USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 817 hydrogens (4 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 NoAdj-H: A 10 SEP H2 : A 10 SEP N : A 9 LEU C :(H bumps) USER MOD Set 1.1: A 28 SER OG : rot -35:sc= 0.795 USER MOD Set 1.2: A 68 THR OG1 : rot -6:sc= 0.4 USER MOD Set 2.1: A 62 ASN : amide:sc= -12.4! C(o=-12!,f=-6.1!) USER MOD Set 2.2: A 81 SER OG : rot -37:sc= 0.867 USER MOD Set 3.1: A 24 LYS NZ :NH3+ -159:sc= 1.1 (180deg=0.708) USER MOD Set 3.2: A 25 ASN : amide:sc= 0.176 X(o=1.3,f=0.95) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -1.81 X(o=-1.8,f=-2) USER MOD Single : A 6 GLN : amide:sc= -0.556 K(o=-0.56,f=-6.9!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 MET CE :methyl -168:sc= -0.436 (180deg=-0.695) USER MOD Single : A -4 MET N :NH3+ 170:sc= 1.26 (180deg=0.94) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0175 USER MOD Single : A 12 SER OG : rot 51:sc= 0.111 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc=-0.00199 X(o=-0.002,f=-0.002) USER MOD Single : A 27 THR OG1 : rot -129:sc= -1.24! USER MOD Single : A 32 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00446) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 110:sc=-0.00184 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00935) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.397 X(o=-0.4,f=-0.89) USER MOD Single : A 46 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0182) USER MOD Single : A 47 ASN : amide:sc= 1.1 K(o=1.1,f=-0.035) USER MOD Single : A 50 ASN : amide:sc= -1.04 K(o=-1,f=-6.3!) USER MOD Single : A 56 LYS NZ :NH3+ 163:sc=-0.00661 (180deg=-0.0913) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 64 HIS : no HE2:sc=-0.00179 K(o=-0.0018,f=-7!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.17) USER MOD Single : A 74 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.3!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.0156 K(o=-0.016,f=-0.99) USER MOD Single : A 94 ASN : amide:sc= -2.46! C(o=-2.5!,f=-4.4!) USER MOD Single : A 96 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.014) USER MOD Single : A 97 THR OG1 : rot -45:sc= 0.00274 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -4 -13.189 14.475 -5.697 1.00 12.65 N ATOM 2 CA MET A -4 -13.685 15.461 -4.712 1.00 12.53 C ATOM 3 C MET A -4 -12.946 16.781 -4.873 1.00 12.44 C ATOM 4 O MET A -4 -11.873 16.834 -5.475 1.00 12.69 O ATOM 5 CB MET A -4 -13.499 14.945 -3.280 1.00 12.61 C ATOM 6 CG MET A -4 -12.043 14.821 -2.859 1.00 12.98 C ATOM 7 SD MET A -4 -11.848 14.330 -1.133 1.00 13.01 S ATOM 8 CE MET A -4 -12.575 15.733 -0.293 1.00 13.01 C ATOM 0 H1 MET A -4 -13.574 13.535 -5.472 1.00 12.65 H new ATOM 0 H2 MET A -4 -13.494 14.754 -6.651 1.00 12.65 H new ATOM 0 H3 MET A -4 -12.150 14.441 -5.662 1.00 12.65 H new ATOM 0 HA MET A -4 -14.749 15.614 -4.895 1.00 12.53 H new ATOM 0 HB2 MET A -4 -14.011 15.617 -2.592 1.00 12.61 H new ATOM 0 HB3 MET A -4 -13.978 13.970 -3.189 1.00 12.61 H new ATOM 0 HG2 MET A -4 -11.547 14.090 -3.497 1.00 12.98 H new ATOM 0 HG3 MET A -4 -11.542 15.776 -3.018 1.00 12.98 H new ATOM 0 HE1 MET A -4 -12.341 15.681 0.770 1.00 13.01 H new ATOM 0 HE2 MET A -4 -12.171 16.656 -0.709 1.00 13.01 H new ATOM 0 HE3 MET A -4 -13.656 15.718 -0.428 1.00 13.01 H new ATOM 20 N ARG A -3 -13.524 17.838 -4.330 1.00 12.29 N ATOM 21 CA ARG A -3 -12.925 19.158 -4.392 1.00 12.43 C ATOM 22 C ARG A -3 -13.005 19.841 -3.032 1.00 12.49 C ATOM 23 O ARG A -3 -12.073 20.526 -2.615 1.00 13.19 O ATOM 24 CB ARG A -3 -13.625 19.998 -5.463 1.00 12.66 C ATOM 25 CG ARG A -3 -13.095 21.416 -5.590 1.00 13.08 C ATOM 26 CD ARG A -3 -13.706 22.122 -6.788 1.00 13.33 C ATOM 27 NE ARG A -3 -13.391 23.548 -6.817 1.00 13.68 N ATOM 28 CZ ARG A -3 -13.089 24.223 -7.926 1.00 13.98 C ATOM 29 NH1 ARG A -3 -12.938 23.583 -9.079 1.00 13.97 N ATOM 30 NH2 ARG A -3 -12.909 25.534 -7.869 1.00 14.46 N ATOM 0 H ARG A -3 -14.416 17.806 -3.837 1.00 12.29 H new ATOM 0 HA ARG A -3 -11.873 19.059 -4.660 1.00 12.43 H new ATOM 0 HB2 ARG A -3 -13.523 19.497 -6.426 1.00 12.66 H new ATOM 0 HB3 ARG A -3 -14.690 20.040 -5.237 1.00 12.66 H new ATOM 0 HG2 ARG A -3 -13.320 21.974 -4.681 1.00 13.08 H new ATOM 0 HG3 ARG A -3 -12.010 21.394 -5.691 1.00 