.105 9.853 1.00 0.00 O ATOM 1299 CB CYS A 82 -8.439 -7.844 8.714 1.00 0.00 C ATOM 1300 SG CYS A 82 -6.713 -8.452 8.725 1.00 0.00 S ATOM 0 H CYS A 82 -10.839 -8.006 9.220 1.00 0.00 H new ATOM 0 HA CYS A 82 -8.488 -8.048 10.844 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -9.077 -8.616 8.284 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -8.498 -6.978 8.054 1.00 0.00 H new ATOM 0 HG CYS A 82 -6.515 -9.216 7.692 1.00 0.00 H new ATOM 1305 N PRO A 83 -7.803 -5.544 11.226 1.00 0.00 N ATOM 1306 CA PRO A 83 -7.580 -4.151 11.642 1.00 0.00 C ATOM 1307 C PRO A 83 -7.260 -3.130 10.534 1.00 0.00 C ATOM 1308 O PRO A 83 -7.261 -1.928 10.815 1.00 0.00 O ATOM 1309 CB PRO A 83 -6.459 -4.214 12.688 1.00 0.00 C ATOM 1310 CG PRO A 83 -5.720 -5.501 12.327 1.00 0.00 C ATOM 1311 CD PRO A 83 -6.862 -6.416 11.907 1.00 0.00 C ATOM 0 HA PRO A 83 -8.523 -3.761 12.026 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.805 -3.344 12.631 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.856 -4.248 13.703 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -5.003 -5.347 11.520 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.165 -5.904 13.174 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.511 -7.211 11.249 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.322 -6.897 12.770 1.00 0.00 H new ATOM 1319 N VAL A 84 -6.999 -3.563 9.295 1.00 0.00 N ATOM 1320 CA VAL A 84 -6.691 -2.679 8.151 1.00 0.00 C ATOM 1321 C VAL A 84 -7.622 -2.984 6.982 1.00 0.00 C ATOM 1322 O VAL A 84 -8.274 -2.084 6.450 1.00 0.00 O ATOM 1323 CB VAL A 84 -5.220 -2.758 7.688 1.00 0.00 C ATOM 1324 CG1 VAL A 84 -4.817 -1.395 7.107 1.00 0.00 C ATOM 1325 CG2 VAL A 84 -4.251 -3.137 8.810 1.00 0.00 C ATOM 0 H VAL A 84 -6.994 -4.553 9.049 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.852 -1.660 8.502 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.155 -3.548 6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.780 -1.433 6.775 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.460 -1.156 6.260 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.924 -0.627 7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.235 -3.175 8.416 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.305 -2.393 9.604 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.522 -4.114 9.210 1.00 0.00 H new ATOM 1335 N CYS A 85 -7.696 -4.252 6.582 1.00 0.00 N ATOM 1336 CA CYS A 85 -8.509 -4.744 5.489 1.00 0.00 C ATOM 1337 C CYS A 85 -9.985 -4.343 5.633 1.00 0.00 C ATOM 1338 O CYS A 85 -10.570 -3.875 4.656 1.00 0.00 O ATOM 1339 CB CYS A 85 -8.302 -6.263 5.361 1.00 0.00 C ATOM 1340 SG CYS A 85 -6.542 -6.724 5.563 1.00 0.00 S ATOM 0 H CYS A 85 -7.163 -4.993 7.037 1.00 0.00 H new ATOM 0 HA CYS A 85 -8.187 -4.274 4.560 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -8.902 -6.777 6.112 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -8.657 -6.598 4.386 1.00 0.00 H new ATOM 0 HG CYS A 85 -6.389 -7.374 6.679 1.00 0.00 H new ATOM 1345 N LEU A 86 -10.586 -4.507 6.824 1.00 0.00 N ATOM 1346 CA LEU A 86 -11.975 -4.114 7.085 1.00 0.00 C ATOM 1347 C LEU A 86 -12.210 -2.606 6.856 1.00 0.00 C ATOM 1348 O LEU A 86 -13.010 -2.286 5.973 1.00 0.00 O ATOM 1349 CB LEU A 86 -12.478 -4.645 8.442 1.00 0.00 C ATOM 1350 CG LEU A 86 -13.992 -4.485 8.710 1.00 0.00 C ATOM 1351 CD1 LEU A 86 -14.434 -3.051 9.004 1.00 0.00 C ATOM 1352 CD2 LEU A 86 -14.859 -5.020 7.567 1.00 0.00 C ATOM 0 H LEU A 86 -10.118 -4.917 7.632 1.00 0.00 H new ATOM 0 HA LEU A 86 -12.604 -4.604 6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.226 -5.703 8.512 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -11.932 -4.134 9.235 1.00 0.00 H new ATOM 0 HG LEU A 86 -14.145 -5.083 9.608 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -15.510 -3.031 9.180 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -13.915 -2.684 9.889 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -14.193 -2.414 8.153 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -15.912 -4.880 7.813 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -14.626 -4.480 6.650 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -14.658 -6.082 7.424 1.00 0.00 H new ATOM 1364 N PRO A 87 -11.577 -1.661 7.588 1.00 0.00 N ATOM 1365 CA PRO A 87 -11.803 -0.231 7.363 1.00 0.00 C ATOM 1366 C PRO A 87 -11.593 0.179 5.894 1.00 0.00 C ATOM 1367 O PRO A 87 -12.409 0.930 5.358 1.00 0.00 O ATOM 1368 CB PRO A 87 -10.921 0.527 8.362 1.00 0.00 C ATOM 1369 CG PRO A 87 -9.918 -0.511 8.862 1.00 0.00 C ATOM 1370 CD PRO A 87 -10.636 -1.848 8.685 1.00 0.00 C ATOM 0 HA PRO A 87 -12.846 0.028 7.543 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -10.416 1.368 7.886 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.512 0.933 9.183 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -8.992 -0.478 8.288 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -9.653 -0.337 9.905 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -9.927 -2.644 8.458 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -11.156 -2.135 9.599 1.00 0.00 H new ATOM 1378 N LEU A 88 -10.563 -0.347 5.218 1.00 0.00 N ATOM 1379 CA LEU A 88 -10.330 -0.127 3.786 1.00 0.00 C ATOM 1380 C LEU A 88 -11.487 -0.652 2.920 1.00 0.00 C ATOM 1381 O LEU A 88 -12.068 0.133 2.171 1.00 0.00 O ATOM 1382 CB LEU A 88 -8.992 -0.735 3.354 1.00 0.00 C ATOM 1383 CG LEU A 88 -7.741 -0.017 3.887 1.00 0.00 C ATOM 1384 CD1 LEU A 88 -6.518 -0.750 3.351 1.00 0.00 C ATOM 1385 CD2 LEU A 88 -7.643 1.444 3.432 1.00 0.00 C ATOM 0 H LEU A 88 -9.861 -0.944 5.656 1.00 0.00 H new ATOM 0 HA LEU A 88 -10.284 0.950 3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.961 -1.774 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.950 -0.743 2.265 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.799 -0.022 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.613 -0.262 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.534 -1.784 3.694 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.530 -0.729 2.261 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.738 1.893 3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.607 1.484 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.514 1.995 3.787 1.00 0.00 H new ATOM 1397 N LYS A 89 -11.843 -1.945 2.989 1.00 0.00 N ATOM 1398 CA LYS A 89 -12.936 -2.538 2.188 1.00 0.00 C ATOM 1399 C LYS A 89 -14.292 -1.861 2.436 1.00 0.00 C ATOM 1400 O LYS A 89 -15.071 -1.695 1.500 1.00 0.00 O ATOM 1401 CB LYS A 89 -12.964 -4.078 2.308 1.00 0.00 C ATOM 1402 CG LYS A 89 -13.687 -4.656 3.535 1.00 0.00 C ATOM 1403 CD LYS A 89 -13.519 -6.180 3.694 1.00 0.00 C ATOM 1404 CE LYS A 89 -12.070 -6.582 4.017 1.00 0.00 C ATOM 1405 NZ LYS A 89 -11.921 -8.043 4.245 1.00 0.00 N ATOM 0 H LYS A 89 -11.381 -2.615 3.604 1.00 0.00 H new ATOM 0 HA LYS A 89 -12.718 -2.330 1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -13.436 -4.482 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.935 -4.439 2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -13.312 -4.163 4.432 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -14.749 -4.422 3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -14.176 -6.534 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.834 -6.675 2.775 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.421 -6.278 3.196 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.736 -6.043 4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.938 -8.325 4.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -12.162 -8.267 5.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -12.558 -8.561 3.607 1.00 0.00 H new ATOM 1731 N GLY B 114 9.814 8.791 11.605 1.00 0.00 N ATOM 1732 CA GLY B 114 9.300 9.264 10.317 1.00 0.00 C ATOM 1733 C GLY B 114 8.845 8.094 9.440 1.00 0.00 C ATOM 1734 O GLY B 114 7.669 7.992 9.094 1.00 0.00 O ATOM 0 HA2 GLY B 114 8.464 9.944 10.483 1.00 0.00 H new ATOM 0 HA3 GLY B 114 10.074 9.831 9.799 1.00 0.00 H new ATOM 1738 N LEU B 115 9.778 7.192 9.111 1.00 0.00 N ATOM 1739 CA LEU B 115 9.561 5.955 8.348 1.00 0.00 C ATOM 1740 C LEU B 115 10.447 4.809 8.884 1.00 0.00 C ATOM 1741 O LEU B 115 11.611 5.051 9.224 1.00 0.00 O ATOM 1742 CB LEU B 115 9.883 6.152 6.852 1.00 0.00 C ATOM 1743 CG LEU B 115 8.808 6.844 5.999 1.00 0.00 C ATOM 1744 CD1 LEU B 115 9.284 6.852 4.547 1.00 0.00 C ATOM 1745 CD2 LEU B 115 7.463 6.123 6.038 1.00 0.00 C ATOM 0 H LEU B 115 10.754 7.310 9.383 1.00 0.00 H new ATOM 0 HA LEU B 115 8.508 5.697 8.465 1.00 0.00 H new ATOM 0 HB2 LEU B 115 10.803 6.732 6.776 1.00 0.00 H new ATOM 0 HB3 LEU B 115 10.085 5.174 6.416 1.00 0.00 H new ATOM 0 HG LEU B 115 8.666 7.846 6.403 1.00 0.00 H new ATOM 0 HD11 LEU B 115 8.536 7.339 3.922 1.00 0.00 H new ATOM 0 HD12 LEU B 115 10.226 7.396 4.476 1.00 0.00 H new ATOM 0 HD13 LEU B 115 9.430 5.827 4.206 1.00 0.00 H new ATOM 0 HD21 LEU B 115 6.745 6.659 5.417 1.00 0.00 H new ATOM 0 HD22 LEU B 115 7.583 5.108 