13.08 H new ATOM 0 HD2 ARG A -3 -13.345 21.655 -7.704 1.00 13.33 H new ATOM 0 HD3 ARG A -3 -14.788 21.992 -6.769 1.00 13.33 H new ATOM 0 HE ARG A -3 -13.403 24.059 -5.934 1.00 13.68 H new ATOM 0 HH11 ARG A -3 -13.053 22.570 -9.119 1.00 13.97 H new ATOM 0 HH12 ARG A -3 -12.707 24.104 -9.925 1.00 13.97 H new ATOM 0 HH21 ARG A -3 -13.002 26.023 -6.979 1.00 14.46 H new ATOM 0 HH22 ARG A -3 -12.678 26.054 -8.715 1.00 14.46 H new ATOM 44 N SER A -2 -14.113 19.634 -2.333 1.00 11.93 N ATOM 45 CA SER A -2 -14.316 20.241 -1.026 1.00 12.17 C ATOM 46 C SER A -2 -14.204 19.191 0.078 1.00 11.88 C ATOM 47 O SER A -2 -14.753 18.095 -0.043 1.00 11.14 O ATOM 48 CB SER A -2 -15.690 20.911 -0.974 1.00 12.01 C ATOM 49 OG SER A -2 -15.876 21.776 -2.084 1.00 11.89 O ATOM 0 H SER A -2 -14.886 19.049 -2.651 1.00 11.93 H new ATOM 0 HA SER A -2 -13.543 20.993 -0.866 1.00 12.17 H new ATOM 0 HB2 SER A -2 -16.470 20.150 -0.967 1.00 12.01 H new ATOM 0 HB3 SER A -2 -15.788 21.476 -0.047 1.00 12.01 H new ATOM 0 HG SER A -2 -16.762 22.192 -2.030 1.00 11.89 H new ATOM 55 N PRO A -1 -13.478 19.507 1.164 1.00 12.62 N ATOM 56 CA PRO A -1 -13.322 18.598 2.301 1.00 12.63 C ATOM 57 C PRO A -1 -14.636 18.386 3.047 1.00 12.19 C ATOM 58 O PRO A -1 -15.446 19.306 3.173 1.00 12.50 O ATOM 59 CB PRO A -1 -12.300 19.306 3.195 1.00 13.78 C ATOM 60 CG PRO A -1 -12.399 20.745 2.826 1.00 14.31 C ATOM 61 CD PRO A -1 -12.760 20.777 1.367 1.00 13.65 C ATOM 0 HA PRO A -1 -13.005 17.603 1.989 1.00 12.63 H new ATOM 0 HB2 PRO A -1 -12.525 19.153 4.250 1.00 13.78 H new ATOM 0 HB3 PRO A -1 -11.294 18.923 3.025 1.00 13.78 H new ATOM 0 HG2 PRO A -1 -13.156 21.250 3.426 1.00 14.31 H new ATOM 0 HG3 PRO A -1 -11.455 21.259 3.005 1.00 14.31 H new ATOM 0 HD2 PRO A -1 -13.387 21.636 1.127 1.00 13.65 H new ATOM 0 HD3 PRO A -1 -11.874 20.843 0.735 1.00 13.65 H new ATOM 69 N GLY A 0 -14.847 17.171 3.527 1.00 11.64 N ATOM 70 CA GLY A 0 -16.075 16.849 4.224 1.00 11.36 C ATOM 71 C GLY A 0 -16.855 15.780 3.497 1.00 10.34 C ATOM 72 O GLY A 0 -17.709 15.106 4.080 1.00 10.25 O ATOM 0 H GLY A 0 -14.187 16.398 3.446 1.00 11.64 H new ATOM 0 HA2 GLY A 0 -15.844 16.510 5.234 1.00 11.36 H new ATOM 0 HA3 GLY A 0 -16.687 17.746 4.321 1.00 11.36 H new ATOM 76 N MET A 1 -16.566 15.636 2.213 1.00 9.76 N ATOM 77 CA MET A 1 -17.188 14.610 1.393 1.00 8.91 C ATOM 78 C MET A 1 -16.125 13.673 0.843 1.00 7.94 C ATOM 79 O MET A 1 -15.361 14.040 -0.050 1.00 7.83 O ATOM 80 CB MET A 1 -17.984 15.227 0.233 1.00 9.07 C ATOM 81 CG MET A 1 -19.215 16.014 0.663 1.00 9.23 C ATOM 82 SD MET A 1 -18.814 17.608 1.409 1.00 9.52 S ATOM 83 CE MET A 1 -20.452 18.201 1.827 1.00 10.00 C ATOM 0 H MET A 1 -15.898 16.223 1.713 1.00 9.76 H new ATOM 0 HA MET A 1 -17.881 14.051 2.022 1.00 8.91 H new ATOM 0 HB2 MET A 1 -17.326 15.886 -0.333 1.00 9.07 H new ATOM 0 HB3 MET A 1 -18.295 14.430 -0.443 1.00 9.07 H new ATOM 0 HG2 MET A 1 -19.856 16.177 -0.204 1.00 9.23 H new ATOM 0 HG3 MET A 1 -19.787 15.420 1.376 1.00 9.23 H new ATOM 0 HE1 MET A 1 -20.375 19.181 2.299 1.00 10.00 H new ATOM 0 HE2 MET A 1 -21.052 18.281 0.921 1.00 10.00 H new ATOM 0 HE3 MET A 1 -20.927 17.503 2.516 1.00 10.00 H new ATOM 93 N ALA A 2 -16.055 12.474 1.402 1.00 7.42 N ATOM 94 CA ALA A 2 -15.102 11.477 0.945 1.00 6.49 C ATOM 95 C ALA A 2 -15.522 10.915 -0.403 1.00 5.57 C ATOM 96 O ALA A 2 -16.612 10.360 -0.543 1.00 5.73 O ATOM 97 CB ALA A 2 -14.969 10.361 1.965 1.00 6.46 C ATOM 0 H ALA A 2 -16.648 12.169 2.174 1.00 7.42 H new ATOM 0 HA ALA A 2 -14.131 11.959 0.831 1.00 6.49 H new ATOM 0 HB1 ALA A 2 -14.251 9.623 1.606 1.00 6.46 H new ATOM 0 HB2 ALA A 2 -14.622 10.773 2.912 1.00 6.46 H new ATOM 0 HB3 ALA A 2 -15.938 9.883 2.110 1.00 6.46 H new ATOM 103 N ASP A 3 -14.656 11.073 -1.392 1.00 4.82 N ATOM 104 CA ASP A 3 -14.932 10.591 -2.740 1.00 4.07 C ATOM 105 C ASP A 3 -14.939 9.066 -2.771 1.00 3.42 C ATOM 106 O ASP A 3 -14.277 8.415 -1.957 1.00 3.36 O ATOM 107 CB ASP A 3 -13.887 11.125 -3.709 1.00 3.92 C ATOM 108 CG ASP A 3 -14.361 11.136 -5.146 1.00 3.91 C ATOM 109 OD1 ASP A 3 -14.546 10.052 -5.728 1.00 4.05 O ATOM 110 OD2 ASP A 3 -14.543 12.235 -5.702 1.00 4.23 O ATOM 0 H ASP A 3 -13.752 11.533 -1.287 1.00 4.82 H new ATOM 0 HA ASP A 3 -15.916 10.950 -3.042 1.00 4.07 H