5.660 1.00 0.00 H new ATOM 0 HD23 LEU B 115 7.099 6.087 7.065 1.00 0.00 H new ATOM 1757 N PRO B 116 9.934 3.564 8.946 1.00 0.00 N ATOM 1758 CA PRO B 116 10.684 2.400 9.414 1.00 0.00 C ATOM 1759 C PRO B 116 11.556 1.766 8.317 1.00 0.00 C ATOM 1760 O PRO B 116 11.495 2.134 7.140 1.00 0.00 O ATOM 1761 CB PRO B 116 9.587 1.418 9.835 1.00 0.00 C ATOM 1762 CG PRO B 116 8.516 1.646 8.769 1.00 0.00 C ATOM 1763 CD PRO B 116 8.577 3.162 8.580 1.00 0.00 C ATOM 0 HA PRO B 116 11.379 2.670 10.209 1.00 0.00 H new ATOM 0 HB2 PRO B 116 9.943 0.388 9.839 1.00 0.00 H new ATOM 0 HB3 PRO B 116 9.214 1.630 10.837 1.00 0.00 H new ATOM 0 HG2 PRO B 116 8.738 1.110 7.846 1.00 0.00 H new ATOM 0 HG3 PRO B 116 7.532 1.315 9.101 1.00 0.00 H new ATOM 0 HD2 PRO B 116 8.355 3.435 7.548 1.00 0.00 H new ATOM 0 HD3 PRO B 116 7.840 3.663 9.208 1.00 0.00 H new ATOM 1771 N GLN B 117 12.303 0.731 8.708 1.00 0.00 N ATOM 1772 CA GLN B 117 13.088 -0.139 7.828 1.00 0.00 C ATOM 1773 C GLN B 117 12.579 -1.578 7.993 1.00 0.00 C ATOM 1774 O GLN B 117 13.277 -2.473 8.479 1.00 0.00 O ATOM 1775 CB GLN B 117 14.597 0.020 8.081 1.00 0.00 C ATOM 1776 CG GLN B 117 15.131 1.287 7.403 1.00 0.00 C ATOM 1777 CD GLN B 117 16.623 1.487 7.656 1.00 0.00 C ATOM 1778 OE1 GLN B 117 17.471 1.194 6.820 1.00 0.00 O ATOM 1779 NE2 GLN B 117 17.009 1.991 8.809 1.00 0.00 N ATOM 0 H GLN B 117 12.381 0.464 9.689 1.00 0.00 H new ATOM 0 HA GLN B 117 12.952 0.148 6.785 1.00 0.00 H new ATOM 0 HB2 GLN B 117 14.788 0.068 9.153 1.00 0.00 H new ATOM 0 HB3 GLN B 117 15.128 -0.853 7.701 1.00 0.00 H new ATOM 0 HG2 GLN B 117 14.950 1.227 6.330 1.00 0.00 H new ATOM 0 HG3 GLN B 117 14.582 2.154 7.771 1.00 0.00 H new ATOM 0 HE21 GLN B 117 16.316 2.240 9.515 1.00 0.00 H new ATOM 0 HE22 GLN B 117 18.001 2.133 8.997 1.00 0.00 H new ATOM 1788 N LEU B 118 11.329 -1.783 7.562 1.00 0.00 N ATOM 1789 CA LEU B 118 10.670 -3.089 7.533 1.00 0.00 C ATOM 1790 C LEU B 118 11.345 -3.981 6.477 1.00 0.00 C ATOM 1791 O LEU B 118 12.102 -3.515 5.619 1.00 0.00 O ATOM 1792 CB LEU B 118 9.171 -2.915 7.211 1.00 0.00 C ATOM 1793 CG LEU B 118 8.336 -2.247 8.318 1.00 0.00 C ATOM 1794 CD1 LEU B 118 6.973 -1.857 7.754 1.00 0.00 C ATOM 1795 CD2 LEU B 118 8.102 -3.163 9.519 1.00 0.00 C ATOM 0 H LEU B 118 10.737 -1.028 7.217 1.00 0.00 H new ATOM 0 HA LEU B 118 10.762 -3.564 8.510 1.00 0.00 H new ATOM 0 HB2 LEU B 118 9.078 -2.323 6.301 1.00 0.00 H new ATOM 0 HB3 LEU B 118 8.745 -3.896 6.999 1.00 0.00 H new ATOM 0 HG LEU B 118 8.899 -1.378 8.657 1.00 0.00 H new ATOM 0 HD11 LEU B 118 6.378 -1.383 8.535 1.00 0.00 H new ATOM 0 HD12 LEU B 118 7.107 -1.160 6.927 1.00 0.00 H new ATOM 0 HD13 LEU B 118 6.458 -2.749 7.397 1.00 0.00 H new ATOM 0 HD21 LEU B 118 7.508 -2.638 10.267 1.00 0.00 H new ATOM 0 HD22 LEU B 118 7.570 -4.058 9.196 1.00 0.00 H new ATOM 0 HD23 LEU B 118 9.061 -3.447 9.952 1.00 0.00 H new ATOM 1807 N THR B 119 11.065 -5.277 6.538 1.00 0.00 N ATOM 1808 CA THR B 119 11.596 -6.286 5.615 1.00 0.00 C ATOM 1809 C THR B 119 10.503 -7.272 5.218 1.00 0.00 C ATOM 1810 O THR B 119 9.449 -7.347 5.858 1.00 0.00 O ATOM 1811 CB THR B 119 12.786 -7.041 6.238 1.00 0.00 C ATOM 1812 OG1 THR B 119 12.375 -7.758 7.388 1.00 0.00 O ATOM 1813 CG2 THR B 119 13.943 -6.112 6.628 1.00 0.00 C ATOM 0 H THR B 119 10.447 -5.671 7.247 1.00 0.00 H new ATOM 0 HA THR B 119 11.950 -5.768 4.723 1.00 0.00 H new ATOM 0 HB THR B 119 13.144 -7.725 5.469 1.00 0.00 H new ATOM 0 HG1 THR B 119 13.143 -8.233 7.769 1.00 0.00 H new ATOM 0 HG21 THR B 119 14.752 -6.700 7.061 1.00 0.00 H new ATOM 0 HG22 THR B 119 14.307 -5.592 5.742 1.00 0.00 H new ATOM 0 HG23 THR B 119 13.593 -5.382 7.359 1.00 0.00 H new ATOM 1821 N SER B 120 10.765 -8.072 4.181 1.00 0.00 N ATOM 1822 CA SER B 120 9.874 -9.148 3.734 1.00 0.00 C ATOM 1823 C SER B 120 9.514 -10.063 4.911 1.00 0.00 C ATOM 1824 O SER B 120 8.333 -10.283 5.184 1.00 0.00 O ATOM 1825 CB SER B 120 10.511 -9.919 2.573 1.00 0.00 C ATOM 1826 OG SER B 120 11.865 -10.242 2.863 1.00 0.00 O ATOM 0 H SER B 120 11.613 -7.990 3.620 1.00 0.00 H new ATOM 0 HA SER B 120 8.944 -8.716 3.363 1.00 0.00 H new ATOM 0 HB2 SER B 120 9.947 -10.833 2.385 1.00 0.00 H new ATOM 0 HB3 SER B 120 10.462 -9.321 1.663 1.00 0.00 H new ATOM 0 HG SER B 120 12.252 -10.735 2.110 1.00 0.00 H new ATOM 1832 N TYR B 121 10.533 -10.519 5.649 1.00 0.00 N ATOM 1833 CA TYR B 121 10.412 -11.316 6.870 1.00 0.00 C ATOM 1834 C TYR B 121 9.457 -10.666 7.887 1.00 0.00 C ATOM 1835 O TYR B 121 8.471 -11.292 8.271 1.00 0.00 O ATOM 1836 CB TYR B 121 11.803 -11.551 7.477 1.00 0.00 C ATOM 1837 CG TYR B 121 11.782 -12.379 8.751 1.00 0.00 C ATOM 1838 CD1 TYR B 121 11.853 -13.784 8.677 1.00 0.00 C ATOM 1839 CD2 TYR B 121 11.664 -11.748 10.007 1.00 0.00 C ATOM 1840 CE1 TYR B 121 11.810 -14.557 9.855 1.00 0.00 C ATOM 1841 CE2 TYR B 121 11.608 -12.517 11.185 1.00 0.00 C ATOM 1842 CZ TYR B 121 11.689 -13.926 11.112 1.00 0.00 C ATOM 1843 OH TYR B 121 11.637 -14.682 12.244 1.00 0.00 O ATOM 0 H TYR B 121 11.504 -10.333 5.399 1.00 0.00 H new ATOM 0 HA TYR B 121 9.976 -12.280 6.608 1.00 0.00 H new ATOM 0 HB2 TYR B 121 12.432 -12.051 6.740 1.00 0.00 H new ATOM 0 HB3 TYR B 121 12.265 -10.587 7.689 1.00 0.00 H new ATOM 0 HD1 TYR B 121 11.941 -14.270 7.716 1.00 0.00 H new ATOM 0 HD2 TYR B 121 11.616 -10.671 10.065 1.00 0.00 H new ATOM 0 HE1 TYR B 121 11.870 -15.634 9.796 1.00 0.00 H new ATOM 0 HE2 TYR B 121 11.503 -12.031 12.144 1.00 0.00 H new ATOM 0 HH TYR B 121 11.555 -14.096 13.025 1.00 0.00 H new ATOM 1853 N ASP B 122 9.723 -9.422 8.312 1.00 0.00 N ATOM 1854 CA ASP B 122 8.879 -8.688 9.270 1.00 0.00 C ATOM 1855 C ASP B 122 7.406 -8.658 8.838 1.00 0.00 C ATOM 1856 O ASP B 122 6.528 -9.025 9.623 1.00 0.00 O ATOM 1857 CB ASP B 122 9.390 -7.251 9.492 1.00 0.00 C ATOM 1858 CG ASP B 122 10.526 -7.123 10.521 1.00 0.00 C ATOM 1859 OD1 ASP B 122 10.644 -7.978 11.431 1.00 0.00 O ATOM 1860 OD2 ASP B 122 11.252 -6.104 10.490 1.00 0.00 O ATOM 0 H ASP B 122 10.536 -8.892 7.999 1.00 0.00 H new ATOM 0 HA ASP B 122 8.945 -9.231 10.213 1.00 0.00 H new ATOM 0 HB2 ASP B 122 9.736 -6.852 8.538 1.00 0.00 H new ATOM 0 HB3 ASP B 122 8.555 -6.629 9.814 1.00 0.00 H new ATOM 1865 N CYS B 123 7.130 -8.235 7.603 1.00 0.00 N ATOM 1866 CA CYS B 123 5.781 -8.159 7.039 1.00 0.00 C ATOM 1867 C CYS B 123 5.071 -9.529 7.025 1.00 0.00 C ATOM 1868 O CYS B 123 3.944 -9.633 7.512 1.00 0.00 O ATOM 1869 CB CYS B 123 5.844 -7.503 5.656 1.00 0.00 C ATOM 1870 SG CYS B 123 6.388 -5.774 5.788 1.00 0.00 S ATOM 0 H CYS B 123 7.854 -7.929 6.953 1.00 0.00 H new ATOM 0 HA CYS B 123 5.165 -7.532 7.684 1.00 0.00 H new ATOM 0 HB2 CYS B 123 6.531 -8.057 5.016 1.00 0.00 H new ATOM 0 HB3 CYS B 123 4.863 -7.545 5.183 1.00 0.00 H new ATOM 0 HG CYS B 123 7.684 -5.733 5.884 1.00 0.00 H new ATOM 1876 N GLU B 124 5.719 -10.581 6.508 1.00 0.00 N ATOM 1877 CA GLU B 124 5.191 -11.958 6.488 1.00 0.00 C ATOM 1878 C GLU B 124 4.825 -12.449 7.900 1.00 0.00 C ATOM 1879 O GLU B 124 3.729 -12.966 8.123 1.00 0.00 O ATOM 1880 CB GLU B 124 6.218 -12.926 5.870 1.00 0.00 C ATOM 1881 CG GLU B 124 6.338 -12.806 4.348 1.00 0.00 C ATOM 1882 CD GLU B 124 7.431 -13.745 3.814 1.00 0.00 C ATOM 1883 OE1 GLU B 124 7.148 -14.950 3.619 1.00 0.00 O ATOM 1884 OE2 GLU B 124 8.561 -13.280 3.526 1.00 0.00 O ATOM 0 H GLU B 124 6.643 -10.501 6.083 1.00 0.00 H new ATOM 0 HA GLU B 124 4.287 -11.942 5.879 1.00 0.00 H new ATOM 0 HB2 GLU B 124 7.194 -12.741 6.318 1.00 0.00 H new ATOM 0 HB3 GLU B 124 5.939 -13.949 6.124 1.00 0.00 H new ATOM 0 HG2 GLU B 124 5.383 -13.050 3.883 1.00 0.00 H new ATOM 0 HG3 GLU B 124 6.571 -11.776 4.077 1.00 0.00 H new ATOM 1891 N VAL B 125 5.747 -12.288 8.854 1.00 0.00 N ATOM 1892 CA VAL B 125 5.620 -12.670 10.270 1.00 0.00 C ATOM 1893 C VAL B 125 4.458 -11.959 10.966 1.00 0.00 C ATOM 1894 O VAL B 125 3.637 -12.599 11.626 1.00 0.00 O ATOM 1895 CB VAL B 125 6.960 -12.392 10.989 1.00 0.00 C ATOM 1896 CG1 VAL B 125 6.872 -12.301 12.519 1.00 0.00 C ATOM 1897 CG2 VAL B 125 7.967 -13.490 10.631 1.00 0.00 C ATOM 0 H VAL B 125 6.653 -11.865 8.651 1.00 0.00 H new ATOM 0 HA VAL B 125 5.392 -13.735 10.319 1.00 0.00 H new ATOM 0 HB VAL B 125 7.274 -11.408 10.639 1.00 0.00 H new ATOM 0 HG11 VAL B 125 7.862 -12.104 12.929 1.00 0.00 H new ATOM 0 HG12 VAL B 125 6.196 -11.492 12.797 1.00 0.00 H new ATOM 0 HG13 VAL B 125 6.495 -13.242 12.918 1.00 0.00 H new ATOM 0 HG21 VAL B 125 8.913 -13.296 11.137 1.00 0.00 H new ATOM 0 HG22 VAL B 125 7.578 -14.458 10.948 1.00 0.00 H new ATOM 0 HG23 VAL B 125 8.128 -13.499 9.553 1.00 0.00 H new ATOM 1907 N ASN B 126 4.407 -10.630 10.869 1.00 0.00 N ATOM 1908 CA ASN B 126 3.420 -9.793 11.551 1.00 0.00 C ATOM 1909 C ASN B 126 2.009 -9.866 10.950 1.00 0.00 C ATOM 1910 O ASN B 126 1.041 -9.829 11.715 1.00 0.00 O ATOM 1911 CB ASN B 126 3.956 -8.357 11.635 1.00 0.00 C ATOM 1912 CG ASN B 126 5.029 -8.227 12.702 1.00 0.00 C ATOM 1913 OD1 ASN B 126 4.759 -7.883 