new ATOM 0 HB2 ASP A 3 -13.612 12.138 -3.416 1.00 3.92 H new ATOM 0 HB3 ASP A 3 -12.986 10.516 -3.634 1.00 3.92 H new ATOM 115 N GLN A 4 -15.675 8.502 -3.713 1.00 3.34 N ATOM 116 CA GLN A 4 -15.807 7.056 -3.823 1.00 3.48 C ATOM 117 C GLN A 4 -14.877 6.497 -4.889 1.00 2.99 C ATOM 118 O GLN A 4 -14.723 5.286 -5.026 1.00 3.54 O ATOM 119 CB GLN A 4 -17.264 6.679 -4.103 1.00 4.26 C ATOM 120 CG GLN A 4 -17.920 7.454 -5.240 1.00 4.71 C ATOM 121 CD GLN A 4 -17.553 6.943 -6.619 1.00 5.51 C ATOM 122 OE1 GLN A 4 -17.292 5.754 -6.807 1.00 5.74 O ATOM 123 NE2 GLN A 4 -17.530 7.840 -7.589 1.00 6.23 N ATOM 0 H GLN A 4 -16.194 9.026 -4.418 1.00 3.34 H new ATOM 0 HA GLN A 4 -15.513 6.610 -2.873 1.00 3.48 H new ATOM 0 HB2 GLN A 4 -17.311 5.615 -4.334 1.00 4.26 H new ATOM 0 HB3 GLN A 4 -17.845 6.834 -3.194 1.00 4.26 H new ATOM 0 HG2 GLN A 4 -19.003 7.408 -5.122 1.00 4.71 H new ATOM 0 HG3 GLN A 4 -17.635 8.503 -5.164 1.00 4.71 H new ATOM 0 HE21 GLN A 4 -17.753 8.815 -7.388 1.00 6.23 H new ATOM 0 HE22 GLN A 4 -17.289 7.558 -8.539 1.00 6.23 H new ATOM 132 N ARG A 5 -14.261 7.390 -5.638 1.00 2.50 N ATOM 133 CA ARG A 5 -13.289 7.023 -6.645 1.00 2.68 C ATOM 134 C ARG A 5 -11.878 7.015 -6.070 1.00 2.06 C ATOM 135 O ARG A 5 -10.897 7.073 -6.813 1.00 2.58 O ATOM 136 CB ARG A 5 -13.374 8.011 -7.793 1.00 3.25 C ATOM 137 CG ARG A 5 -14.396 7.624 -8.840 1.00 4.11 C ATOM 138 CD ARG A 5 -13.966 6.381 -9.597 1.00 4.98 C ATOM 139 NE ARG A 5 -14.986 5.927 -10.539 1.00 5.72 N ATOM 140 CZ ARG A 5 -14.851 4.863 -11.328 1.00 6.72 C ATOM 141 NH1 ARG A 5 -13.722 4.161 -11.317 1.00 7.07 N ATOM 142 NH2 ARG A 5 -15.843 4.502 -12.135 1.00 7.54 N ATOM 0 H ARG A 5 -14.422 8.394 -5.564 1.00 2.50 H new ATOM 0 HA ARG A 5 -13.511 6.016 -6.999 1.00 2.68 H new ATOM 0 HB2 ARG A 5 -13.623 8.996 -7.398 1.00 3.25 H new ATOM 0 HB3 ARG A 5 -12.395 8.095 -8.264 1.00 3.25 H new ATOM 0 HG2 ARG A 5 -15.360 7.446 -8.363 1.00 4.11 H new ATOM 0 HG3 ARG A 5 -14.534 8.449 -9.539 1.00 4.11 H new ATOM 0 HD2 ARG A 5 -13.042 6.588 -10.137 1.00 4.98 H new ATOM 0 HD3 ARG A 5 -13.748 5.583 -8.887 1.00 4.98 H new ATOM 0 HE ARG A 5 -15.855 6.458 -10.596 1.00 5.72 H new ATOM 0 HH11 ARG A 5 -12.956 4.437 -10.703 1.00 7.07 H new ATOM 0 HH12 ARG A 5 -13.622 3.346 -11.923 1.00 7.07 H new ATOM 0 HH21 ARG A 5 -16.709 5.040 -12.151 1.00 7.54 H new ATOM 0 HH22 ARG A 5 -15.738 3.687 -12.739 1.00 7.54 H new ATOM 156 N GLN A 6 -11.799 6.904 -4.746 1.00 1.28 N ATOM 157 CA GLN A 6 -10.543 6.989 -4.009 1.00 0.78 C ATOM 158 C GLN A 6 -9.852 8.326 -4.261 1.00 0.83 C ATOM 159 O GLN A 6 -9.173 8.529 -5.266 1.00 1.14 O ATOM 160 CB GLN A 6 -9.617 5.805 -4.307 1.00 0.87 C ATOM 161 CG GLN A 6 -10.088 4.500 -3.666 1.00 0.82 C ATOM 162 CD GLN A 6 -10.948 3.645 -4.584 1.00 1.10 C ATOM 163 OE1 GLN A 6 -11.636 4.144 -5.469 1.00 1.97 O ATOM 164 NE2 GLN A 6 -10.918 2.343 -4.370 1.00 1.15 N ATOM 0 H GLN A 6 -12.613 6.751 -4.150 1.00 1.28 H new ATOM 0 HA GLN A 6 -10.784 6.933 -2.947 1.00 0.78 H new ATOM 0 HB2 GLN A 6 -9.547 5.668 -5.386 1.00 0.87 H new ATOM 0 HB3 GLN A 6 -8.614 6.037 -3.950 1.00 0.87 H new ATOM 0 HG2 GLN A 6 -9.217 3.922 -3.356 1.00 0.82 H new ATOM 0 HG3 GLN A 6 -10.654 4.732 -2.764 1.00 0.82 H new ATOM 0 HE21 GLN A 6 -10.335 1.962 -3.625 1.00 1.15 H new ATOM 0 HE22 GLN A 6 -11.478 1.718 -4.949 1.00 1.15 H new ATOM 173 N ARG A 7 -10.024 9.222 -3.303 1.00 0.84 N ATOM 174 CA ARG A 7 -9.705 10.637 -3.481 1.00 1.03 C ATOM 175 C ARG A 7 -8.265 11.000 -3.128 1.00 0.98 C ATOM 176 O ARG A 7 -7.859 12.149 -3.298 1.00 1.17 O ATOM 177 CB ARG A 7 -10.670 11.481 -2.638 1.00 1.18 C ATOM 178 CG ARG A 7 -10.848 11.002 -1.194 1.00 1.16 C ATOM 179 CD ARG A 7 -9.627 11.287 -0.326 1.00 1.14 C ATOM 180 NE ARG A 7 -9.282 12.707 -0.322 1.00 1.61 N ATOM 181 CZ ARG A 7 -8.407 13.268 0.512 1.00 1.80 C ATOM 182 NH1 ARG A 7 -7.786 12.538 1.435 1.00 1.51 N ATOM 183 NH2 ARG A 7 -8.151 14.565 0.421 1.00 2.67 N ATOM 0 H ARG A 7 -10.389 8.993 -2.378 1.00 0.84 H new ATOM 0 HA ARG A 7 -9.818 10.849 -4.544 1.00 1.03 H new ATOM 0 HB2 ARG A 7 -10.312 12.510 -2.623 1.00 1.18 H new ATOM 0 HB3 ARG A 7 -11.645 11.489 -3.126 1.00 1.18 H new ATOM 0 HG2 ARG A 7 -11.720 11.489 -0.759 1.00 1.16 H new ATOM 0 HG3 ARG A 7 -11.048 9.930 -1.193 1.00 1.16 H new ATOM 0 HD2 ARG A 7 -9.822 10.958 0.695 1.00 1.14 H new ATOM 0 HD3 ARG A 7 -8.779 10.708 -0.691 1.00 1.14 H new ATOM 0 HE ARG A 7 -9.742 13.310 -1.004 1.00 1.61 H new ATOM 0 HH11 ARG A 7 -7.978 11.539 1.509 1.00 1.51 H new ATOM 0 HH12 ARG A 7 -7.118 12.977 2.068 1.00 1.51 H new ATOM 0 HH21 ARG A 7 -8.623 15.130 -0.285 1.00 2.67 H new ATOM 0 HH22 ARG A 7 -7.482 14.999 1.057 1.00 2.67 H new ATOM 197 N SER A 8 -7.497 10.052 -2.631 1.00 0.77 N ATOM 198 CA SER A 8 -6.173 10.376 -2.129 1.00 0.75 C ATOM 199 C SER A 8 -5.089 10.039 -3.153 1.00 0.75 C ATOM 200 O SER A 8 -4.714 10.880 -3.971 1.00 1.06 O ATOM 201 CB SER A 8 -5.925 9.653 -0.802 1.00 0.65 C ATOM 202 OG SER A 8 -4.753 10.123 -0.163 1.00 1.38 O ATOM 0 H SER A 8 -7.758 9.068 -2.563 1.00 0.77 H new ATOM 0 HA SER A 8 -6.125 11.451 -1.954 1.00 0.75 H new ATOM 0 HB2 SER A 8 -6.782 9.797 -0.143 1.00 0.65 H new ATOM 0 HB3 SER A 8 -5.837 8.582 -0.982 1.00 0.65 H new ATOM 0 HG SER A 8 -4.625 9.642 0.681 1.00 1.38 H new ATOM 208 N LEU A 9 -4.609 8.808 -3.119 1.00 0.54 N ATOM 209 CA LEU A 9 -3.513 8.385 -3.977 1.00 0.53 C ATOM 210 C LEU A 9 -4.037 7.652 -5.220 1.00 0.55 C ATOM 211 O LEU A 9 -5.230 7.709 -5.530 1.00 0.59 O ATOM 212 CB LEU A 9 -2.484 7.534 -3.188 1.00 0.44 C ATOM 213 CG LEU A 9 -3.003 6.337 -2.369 1.00 0.35 C ATOM 214 CD1 LEU A 9 -3.486 6.770 -0.994 1.00 0.66 C ATOM 215 CD2 LEU A 9 -4.106 5.609 -3.104 1.00 0.65 C ATOM 0 H LEU A 9 -4.964 8.078 -2.502 1.00 0.54 H new ATOM 0 HA LEU A 9 -2.991 9.276 -4.327 1.00 0.53 H new ATOM 0 HB2 LEU A 9 -1.749 7.157 -3.899 1.00 0.44 H new ATOM 0 HB3 LEU A 9 -1.955 8.200 -2.506 1.00 0.44 H new ATOM 0 HG LEU A 9 -2.165 5.652 -2.235 1.00 0.35 H new ATOM 0 HD11 LEU A 9 -3.845 5.900 -0.444 1.00 0.66 H new ATOM 0 HD12 LEU A 9 -2.663 7.231 -0.448 1.00 0.66 H new ATOM 0 HD13 LEU A 9 -4.297 7.490 -1.103 1.00 0.66 H new ATOM 0 HD21 LEU A 9 -4.452 4.769 -2.501 1.00 0.65 H new ATOM 0 HD22 LEU A 9 -4.936 6.292 -3.285 1.00 0.65 H new ATOM 0 HD23 LEU A 9 -3.726 5.240 -4.057 1.00 0.65 H new HETATM 227 N SEP A 10 -3.147 6.957 -5.913 1.00 0.56 N HETATM 228 CA SEP A 10 -3.497 6.266 -7.142 1.00 0.60 C HETATM 229 CB SEP A 10 -2.321 6.310 -8.115 1.00 0.74 C HETATM 230 OG SEP A 10 -1.848 7.641 -8.289 1.00 1.08 O HETATM 231 C SEP A 10 -3.852 4.824 -6.824 1.00 0.47 C HETATM 232 O SEP A 10 -3.049 4.100 -6.247 1.00 0.46 O HETATM 233 P SEP A 10 -0.461 7.544 -9.102 1.00 1.55 P HETATM 234 O1P SEP A 10 0.602 6.846 -8.167 1.00 2.41 O HETATM 235 O2P SEP A 10 0.074 9.023 -9.311 1.00 2.39 O HETATM 236 O3P SEP A 10 -0.729 6.819 -10.379 1.00 2.04 O HETATM 0 HB3 SEP A 10 -1.513 5.680 -7.743 1.00 0.74 H new HETATM 0 HB2 SEP A 10 -2.627 5.901 -9.078 1.00 0.74 H new HETATM 0 HA SEP A 10 -4.354 6.757 -7.603 1.00 0.60 H new HETATM 0 H SEP A 10 -2.224 7.378 -5.810 1.00 0.56 H new ATOM 241 N THR A 11 -5.053 4.405 -7.175 1.00 0.43 N ATOM 242 CA THR A 11 -5.479 3.061 -6.847 1.00 0.36 C ATOM 243 C THR A 11 -5.117 2.059 -7.933 1.00 0.37 C ATOM 244 O THR A 11 -5.895 1.793 -8.852 1.00 0.44 O ATOM 245 CB THR A 11 -6.981 2.997 -6.533 1.00 0.44 C ATOM 246 OG1 THR A 11 -7.707 3.923 -7.355 1.00 0.60 O ATOM 247 CG2 THR A 11 -7.218 3.305 -5.065 1.00 0.54 C ATOM 0 H THR A 11 -5.740 4.966 -7.679 1.00 0.43 H new ATOM 0 HA THR A 11 -4.933 2.782 -5.946 1.00 0.36 H new ATOM 0 HB THR A 11 -7.339 1.990 -6.748 1.00 0.44 H new ATOM 0 HG1 THR A 11 -8.662 3.869 -7.144 1.00 0.60 H new ATOM 0 HG21 THR A 11 -8.286 3.257 -4.851 1.00 0.54 H new ATOM 0 HG22 THR A 11 -6.692 2.575 -4.450 1.00 0.54 H new ATOM 0 HG23 THR A 11 -6.847 4.304 -4.838 1.00 0.54 H new ATOM 255 N SER A 12 -3.904 1.544 -7.837 1.00 0.36 N ATOM 256 CA SER A 12 -3.462 0.462 -8.691 1.00 0.40 C ATOM 257 C SER A 12 -2.578 -0.491 -7.900 1.00 0.34 C ATOM 258 O SER A 12 -1.351 -0.395 -7.920 1.00 0.41 O ATOM 259 CB SER A 12 -2.732 1.009 -9.921 1.00 0.53 C ATOM 260 OG SER A 12 -1.763 1.979 -9.551 1.00 1.26 O ATOM 0 H SER A 12 -3.203 1.863 -7.168 1.00 0.36 H new ATOM 0 HA SER A 12 -4.332 -0.091 -9.045 1.00 0.40 H new ATOM 0 HB2 SER A 12 -2.247 0.191 -10.454 1.00 0.53 H new ATOM 0 HB3 SER A 12 -3.452 1.454 -10.607 1.00 0.53 H new ATOM 0 HG SER A 12 -1.194 1.618 -8.839 1.00 1.26 H new ATOM 266 N GLY A 13 -3.220 -1.390 -7.169 1.00 0.28 N ATOM 267 