13.838 1.00 0.00 O ATOM 1914 ND2 ASN B 126 6.264 -8.552 12.404 1.00 0.00 N ATOM 0 H ASN B 126 5.065 -10.094 10.302 1.00 0.00 H new ATOM 0 HA ASN B 126 3.288 -10.189 12.558 1.00 0.00 H new ATOM 0 HB2 ASN B 126 4.365 -8.063 10.668 1.00 0.00 H new ATOM 0 HB3 ASN B 126 3.136 -7.673 11.856 1.00 0.00 H new ATOM 0 HD21 ASN B 126 6.988 -8.515 13.121 1.00 0.00 H new ATOM 0 HD22 ASN B 126 6.500 -8.842 11.455 1.00 0.00 H new ATOM 1921 N ALA B 127 1.871 -9.967 9.625 1.00 0.00 N ATOM 1922 CA ALA B 127 0.577 -10.039 8.939 1.00 0.00 C ATOM 1923 C ALA B 127 0.535 -11.161 7.867 1.00 0.00 C ATOM 1924 O ALA B 127 0.576 -10.866 6.665 1.00 0.00 O ATOM 1925 CB ALA B 127 0.265 -8.640 8.383 1.00 0.00 C ATOM 0 H ALA B 127 2.667 -10.002 8.989 1.00 0.00 H new ATOM 0 HA ALA B 127 -0.207 -10.323 9.641 1.00 0.00 H new ATOM 0 HB1 ALA B 127 -0.694 -8.660 7.865 1.00 0.00 H new ATOM 0 HB2 ALA B 127 0.220 -7.924 9.204 1.00 0.00 H new ATOM 0 HB3 ALA B 127 1.048 -8.343 7.685 1.00 0.00 H new ATOM 1931 N PRO B 128 0.427 -12.446 8.271 1.00 0.00 N ATOM 1932 CA PRO B 128 0.356 -13.596 7.360 1.00 0.00 C ATOM 1933 C PRO B 128 -0.720 -13.448 6.272 1.00 0.00 C ATOM 1934 O PRO B 128 -1.887 -13.170 6.563 1.00 0.00 O ATOM 1935 CB PRO B 128 0.095 -14.820 8.249 1.00 0.00 C ATOM 1936 CG PRO B 128 0.674 -14.407 9.598 1.00 0.00 C ATOM 1937 CD PRO B 128 0.372 -12.911 9.652 1.00 0.00 C ATOM 0 HA PRO B 128 1.288 -13.689 6.802 1.00 0.00 H new ATOM 0 HB2 PRO B 128 -0.969 -15.045 8.320 1.00 0.00 H new ATOM 0 HB3 PRO B 128 0.584 -15.712 7.858 1.00 0.00 H new ATOM 0 HG2 PRO B 128 0.204 -14.945 10.422 1.00 0.00 H new ATOM 0 HG3 PRO B 128 1.744 -14.606 9.657 1.00 0.00 H new ATOM 0 HD2 PRO B 128 -0.609 -12.725 10.089 1.00 0.00 H new ATOM 0 HD3 PRO B 128 1.100 -12.387 10.271 1.00 0.00 H new ATOM 1945 N ILE B 129 -0.321 -13.617 5.010 1.00 0.00 N ATOM 1946 CA ILE B 129 -1.179 -13.483 3.821 1.00 0.00 C ATOM 1947 C ILE B 129 -2.157 -14.668 3.734 1.00 0.00 C ATOM 1948 O ILE B 129 -1.751 -15.832 3.820 1.00 0.00 O ATOM 1949 CB ILE B 129 -0.311 -13.383 2.544 1.00 0.00 C ATOM 1950 CG1 ILE B 129 0.719 -12.227 2.628 1.00 0.00 C ATOM 1951 CG2 ILE B 129 -1.185 -13.191 1.286 1.00 0.00 C ATOM 1952 CD1 ILE B 129 1.954 -12.505 1.770 1.00 0.00 C ATOM 0 H ILE B 129 0.641 -13.860 4.775 1.00 0.00 H new ATOM 0 HA ILE B 129 -1.764 -12.567 3.906 1.00 0.00 H new ATOM 0 HB ILE B 129 0.231 -14.326 2.468 1.00 0.00 H new ATOM 0 HG12 ILE B 129 0.251 -11.298 2.302 1.00 0.00 H new ATOM 0 HG13 ILE B 129 1.021 -12.084 3.665 1.00 0.00 H new ATOM 0 HG21 ILE B 129 -0.546 -13.124 0.406 1.00 0.00 H new ATOM 0 HG22 ILE B 129 -1.861 -14.039 1.180 1.00 0.00 H new ATOM 0 HG23 ILE B 129 -1.766 -12.274 1.383 1.00 0.00 H new ATOM 0 HD11 ILE B 129 2.652 -11.672 1.856 1.00 0.00 H new ATOM 0 HD12 ILE B 129 2.437 -13.420 2.113 1.00 0.00 H new ATOM 0 HD13 ILE B 129 1.655 -12.622 0.728 1.00 0.00 H new ATOM 1964 N GLN B 130 -3.447 -14.373 3.558 1.00 0.00 N ATOM 1965 CA GLN B 130 -4.523 -15.363 3.421 1.00 0.00 C ATOM 1966 C GLN B 130 -4.403 -16.166 2.102 1.00 0.00 C ATOM 1967 O GLN B 130 -3.771 -15.723 1.140 1.00 0.00 O ATOM 1968 CB GLN B 130 -5.860 -14.603 3.536 1.00 0.00 C ATOM 1969 CG GLN B 130 -7.134 -15.462 3.581 1.00 0.00 C ATOM 1970 CD GLN B 130 -7.100 -16.519 4.682 1.00 0.00 C ATOM 1971 OE1 GLN B 130 -6.697 -17.656 4.467 1.00 0.00 O ATOM 1972 NE2 GLN B 130 -7.492 -16.195 5.897 1.00 0.00 N ATOM 0 H GLN B 130 -3.784 -13.412 3.505 1.00 0.00 H new ATOM 0 HA GLN B 130 -4.457 -16.112 4.210 1.00 0.00 H new ATOM 0 HB2 GLN B 130 -5.829 -13.991 4.438 1.00 0.00 H new ATOM 0 HB3 GLN B 130 -5.938 -13.920 2.690 1.00 0.00 H new ATOM 0 HG2 GLN B 130 -7.997 -14.814 3.733 1.00 0.00 H new ATOM 0 HG3 GLN B 130 -7.269 -15.953 2.617 1.00 0.00 H new ATOM 0 HE21 GLN B 130 -7.830 -15.252 6.089 1.00 0.00 H new ATOM 0 HE22 GLN B 130 -7.458 -16.887 6.645 1.00 0.00 H new ATOM 2037 N LEU B 135 4.106 -13.023 -2.645 1.00 0.00 N ATOM 2038 CA LEU B 135 4.480 -11.769 -3.309 1.00 0.00 C ATOM 2039 C LEU B 135 3.489 -11.430 -4.441 1.00 0.00 C ATOM 2040 O LEU B 135 3.107 -12.274 -5.260 1.00 0.00 O ATOM 2041 CB LEU B 135 5.927 -11.781 -3.860 1.00 0.00 C ATOM 2042 CG LEU B 135 7.120 -11.680 -2.881 1.00 0.00 C ATOM 2043 CD1 LEU B 135 8.332 -11.105 -3.627 1.00 0.00 C ATOM 2044 CD2 LEU B 135 6.873 -10.787 -1.668 1.00 0.00 C ATOM 0 HA LEU B 135 4.435 -10.996 -2.542 1.00 0.00 H new ATOM 0 HB2 LEU B 135 6.051 -12.702 -4.430 1.00 0.00 H new ATOM 0 HB3 LEU B 135 6.014 -10.955 -4.566 1.00 0.00 H new ATOM 0 HG LEU B 135 7.283 -12.693 -2.514 1.00 0.00 H new ATOM 0 HD11 LEU B 135 9.178 -11.030 -2.944 1.00 0.00 H new ATOM 0 HD12 LEU B 135 8.593 -11.761 -4.457 1.00 0.00 H new ATOM 0 HD13 LEU B 135 8.087 -10.115 -4.010 1.00 0.00 H new ATOM 0 HD21 LEU B 135 7.762 -10.776 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU B 135 6.652 -9.773 -2.002 1.00 0.00 H new ATOM 0 HD23 LEU B 135 6.028 -11.174 -1.098 1.00 0.00 H new ATOM 2056 N LEU B 136 3.104 -10.159 -4.476 1.00 0.00 N ATOM 2057 CA LEU B 136 2.226 -9.467 -5.415 1.00 0.00 C ATOM 2058 C LEU B 136 3.077 -8.323 -5.997 1.00 0.00 C ATOM 2059 O LEU B 136 3.520 -7.447 -5.251 1.00 0.00 O ATOM 2060 CB LEU B 136 1.000 -8.997 -4.601 1.00 0.00 C ATOM 2061 CG LEU B 136 -0.243 -8.484 -5.344 1.00 0.00 C ATOM 2062 CD1 LEU B 136 0.102 -7.446 -6.396 1.00 0.00 C ATOM 2063 CD2 LEU B 136 -1.038 -9.599 -6.016 1.00 0.00 C ATOM 0 H LEU B 136 3.440 -9.512 -3.762 1.00 0.00 H new ATOM 0 HA LEU B 136 1.849 -10.066 -6.244 1.00 0.00 H new ATOM 0 HB2 LEU B 136 0.685 -9.830 -3.972 1.00 0.00 H new ATOM 0 HB3 LEU B 136 1.334 -8.202 -3.934 1.00 0.00 H new ATOM 0 HG LEU B 136 -0.858 -8.029 -4.568 1.00 0.00 H new ATOM 0 HD11 LEU B 136 -0.810 -7.115 -6.893 1.00 0.00 H new ATOM 0 HD12 LEU B 136 0.586 -6.593 -5.921 1.00 0.00 H new ATOM 0 HD13 LEU B 136 0.777 -7.884 -7.131 1.00 0.00 H new ATOM 0 HD21 LEU B 136 -1.903 -9.174 -6.524 1.00 0.00 H new ATOM 0 HD22 LEU B 136 -0.406 -10.110 -6.742 1.00 0.00 H new ATOM 0 HD23 LEU B 136 -1.374 -10.312 -5.263 1.00 0.00 H new ATOM 2075 N GLN B 137 3.373 -8.358 -7.300 1.00 0.00 N ATOM 2076 CA GLN B 137 4.270 -7.394 -7.962 1.00 0.00 C ATOM 2077 C GLN B 137 3.912 -7.101 -9.433 1.00 0.00 C ATOM 2078 O GLN B 137 3.107 -7.801 -10.050 1.00 0.00 O ATOM 2079 CB GLN B 137 5.721 -7.870 -7.791 1.00 0.00 C ATOM 2080 CG GLN B 137 6.039 -9.203 -8.486 1.00 0.00 C ATOM 2081 CD GLN B 137 7.031 -10.019 -7.663 1.00 0.00 C ATOM 2082 OE1 GLN B 137 8.104 -9.558 -7.293 1.00 0.00 O ATOM 2083 NE2 GLN B 137 6.690 -11.239 -7.312 1.00 0.00 N ATOM 0 H GLN B 137 2.995 -9.062 -7.935 1.00 0.00 H new ATOM 0 HA GLN B 137 4.141 -6.429 -7.471 1.00 0.00 H new ATOM 0 HB2 GLN B 137 6.390 -7.103 -8.180 1.00 0.00 H new ATOM 0 HB3 GLN B 137 5.935 -7.969 -6.727 1.00 0.00 H new ATOM 0 HG2 GLN B 137 5.121 -9.773 -8.627 1.00 0.00 H new ATOM 0 HG3 GLN B 137 6.451 -9.013 -9.477 1.00 0.00 H new ATOM 0 HE21 GLN B 137 5.798 -11.627 -7.618 1.00 0.00 H new ATOM 0 HE22 GLN B 137 7.318 -11.798 -6.734 1.00 0.00 H new ATOM 2092 N GLY B 138 4.509 -6.046 -9.996 1.00 0.00 N ATOM 2093 CA GLY B 138 4.277 -5.579 -11.370 1.00 0.00 C ATOM 2094 C GLY B 138 2.895 -4.954 -11.562 1.00 0.00 C ATOM 2095 O GLY B 138 2.407 -4.248 -10.682 1.00 0.00 O ATOM 0 H GLY B 138 5.189 -5.474 -9.494 1.00 0.00 H new ATOM 0 HA2 GLY B 138 5.041 -4.847 -11.633 1.00 0.00 H new ATOM 0 HA3 GLY B 138 4.389 -6.418 -12.057 1.00 0.00 H new ATOM 2099 N GLU B 139 2.255 -5.182 -12.711 1.00 0.00 N ATOM 2100 CA GLU B 139 0.929 -4.621 -13.034 1.00 0.00 C ATOM 2101 C GLU B 139 -0.128 -4.930 -11.956 1.00 0.00 C ATOM 2102 O GLU B 139 -0.973 -4.088 -11.648 1.00 0.00 O ATOM 2103 CB GLU B 139 0.485 -5.121 -14.419 1.00 0.00 C ATOM 2104 CG GLU B 139 -0.732 -4.354 -14.955 1.00 0.00 C ATOM 2105 CD GLU B 139 -1.174 -4.900 -16.323 1.00 0.00 C ATOM 2106 OE1 GLU B 139 -0.571 -4.531 -17.362 1.00 0.00 O ATOM 2107 OE2 GLU B 139 -2.147 -5.690 -16.363 1.00 0.00 O ATOM 0 H GLU B 139 2.641 -5.765 -13.454 1.00 0.00 H new ATOM 0 HA GLU B 139 1.020 -3.535 -13.055 1.00 0.00 H new ATOM 0 HB2 GLU B 139 1.313 -5.020 -15.121 1.00 0.00 H new ATOM 0 HB3 GLU B 139 0.245 -6.183 -14.359 1.00 0.00 H new ATOM 0 HG2 GLU B 139 -1.556 -4.432 -14.246 1.00 0.00 H new ATOM 0 HG3 GLU B 139 -0.488 -3.295 -15.044 1.00 0.00 H new ATOM 2114 N GLU B 140 -0.051 -6.121 -11.348 1.00 0.00 N ATOM 2115 CA GLU B 140 -0.923 -6.566 -10.252 1.00 0.00 C ATOM 2116 C GLU B 140 -0.990 -5.544 -9.105 1.00 0.00 C ATOM 2117 O GLU B 140 -2.065 -5.343 -8.536 1.00 0.00 O ATOM 2118 CB GLU B 140 -0.429 -7.891 -9.657 1.00 0.00 C ATOM 2119 CG GLU B 140 -0.323 -9.077 -10.606 1.00 0.00 C ATOM 2120 CD GLU B 140 -0.146 -10.393 -9.823 1.00 0.00 C ATOM 2121 OE1 GLU B 140 0.901 -10.602 -9.163 1.00 0.00 O ATOM 2122 OE2 GLU B 140 -1.069 -11.242 -9.837 1.00 0.00 O ATOM 0 H GLU B 140 0.640 -6.823 -11.613 1.00 0.00 H new ATOM 0 HA GLU B 140 -1.913 -6.684 -10.693 1.00 0.00 H new ATOM 0 HB2 GLU B 140 0.554 -7.720 -9.218 1.00 0.00 H new ATOM 0 HB3 GLU B 140 -1.099 -8.167 -8.843 1.00 0.00 H new ATOM 0 HG2 GLU B 140 -1.219 -9.135 -11.224 1.00 0.00 H new ATOM 0 HG3 GLU B 140 0.521 -8.934 -11.281 1.00 0.00 H new ATOM 2129 N LEU B 141 0.139 -4.894 -8.776 1.00 0.00 N ATOM 2130 CA LEU B 141 0.230 -3.859 -7.742 1.00 0.00 C ATOM 2131 C LEU B 141 -0.788 -2.764 -8.037 1.00 0.00 C ATOM 2132 O LEU B 141 -1.706 -2.546 -7.259 1.00 0.00 O ATOM 2133 CB LEU B 141 1.630 -3.215 -7.696 1.00 0.00 C ATOM 2134 CG LEU B 141 2.773 -4.129 -7.249 1.00 0.00 C ATOM 2135 CD1 LEU B 141 4.092 -3.544 -7.753 1.00 0.00 C ATOM 2136 CD2 LEU B 141 2.852 -4.257 -5.725 1.00 0.00 C ATOM 0 H LEU B 141 1.031 -5.080 -9.234 1.00 0.00 H new ATOM 0 HA LEU B 141 0.033 -4.335 -6.781 1.00 0.00 H new ATOM 0 HB2 LEU B 141 1.865 -2.831 -8.689 1.00 0.00 H new ATOM 0 HB3 LEU B 141 1.592 -2.358 -7.024 1.00 0.00 H new ATOM 0 HG LEU B 141 2.588 -5.121 -7.662 1.00 0.00 H new ATOM 0 HD11 LEU B 141 4.917 -4.185 -7.442 1.00 0.00 H new ATOM 0 HD12 LEU B 141 4.071 -3.483 -8.841 1.00 0.00 H new ATOM 0 HD13 LEU B 141 4.231 -2.547 -7.336 1.00 0.00 H new ATOM 0 HD21 LEU B 141 3.678 -4.915 -5.458 1.00 0.00 H new ATOM 0 HD22 LEU B 141 3.015 -3.273 -5.285 1.00 0.00 H new ATOM 0 HD23 LEU B 141 1.919 -4.674 -5.346 1.00 0.00 H new ATOM 2148 N LEU B 142 -0.619 -2.079 -9.170 1.00 0.00 N ATOM 2149 CA LEU B 142 -1.452 -0.958 -9.595 1.00 0.00 C ATOM 2150 C LEU B 142 -2.940 -1.338 -9.616 1.00 0.00 C ATOM 2151 O LEU B 142 -3.763 -0.575 -9.110 1.00 0.00 O ATOM 2152 CB LEU B 142 -0.949 -0.375 -10.926 1.00 0.00 C ATOM 2153 CG LEU B 142 0.573 -0.110 -11.027 1.00 0.00 C ATOM 2154 CD1 LEU B 142 0.823 0.872 -12.170 1.00 0.00 C ATOM 2155 CD2 LEU B 142 1.225 0.486 -9.773 1.00 0.00 C ATOM 0 H LEU B 142 0.123 -2.297 -9.835 1.00 0.00 H new ATOM 0 HA LEU B 142 -1.363 -0.160 -8.858 1.00 0.00 H new ATOM 0 HB2 LEU B 142 -1.231 -1.058 -11.727 1.00 0.00 H new ATOM 0 HB3 LEU B 142 -1.473 0.564 -11.108 1.00 0.00 H new ATOM 0 HG LEU B 142 1.023 -1.091 -11.180 1.00 0.00 H new ATOM 0 HD11 LEU B 142 1.892 1.069 -12.254 1.00 0.00 H new ATOM 0 HD12 LEU B 142 0.459 0.444 -13.104 1.00 0.00 H new ATOM 0 HD13 LEU B 142 0.297 1.805 -11.969 1.00 0.00 H new ATOM 0 HD21 LEU B 142 2.290 0.632 -9.951 1.00 0.00 H new ATOM 0 HD22 LEU B 142 0.761 1.445 -9.543 1.00 0.00 H new ATOM 0 HD23 LEU B 142 1.087 -0.195 -8.933 1.00 0.00 H new ATOM 2167 N ARG B 143 -3.282 -2.530 -10.131 1.00 0.00 N ATOM 2168 CA ARG B 143 -4.652 -3.082 -10.114 1.00 0.00 C ATOM 2169 C ARG B 143 -5.199 -3.150 -8.679 1.00 0.00 C ATOM 2170 O ARG B 143 -6.304 -2.671 -8.418 1.00 0.00 O ATOM 2171 CB ARG B 143 -4.693 -4.464 -10.794 1.00 0.00 C ATOM 2172 CG ARG B 143 -4.424 -4.388 -12.305 1.00 0.00 C ATOM 2173 CD ARG B 143 -4.485 -5.783 -12.943 1.00 0.00 C ATOM 2174 NE ARG B 143 -4.330 -5.718 -14.410 1.00 0.00 N ATOM 2175 CZ ARG B 143 -5.262 -5.560 -15.331 1.00 0.00 C ATOM 2176 NH1 ARG B 143 -6.527 -5.419 -15.046 1.00 0.00 N ATOM 2177 NH2 ARG B 143 -4.912 -5.541 -16.581 1.00 0.00 N ATOM 0 H ARG B 143 -2.606 -3.149 -10.578 1.00 0.00 H new ATOM 0 HA ARG B 143 -5.296 -2.411 -10.682 1.00 0.00 H new ATOM 0 HB2 ARG B 143 -3.953 -5.115 -10.329 1.00 0.00 H new ATOM 0 HB3 ARG B 143 -5.669 -4.919 -10.625 1.00 0.00 H new ATOM 0 HG2 ARG B 143 -5.159 -3.735 -12.777 1.00 0.00 H new ATOM 0 HG3 ARG B 143 -3.444 -3.945 -12.482 1.00 0.00 H new ATOM 0 HD2 ARG B 143 -3.700 -6.411 -12.521 1.00 0.00 H new ATOM 0 HD3 ARG B 143 -5.437 -6.254 -12.698 1.00 0.00 H new ATOM 0 HE ARG B 143 -3.375 -5.807 -14.758 1.00 0.00 H new ATOM 0 HH11 ARG B 143 -6.835 -5.428 -14.074 1.00 0.00 H new ATOM 0 HH12 ARG B 143 -7.208 -5.300 -15.796 1.00 0.00 H new ATOM 0 HH21 ARG B 143 -3.930 -5.647 -16.837 1.00 0.00 H new ATOM 0 HH22 ARG B 143 -5.619 -5.420 -17.307 1.00 0.00 H new ATOM 2191 N ALA B 144 -4.427 -3.716 -7.749 1.00 0.00 N ATOM 2192 CA ALA B 144 -4.761 -3.808 -6.329 1.00 0.00 C ATOM 2193 C ALA B 144 -4.895 -2.416 -5.672 1.00 0.00 C ATOM 2194 O ALA B 144 -5.890 -2.159 -5.000 1.00 0.00 O ATOM 2195 CB ALA B 144 -3.726 -4.691 -5.621 1.00 0.00 C ATOM 0 H ALA B 144 -3.524 -4.136 -7.972 1.00 0.00 H new ATOM 0 HA ALA B 144 -5.741 -4.274 -6.227 1.00 0.00 H new ATOM 0 HB1 ALA B 144 -3.972 -4.762 -4.561 1.00 0.00 H new ATOM 0 HB2 ALA B 144 -3.735 -5.687 -6.063 1.00 0.00 H new ATOM 0 HB3 ALA B 144 -2.735 -4.252 -5.735 1.00 0.00 H new ATOM 2201 N LEU B 145 -3.936 -1.499 -5.864 1.00 0.00 N ATOM 2202 CA LEU B 145 -3.989 -0.131 -5.321 1.00 0.00 C ATOM 2203 C LEU B 145 -5.232 0.634 -5.817 1.00 0.00 C ATOM 2204 O LEU B 145 -5.876 1.353 -5.055 1.00 0.00 O ATOM 2205 CB LEU B 145 -2.717 0.674 -5.664 1.00 0.00 C ATOM 2206 CG LEU B 145 -1.357 0.085 -5.243 1.00 0.00 C ATOM 2207 CD1 LEU B 145 -0.233 1.048 -5.577 1.00 0.00 C ATOM 2208 CD2 LEU B 145 -1.233 -0.243 -3.764 1.00 0.00 C ATOM 0 H LEU B 145 -3.092 -1.687 -6.406 1.00 0.00 H new ATOM 0 HA LEU B 145 -4.053 -0.236 -4.238 1.00 0.00 H new ATOM 0 HB2 LEU B 145 -2.697 0.824 -6.743 1.00 0.00 H new ATOM 0 HB3 LEU B 145 -2.811 1.659 -5.207 1.00 0.00 H new ATOM 0 HG LEU B 145 -1.287 -0.848 -5.802 1.00 0.00 H new ATOM 0 HD11 LEU B 145 0.720 0.615 -5.272 1.00 0.00 H new ATOM 0 HD12 LEU B 145 -0.220 1.234 -6.651 1.00 0.00 H new ATOM 0 HD13 LEU B 145 -0.390 1.988 -5.048 1.00 0.00 H new ATOM 0 HD21 LEU B 145 -0.243 -0.652 -3.564 1.00 0.00 H new ATOM 0 HD22 LEU B 145 -1.377 0.664 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU B 145 -1.991 -0.977 -3.489 1.00 0.00 H new ATOM 2220 N ASP B 146 -5.571 0.502 -7.101 1.00 0.00 N ATOM 2221 CA ASP B 146 -6.718 1.152 -7.743 1.00 0.00 C ATOM 2222 C ASP B 146 -8.086 0.708 -7.188 1.00 0.00 C ATOM 2223 O ASP B 146 -9.038 1.489 -7.233 1.00 0.00 O ATOM 2224 CB ASP B 146 -6.650 0.914 -9.258 1.00 0.00 C ATOM 2225 CG ASP B 146 -7.664 1.773 -10.030 1.00 0.00 C ATOM 2226 OD1 ASP B 146 -7.475 3.012 -10.080 1.00 0.00 O ATOM 2227 OD2 ASP B 146 -8.618 1.213 -10.622 1.00 0.00 O ATOM 0 H ASP B 146 -5.037 -0.080 -7.746 1.00 0.00 H new ATOM 0 HA ASP B 146 -6.645 2.216 -7.516 1.00 0.00 H new ATOM 0 HB2 ASP B 146 -5.644 1.136 -9.614 1.00 0.00 H new ATOM 0 HB3 ASP B 146 -6.836 -0.139 -9.467 1.00 0.00 H new ATOM 2232 N GLN B 147 -8.205 -0.521 -6.662 1.00 0.00 N ATOM 2233 CA GLN B 147 -9.462 -1.074 -6.128 1.00 0.00 C ATOM 2234 C GLN B 147 -10.067 -0.277 -4.950 1.00 0.00 C ATOM 2235 O GLN B 147 -11.233 -0.487 -4.609 1.00 0.00 O ATOM 2236 CB GLN B 147 -9.309 -2.580 -5.822 1.00 0.00 C ATOM 2237 CG GLN B 147 -8.838 -2.920 -4.395 1.00 0.00 C ATOM 2238 CD GLN B 147 -8.178 -4.298 -4.271 1.00 0.00 C ATOM 2239 OE1 GLN B 147 -8.247 -5.162 -5.140 1.00 0.00 O ATOM 2240 NE2 GLN B 147 -7.508 -4.567 -3.172 1.00 0.00 N ATOM 0 H GLN B 147 -7.420 -1.169 -6.594 1.00 0.00 H new ATOM 0 HA GLN B 147 -10.204 -0.963 -6.919 1.00 0.00 H new ATOM 0 HB2 GLN B 147 -10.268 -3.068 -5.996 1.00 0.00 H new ATOM 0 HB3 GLN B 147 -8.601 -3.007 -6.532 1.00 0.00 H new ATOM 0 HG2 GLN B 147 -8.131 -2.158 -4.065 1.00 0.00 H new ATOM 0 HG3 GLN B 147 -9.693 -2.875 -3.720 1.00 0.00 H new ATOM 0 HE21 GLN B 147 -7.436 -3.866 -2.434 1.00 0.00 H new ATOM 0 HE22 GLN B 147 -7.061 -5.476 -3.057 1.00 0.00 H new ATOM 2249 N VAL B 148 -9.306 0.643 -4.336 1.00 0.00 N ATOM 2250 CA VAL B 148 -9.769 1.538 -3.260 1.00 0.00 C ATOM 2251 C VAL B 148 -10.870 2.473 -3.789 1.00 0.00 C ATOM 2252 O VAL B 148 -11.990 2.486 -3.279 1.00 0.00 O ATOM 2253 CB VAL B 148 -8.618 2.390 -2.677 1.00 0.00 C ATOM 2254 CG1 VAL B 148 -9.115 3.260 -1.517 1.00 0.00 C ATOM 2255 CG2 VAL B 148 -7.442 1.575 -2.136 1.00 0.00 C ATOM 0 H VAL B 148 -8.326 0.790 -4.579 1.00 0.00 H new ATOM 0 HA VAL B 148 -10.161 0.907 -2.463 1.00 0.00 H new ATOM 0 HB VAL B 148 -8.272 2.985 -3.522 1.00 0.00 H new ATOM 0 HG11 VAL B 148 -8.287 3.850 -1.124 1.00 0.00 H new ATOM 0 HG12 VAL B 148 -9.899 3.928 -1.873 1.00 0.00 H new ATOM 0 HG13 VAL B 148 -9.513 2.622 -0.728 1.00 0.00 H new ATOM 0 HG21 VAL B 148 -6.680 2.250 -1.746 1.00 0.00 H new ATOM 0 HG22 VAL B 148 -7.790 0.921 -1.337 1.00 0.00 H new ATOM 0 HG23 VAL B 148 -7.017 0.973 -2.939 1.00 0.00 H new ATOM 2265 N ASN B 149 -10.516 3.267 -4.812 1.00 0.00 N ATOM 2266 CA ASN B 149 -11.319 4.296 -5.488 1.00 0.00 C ATOM 2267 C ASN B 149 -12.217 5.134 -4.550 1.00 0.00 C ATOM 2268 O ASN B 149 -11.685 5.631 -3.533 1.00 0.00 O ATOM 2269 CB ASN B 149 -12.011 3.675 -6.727 1.00 0.00 C ATOM 2270 CG ASN B 149 -13.053 2.585 -6.475 1.00 0.00 C ATOM 2271 OD1 ASN B 149 -12.943 1.463 -6.952 1.00 0.00 O ATOM 2272 ND2 ASN B 149 -14.113 2.897 -5.772 1.00 0.00 N ATOM 2273 OXT ASN B 149 -13.398 5.401 -4.863 1.00 0.00 O ATOM 0 H ASN B 149 -9.584 3.199 -5.220 1.00 0.00 H new ATOM 0 HA ASN B 149 -10.650 5.072 -5.859 1.00 0.00 H new ATOM 0 HB2 ASN B 149 -12.492 4.479 -7.283 1.00 0.00 H new ATOM 0 HB3 ASN B 149 -11.237 3.259 -7.373 1.00 0.00 H new ATOM 0 HD21 ASN B 149 -14.847 2.205 -5.622 1.00 0.00 H new ATOM 0 HD22 ASN B 149 -14.204 3.832 -5.375 1.00 0.00 H new