CA GLY A 13 -2.500 -2.368 -6.383 1.00 0.29 C ATOM 268 C GLY A 13 -2.021 -3.530 -7.227 1.00 0.27 C ATOM 269 O GLY A 13 -1.448 -4.491 -6.719 1.00 0.27 O ATOM 0 H GLY A 13 -4.236 -1.459 -7.107 1.00 0.28 H new ATOM 0 HA2 GLY A 13 -1.645 -1.891 -5.904 1.00 0.29 H new ATOM 0 HA3 GLY A 13 -3.145 -2.739 -5.587 1.00 0.29 H new ATOM 273 N GLU A 14 -2.238 -3.424 -8.526 1.00 0.28 N ATOM 274 CA GLU A 14 -1.947 -4.510 -9.452 1.00 0.26 C ATOM 275 C GLU A 14 -0.439 -4.707 -9.654 1.00 0.20 C ATOM 276 O GLU A 14 0.001 -5.762 -10.105 1.00 0.23 O ATOM 277 CB GLU A 14 -2.664 -4.277 -10.795 1.00 0.32 C ATOM 278 CG GLU A 14 -2.688 -2.825 -11.281 1.00 0.35 C ATOM 279 CD GLU A 14 -1.319 -2.272 -11.617 1.00 0.95 C ATOM 280 OE1 GLU A 14 -0.822 -2.541 -12.733 1.00 0.99 O ATOM 281 OE2 GLU A 14 -0.743 -1.558 -10.777 1.00 1.60 O ATOM 0 H GLU A 14 -2.619 -2.588 -8.969 1.00 0.28 H new ATOM 0 HA GLU A 14 -2.328 -5.431 -9.011 1.00 0.26 H new ATOM 0 HB2 GLU A 14 -2.182 -4.890 -11.557 1.00 0.32 H new ATOM 0 HB3 GLU A 14 -3.691 -4.630 -10.706 1.00 0.32 H new ATOM 0 HG2 GLU A 14 -3.324 -2.757 -12.164 1.00 0.35 H new ATOM 0 HG3 GLU A 14 -3.143 -2.201 -10.512 1.00 0.35 H new ATOM 288 N SER A 15 0.343 -3.696 -9.310 1.00 0.21 N ATOM 289 CA SER A 15 1.790 -3.755 -9.454 1.00 0.22 C ATOM 290 C SER A 15 2.441 -4.311 -8.189 1.00 0.19 C ATOM 291 O SER A 15 3.644 -4.522 -8.166 1.00 0.22 O ATOM 292 CB SER A 15 2.362 -2.370 -9.774 1.00 0.31 C ATOM 293 OG SER A 15 3.679 -2.466 -10.299 1.00 0.74 O ATOM 0 H SER A 15 -0.004 -2.817 -8.926 1.00 0.21 H new ATOM 0 HA SER A 15 2.015 -4.425 -10.284 1.00 0.22 H new ATOM 0 HB2 SER A 15 1.717 -1.865 -10.493 1.00 0.31 H new ATOM 0 HB3 SER A 15 2.371 -1.760 -8.871 1.00 0.31 H new ATOM 0 HG SER A 15 4.019 -1.568 -10.496 1.00 0.74 H new ATOM 299 N LEU A 16 1.632 -4.532 -7.148 1.00 0.16 N ATOM 300 CA LEU A 16 2.109 -4.891 -5.798 1.00 0.14 C ATOM 301 C LEU A 16 3.328 -5.816 -5.795 1.00 0.14 C ATOM 302 O LEU A 16 4.368 -5.465 -5.240 1.00 0.16 O ATOM 303 CB LEU A 16 0.971 -5.553 -5.025 1.00 0.16 C ATOM 304 CG LEU A 16 0.429 -4.747 -3.844 1.00 0.16 C ATOM 305 CD1 LEU A 16 0.375 -3.264 -4.175 1.00 0.16 C ATOM 306 CD2 LEU A 16 -0.950 -5.256 -3.462 1.00 0.18 C ATOM 0 H LEU A 16 0.616 -4.467 -7.214 1.00 0.16 H new ATOM 0 HA LEU A 16 2.427 -3.963 -5.323 1.00 0.14 H new ATOM 0 HB2 LEU A 16 0.151 -5.751 -5.716 1.00 0.16 H new ATOM 0 HB3 LEU A 16 1.317 -6.519 -4.657 1.00 0.16 H new ATOM 0 HG LEU A 16 1.104 -4.877 -2.998 1.00 0.16 H new ATOM 0 HD11 LEU A 16 -0.014 -2.714 -3.318 1.00 0.16 H new ATOM 0 HD12 LEU A 16 1.378 -2.907 -4.411 1.00 0.16 H new ATOM 0 HD13 LEU A 16 -0.277 -3.106 -5.034 1.00 0.16 H new ATOM 0 HD21 LEU A 16 -1.331 -4.678 -2.620 1.00 0.18 H new ATOM 0 HD22 LEU A 16 -1.625 -5.149 -4.311 1.00 0.18 H new ATOM 0 HD23 LEU A 16 -0.885 -6.307 -3.181 1.00 0.18 H new ATOM 318 N TYR A 17 3.210 -6.975 -6.424 1.00 0.17 N ATOM 319 CA TYR A 17 4.296 -7.959 -6.425 1.00 0.20 C ATOM 320 C TYR A 17 5.565 -7.401 -7.076 1.00 0.24 C ATOM 321 O TYR A 17 6.681 -7.808 -6.747 1.00 0.34 O ATOM 322 CB TYR A 17 3.856 -9.237 -7.144 1.00 0.25 C ATOM 323 CG TYR A 17 3.492 -9.055 -8.600 1.00 0.63 C ATOM 324 CD1 TYR A 17 2.208 -8.686 -8.975 1.00 0.69 C ATOM 325 CD2 TYR A 17 4.433 -9.265 -9.599 1.00 1.22 C ATOM 326 CE1 TYR A 17 1.872 -8.528 -10.305 1.00 1.08 C ATOM 327 CE2 TYR A 17 4.104 -9.111 -10.929 1.00 1.66 C ATOM 328 CZ TYR A 17 2.824 -8.742 -11.277 1.00 1.53 C ATOM 329 OH TYR A 17 2.496 -8.590 -12.605 1.00 1.99 O ATOM 0 H TYR A 17 2.379 -7.262 -6.940 1.00 0.17 H new ATOM 0 HA TYR A 17 4.528 -8.193 -5.386 1.00 0.20 H new ATOM 0 HB2 TYR A 17 4.659 -9.971 -7.074 1.00 0.25 H new ATOM 0 HB3 TYR A 17 2.997 -9.654 -6.619 1.00 0.25 H new ATOM 0 HD1 TYR A 17 1.459 -8.520 -8.214 1.00 0.69 H new ATOM 0 HD2 TYR A 17 5.438 -9.553 -9.330 1.00 1.22 H new ATOM 0 HE1 TYR A 17 0.869 -8.238 -10.581 1.00 1.08 H new ATOM 0 HE2 TYR A 17 4.847 -9.279 -11.695 1.00 1.66 H new ATOM 0 HH TYR A 17 3.282 -8.777 -13.160 1.00 1.99 H new ATOM 339 N HIS A 18 5.382 -6.453 -7.981 1.00 0.22 N ATOM 340 CA HIS A 18 6.481 -5.864 -8.735 1.00 0.26 C ATOM 341 C HIS A 18 7.043 -4.650 -8.011 1.00 0.23 C ATOM 342 O HIS A 18 8.173 -4.232 -8.257 1.00 0.29 O ATOM 343 CB HIS A 18 5.985 -5.452 -10.127 1.00 0.31 C ATOM 344 CG HIS A 18 7.054 -4.902 -11.023 1.00 0.82 C ATOM 345 ND1 HIS A 18 7.271 -3.552 -11.193 1.00 1.62 N ATOM 346 CD2 HIS A 18 7.967 -5.526 -11.802 1.00 1.37 C ATOM 347 CE1 HIS A 18 8.268 -3.372 -12.035 1.00 1.96 C ATOM 348 NE2 HIS A 18 8.709 -4.553 -12.420 1.00 1.74 N ATOM 0 H HIS A 18 4.467 -6.069 -8.215 1.00 0.22 H new ATOM 0 HA HIS A 18 7.274 -6.606 -8.831 1.00 0.26 H new ATOM 0 HB2 HIS A 18 5.532 -6.318 -10.610 1.00 0.31 H new ATOM 0 HB3 HIS A 18 5.201 -4.703 -10.014 1.00 0.31 H new ATOM 0 HD2 HIS A 18 8.089 -6.593 -11.916 1.00 1.37 H new ATOM 0 HE1 HIS A 18 8.658 -2.417 -12.356 1.00 1.96 H new ATOM 0 HE2 HIS A 18 9.477 -4.716 -13.071 1.00 1.74 H new ATOM 357 N VAL A 19 6.243 -4.101 -7.120 1.00 0.17 N ATOM 358 CA VAL A 19 6.590 -2.877 -6.423 1.00 0.16 C ATOM 359 C VAL A 19 7.857 -3.046 -5.583 1.00 0.17 C ATOM 360 O VAL A 19 8.722 -2.169 -5.557 1.00 0.20 O ATOM 361 CB VAL A 19 5.416 -2.414 -5.533 1.00 0.15 C ATOM 362 CG1 VAL A 19 5.857 -1.338 -4.573 1.00 0.18 C ATOM 363 CG2 VAL A 19 4.271 -1.902 -6.385 1.00 0.19 C ATOM 0 H VAL A 19 5.336 -4.488 -6.858 1.00 0.17 H new ATOM 0 HA VAL A 19 6.790 -2.114 -7.175 1.00 0.16 H new ATOM 0 HB VAL A 19 5.075 -3.275 -4.958 1.00 0.15 H new ATOM 0 HG11 VAL A 19 5.011 -1.030 -3.958 1.00 0.18 H new ATOM 0 HG12 VAL A 19 6.650 -1.725 -3.932 1.00 0.18 H new ATOM 0 HG13 VAL A 19 6.229 -0.481 -5.134 1.00 0.18 H new ATOM 0 HG21 VAL A 19 3.453 -1.580 -5.740 1.00 0.19 H new ATOM 0 HG22 VAL A 19 4.613 -1.059 -6.985 1.00 0.19 H new ATOM 0 HG23 VAL A 19 3.923 -2.698 -7.043 1.00 0.19 H new ATOM 373 N LEU A 20 7.976 -4.183 -4.924 1.00 0.18 N ATOM 374 CA LEU A 20 9.107 -4.428 -4.031 1.00 0.24 C ATOM 375 C LEU A 20 9.907 -5.659 -4.457 1.00 0.27 C ATOM 376 O LEU A 20 11.089 -5.779 -4.134 1.00 0.33 O ATOM 377 CB LEU A 20 8.644 -4.566 -2.573 1.00 0.28 C ATOM 378 CG LEU A 20 7.173 -4.935 -2.360 1.00 0.23 C ATOM 379 CD1 LEU A 20 6.841 -6.271 -3.001 1.00 0.25 C ATOM 380 CD2 LEU A 20 6.854 -4.968 -0.874 1.00 0.28 C ATOM 0 H LEU A 20 7.309 -4.953 -4.986 1.00 0.18 H new ATOM 0 HA LEU A 20 9.764 -3.561 -4.102 1.00 0.24 H new ATOM 0 HB2 LEU A 20 9.260 -5.323 -2.089 1.00 0.28 H new ATOM 0 HB3 LEU A 20 8.838 -3.623 -2.062 1.00 0.28 H new ATOM 0 HG LEU A 20 6.559 -4.173 -2.840 1.00 0.23 H new ATOM 0 HD11 LEU A 20 5.790 -6.504 -2.832 1.00 0.25 H new ATOM 0 HD12 LEU A 20 7.033 -6.218 -4.073 1.00 0.25 H new ATOM 0 HD13 LEU A 20 7.461 -7.051 -2.559 1.00 0.25 H new ATOM 0 HD21 LEU A 20 5.806 -5.231 -0.733 1.00 0.28 H new ATOM 0 HD22 LEU A 20 7.484 -5.710 -0.383 1.00 0.28 H new ATOM 0 HD23 LEU A 20 7.043 -3.987 -0.439 1.00 0.28 H new ATOM 392 N GLY A 21 9.265 -6.566 -5.185 1.00 0.27 N ATOM 393 CA GLY A 21 9.936 -7.779 -5.620 1.00 0.32 C ATOM 394 C GLY A 21 9.621 -8.969 -4.733 1.00 0.34 C ATOM 395 O GLY A 21 10.514 -9.730 -4.356 1.00 0.65 O ATOM 0 H GLY A 21 8.293 -6.484 -5.482 1.00 0.27 H new ATOM 0 HA2 GLY A 21 9.641 -8.006 -6.645 1.00 0.32 H new ATOM 0 HA3 GLY A 21 11.013 -7.611 -5.628 1.00 0.32 H new ATOM 399 N LEU A 22 8.349 -9.129 -4.404 1.00 0.19 N ATOM 400 CA LEU A 22 7.890 -10.226 -3.562 1.00 0.16 C ATOM 401 C LEU A 22 6.383 -10.353 -3.732 1.00 0.17 C ATOM 402 O LEU A 22 5.734 -9.395 -4.141 1.00 0.19 O ATOM 403 CB LEU A 22 8.241 -9.953 -2.086 1.00 0.14 C ATOM 404 CG LEU A 22 8.502 -11.183 -1.189 1.00 0.15 C ATOM 405 CD1 LEU A 22 8.650 -12.462 -2.001 1.00 0.19 C ATOM 406 CD2 LEU A 22 9.753 -10.967 -0.362 1.00 0.18 C ATOM 0 H LEU A 22 7.605 -8.503 -4.712 1.00 0.19 H new ATOM 0 HA LEU A 22 8.381 -11.154 -3.856 1.00 0.16 H new ATOM 0 HB2 LEU A 22 9.128 -9.320 -2.060 1.00 0.14 H new ATOM 0 HB3 LEU A 22 7.427 -9.378 -1.645 1.00 0.14 H new ATOM 0 HG LEU A 22 7.636 -11.296 -0.536 1.00 0.15 H new ATOM 0 HD11 LEU A 22 8.832 -13.301 -1.329 1.00 0.19 H new ATOM 0 HD12 LEU A 22 7.736 -12.642 -2.566 1.00 0.19 H new ATOM 0 HD13 LEU A 22 9.488 -12.361 -2.690 1.00 0.19 H new ATOM 0 HD21 LEU A 22 9.928 -11.840 0.267 1.00 0.18 H new ATOM 0 HD22 LEU A 22 10.606 -10.820 -1.024 1.00 0.18 H new ATOM 0 HD23 LEU A 22 9.626 -10.086 0.267 1.00 0.18 H new ATOM 418 N ASP A 23 5.841 -11.527 -3.437 1.00 0.18 N ATOM 419 CA ASP A 23 4.401 -11.756 -3.500 1.00 0.21 C ATOM 420 C ASP A 23 4.059 -13.160 -3.054 1.00 0.23 C ATOM 421 O ASP A 23 4.378 -14.116 -3.747 1.00 0.26 O ATOM 422 CB ASP A 23 3.841 -11.540 -4.912 1.00 0.29 C ATOM 423 CG ASP A 23 4.437 -12.463 -5.966 1.00 1.05 C ATOM 424 OD1 ASP A 23 5.603 -12.239 -6.363 1.00 1.77 O ATOM 425 OD2 ASP A 23 3.751 -13.420 -6.391 1.00 1.13 O ATOM 0 H ASP A 23 6.381 -12.343 -3.149 1.00 0.18 H new ATOM 0 HA ASP A 23 3.945 -11.029 -2.829 1.00 0.21 H new ATOM 0 HB2 ASP A 23 2.761 -11.683 -4.888 1.00 0.29 H new ATOM 0 HB3 ASP A 23 4.019 -10.506 -5.208 1.00 0.29 H new ATOM 430 N LYS A 24 3.437 -13.265 -1.874 1.00 0.23 N ATOM 431 CA LYS A 24 2.842 -14.515 -1.349 1.00 0.28 C ATOM 432 C LYS A 24 3.747 -15.750 -1.462 1.00 0.28 C ATOM 433 O LYS A 24 3.298 -16.874 -1.236 1.00 0.34 O ATOM 434 CB LYS A 24 1.485 -14.775 -2.022 1.00 0.35 C ATOM 435 CG LYS A 24 1.562 -14.897 -3.529 1.00 0.37 C ATOM 436 CD LYS A 24 1.395 -16.328 -3.985 1.00 0.43 C ATOM 437 CE LYS A 24 2.583 -16.755 -4.814 1.00 0.50 C ATOM 438 NZ LYS A 24 2.691 -15.967 -6.074 1.00 1.42 N ATOM 0 H LYS A 24 3.327 -12.473 -1.240 1.00 0.23 H new ATOM 0 HA LYS A 24 2.708 -14.355 -0.279 1.00 0.28 H new ATOM 0 HB2 LYS A 24 1.058 -15.691 -1.614 1.00 0.35 H new ATOM 0 HB3 LYS A 24 0.803 -13.964 -1.767 1.00 0.35 H new ATOM 0 HG2 LYS A 24 0.789 -14.278 -3.984 1.00 0.37 H new ATOM 0 HG3 LYS A 24 2.522 -14.514 -3.876 1.00 0.37 H new ATOM 0 HD2 LYS A 24 1.292 -16.983 -3.120 1.00 0.43 H new ATOM 0 HD3 LYS A 24 0.480 -16.426 -4.570 1.00 0.43 H new ATOM 0 HE2 LYS A 24 3.496 -16.634 -4.230 1.00 0.50 H new ATOM 0 HE3 LYS A 24 2.496 -17.815 -5.054 1.00 0.50 H new ATOM 0 HZ1 LYS A 24 3.265 -16.493 -6.764 1.00 1.42 H new ATOM 0 HZ2 LYS A 24 1.741 -15.806 -6.465 1.00 1.42 H new ATOM 0 HZ3 LYS A 24 3.143 -15.052 -5.874 1.00 1.42 H new ATOM 452 N ASN A 25 5.010 -15.546 -1.798 1.00 0.25 N ATOM 453 CA ASN A 25 5.961 -16.636 -1.871 1.00 0.28 C ATOM 454 C ASN A 25 6.766 -16.676 -0.591 1.00 0.25 C ATOM 455 O ASN A 25 7.276 -17.717 -0.177 1.00 0.31 O ATOM 456 CB ASN A 25 6.924 -16.474 -3.053 1.00 0.31 C ATOM 457 CG ASN A 25 6.338 -16.916 -4.378 1.00 0.35 C ATOM 458 OD1 ASN A 25 6.408 -18.089 -4.741 1.00 0.40 O ATOM 459 ND2 ASN A 25 5.780 -15.979 -5.122 1.00 0.37 N ATOM 0 H ASN A 25 5.399 -14.631 -2.025 1.00 0.25 H new ATOM 0 HA ASN A 25 5.401 -17.561 -2.011 1.00 0.28 H new ATOM 0 HB2 ASN A 25 7.221 -15.428 -3.128 1.00 0.31 H new ATOM 0 HB3 ASN A 25 7.828 -17.049 -2.855 1.00 0.31 H new ATOM 0 HD21 ASN A 25 5.388 -16.217 -6.033 1.00 0.37 H new ATOM 0 HD22 ASN A 25 5.741 -15.017 -4.786 1.00 0.37 H new ATOM 466 N ALA A 26 6.875 -15.508 0.014 1.00 0.20 N ATOM 467 CA ALA A 26 7.649 -15.316 1.220 1.00 0.19 C ATOM 468 C ALA A 26 6.768 -15.370 2.436 1.00 0.19 C ATOM 469 O ALA A 26 5.545 -15.247 2.353 1.00 0.24 O ATOM 470 CB ALA A 26 8.361 -13.986 1.163 1.00 0.18 C ATOM 0 H ALA A 26 6.423 -14.659 -0.324 1.00 0.20 H new ATOM 0 HA ALA A 26 8.382 -16.119 1.291 1.00 0.19 H new ATOM 0 HB1 ALA A 26 8.943 -13.846 2.074 1.00 0.18 H new ATOM 0 HB2 ALA A 26 9.027 -13.966 0.300 1.00 0.18 H new ATOM 0 HB3 ALA A 26 7.628 -13.184 1.074 1.00 0.18 H new ATOM 476 N THR A 27 7.408 -15.561 3.558 1.00 0.21 N ATOM 477 CA THR A 27 6.747 -15.540 4.832 1.00 0.24 C ATOM 478 C THR A 27 6.453 -14.098 5.218 1.00 0.21 C ATOM 479 O THR A 27 6.768 -13.169 4.463 1.00 0.21 O ATOM 480 CB THR A 27 7.651 -16.194 5.887 1.00 0.30 C ATOM 481 OG1 THR A 27 8.752 -15.326 6.185 1.00 0.33 O ATOM 482 CG2 THR A 27 8.190 -17.509 5.357 1.00 0.35 C ATOM 0 H THR A 27 8.411 -15.737 3.613 1.00 0.21 H new ATOM 0 HA THR A 27 5.811 -16.095 4.774 1.00 0.24 H new ATOM 0 HB THR A 27 7.068 -16.373 6.790 1.00 0.30 H new ATOM 0 HG1 THR A 27 9.592 -15.827 6.114 1.00 0.33 H new ATOM 0 HG21 THR A 27 8.831 -17.969 6.109 1.00 0.35 H new ATOM 0 HG22 THR A 27 7.360 -18.177 5.130 1.00 0.35 H new ATOM 0 HG23 THR A 27 8.768 -17.327 4.451 1.00 0.35 H new ATOM 490 N SER A 28 5.862 -13.901 6.380 1.00 0.26 N ATOM 491 CA SER A 28 5.655 -12.563 6.897 1.00 0.32 C ATOM 492 C SER A 28 6.993 -11.892 7.166 1.00 0.31 C ATOM 493 O SER A 28 7.068 -10.686 7.373 1.00 0.41 O ATOM 494 CB SER A 28 4.800 -12.602 8.163 1.00 0.40 C ATOM 495 OG SER A 28 3.557 -13.237 7.912 1.00 1.54 O ATOM 0 H SER A 28 5.517 -14.648 6.983 1.00 0.26 H new ATOM 0 HA SER A 28 5.121 -11.978 6.149 1.00 0.32 H new ATOM 0 HB2 SER A 28 5.333 -13.134 8.951 1.00 0.40 H new ATOM 0 HB3 SER A 28 4.629 -11.588 8.523 1.00 0.40 H new ATOM 0 HG SER A 28 3.259 -13.025 7.003 1.00 1.54 H new ATOM 501 N ASP A 29 8.045 -12.685 7.165 1.00 0.27 N ATOM 502 CA ASP A 29 9.385 -12.168 7.340 1.00 0.34 C ATOM 503 C ASP A 29 9.907 -11.539 6.050 1.00 0.32 C ATOM 504 O ASP A 29 10.178 -10.341 6.021 1.00 0.44 O ATOM 505 CB ASP A 29 10.333 -13.270 7.817 1.00 0.38 C ATOM 506 CG ASP A 29 11.787 -12.845 7.771 1.00 0.97 C ATOM 507 OD1 ASP A 29 12.236 -12.121 8.683 1.00 0.96 O ATOM 508 OD2 ASP A 29 12.492 -13.242 6.821 1.00 1.68 O ATOM 0 H ASP A 29 7.996 -13.697 7.044 1.00 0.27 H new ATOM 0 HA ASP A 29 9.344 -11.391 8.103 1.00 0.34 H new ATOM 0 HB2 ASP A 29 10.073 -13.552 8.837 1.00 0.38 H new ATOM 0 HB3 ASP A 29 10.197 -14.156 7.196 1.00 0.38 H new ATOM 513 N ASP A 30 9.996 -12.315 4.962 1.00 0.22 N ATOM 514 CA ASP A 30 10.736 -11.841 3.789 1.00 0.21 C ATOM 515 C ASP A 30 9.982 -10.732 3.076 1.00 0.16 C ATOM 516 O ASP A 30 10.579 -9.752 2.645 1.00 0.17 O ATOM 517 CB ASP A 30 11.050 -12.982 2.821 1.00 0.23 C ATOM 518 CG ASP A 30 12.314 -12.721 2.023 1.00 0.89 C ATOM 519 OD1 ASP A 30 13.409 -12.701 2.629 1.00 1.22 O ATOM 520 OD2 ASP A 30 12.226 -12.532 0.793 1.00 1.81 O ATOM 0 H ASP A 30 9.580 -13.242 4.870 1.00 0.22 H new ATOM 0 HA ASP A 30 11.683 -11.437 4.148 1.00 0.21 H new ATOM 0 HB2 ASP A 30 11.160 -13.911 3.380 1.00 0.23 H new ATOM 0 HB3 ASP A 30 10.212 -13.118 2.138 1.00 0.23 H new ATOM 525 N ILE A 31 8.668 -10.890 2.956 1.00 0.14 N ATOM 526 CA ILE A 31 7.821 -9.867 2.362 1.00 0.14 C ATOM 527 C ILE A 31 7.964 -8.519 3.069 1.00 0.14 C ATOM 528 O ILE A 31 8.075 -7.479 2.419 1.00 0.16 O ATOM 529 CB ILE A 31 6.358 -10.318 2.353 1.00 0.21 C ATOM 530 CG1 ILE A 31 6.215 -11.410 1.304 1.00 0.38 C ATOM 531 CG2 ILE A 31 5.423 -9.152 2.060 1.00 0.16 C ATOM 532 CD1 ILE A 31 4.967 -12.218 1.441 1.00 0.42 C ATOM 0 H ILE A 31 8.166 -11.723 3.265 1.00 0.14 H new ATOM 0 HA ILE A 31 8.154 -9.729 1.333 1.00 0.14 H new ATOM 0 HB ILE A 31 6.080 -10.701 3.335 1.00 0.21 H new ATOM 0 HG12 ILE A 31 6.235 -10.955 0.314 1.00 0.38 H new ATOM 0 HG13 ILE A 31 7.076 -12.075 1.366 1.00 0.38 H new ATOM 0 HG21 ILE A 31 4.391 -9.504 2.060 1.00 0.16 H new ATOM 0 HG22 ILE A 31 5.545 -8.386 2.826 1.00 0.16 H new ATOM 0 HG23 ILE A 31 5.662 -8.730 1.084 1.00 0.16 H new ATOM 0 HD11 ILE A 31 4.936 -12.976 0.658 1.00 0.42 H new ATOM 0 HD12 ILE A 31 4.953 -12.704 2.417 1.00 0.42 H new ATOM 0 HD13 ILE A 31 4.099 -11.565 1.348 1.00 0.42 H new ATOM 544 N LYS A 32 7.986 -8.535 4.397 1.00 0.17 N ATOM 545 CA LYS A 32 8.110 -7.296 5.155 1.00 0.21 C ATOM 546 C LYS A 32 9.496 -6.686 4.970 1.00 0.20 C ATOM 547 O LYS A 32 9.622 -5.481 4.785 1.00 0.21 O ATOM 548 CB LYS A 32 7.813 -7.517 6.638 1.00 0.29 C ATOM 549 CG LYS A 32 6.368 -7.906 6.907 1.00 0.33 C ATOM 550 CD LYS A 32 5.398 -6.895 6.324 1.00 0.35 C ATOM 551 CE LYS A 32 3.964 -7.389 6.397 1.00 0.43 C ATOM 552 NZ LYS A 32 3.495 -7.561 7.799 1.00 0.88 N ATOM 0 H LYS A 32 7.921 -9.380 4.965 1.00 0.17 H new ATOM 0 HA LYS A 32 7.370 -6.596 4.768 1.00 0.21 H new ATOM 0 HB2 LYS A 32 8.470 -8.298 7.021 1.00 0.29 H new ATOM 0 HB3 LYS A 32 8.046 -6.606 7.189 1.00 0.29 H new ATOM 0 HG2 LYS A 32 6.170 -8.889 6.480 1.00 0.33 H new ATOM 0 HG3 LYS A 32 6.207 -7.987 7.982 1.00 0.33 H new ATOM 0 HD2 LYS A 32 5.486 -5.952 6.864 1.00 0.35 H new ATOM 0 HD3 LYS A 32 5.662 -6.694 5.286 1.00 0.35 H new ATOM 0 HE2 LYS A 32 3.312 -6.683 5.883 1.00 0.43 H new ATOM 0 HE3 LYS A 32 3.883 -8.340 5.870 1.00 0.43 H new ATOM 0 HZ1 LYS A 32 2.501 -7.867 7.797 1.00 0.88 H new ATOM 0 HZ2 LYS A 32 4.078 -8.280 8.274 1.00 0.88 H new ATOM 0 HZ3 LYS A 32 3.578 -6.657 8.306 1.00 0.88 H new ATOM 566 N LYS A 33 10.530 -7.520 5.001 1.00 0.21 N ATOM 567 CA LYS A 33 11.897 -7.046 4.772 1.00 0.22 C ATOM 568 C LYS A 33 12.017 -6.481 3.362 1.00 0.19 C ATOM 569 O LYS A 33 12.664 -5.455 3.148 1.00 0.19 O ATOM 570 CB LYS A 33 12.904 -8.185 4.935 1.00 0.28 C ATOM 571 CG LYS A 33 12.779 -8.955 6.240 1.00 0.35 C ATOM 572 CD LYS A 33 13.166 -8.122 7.450 1.00 0.49 C ATOM 573 CE LYS A 33 13.012 -8.926 8.734 1.00 0.62 C ATOM 574 NZ LYS A 33 13.594 -8.231 9.910 1.00 1.41 N ATOM 0 H LYS A 33 10.453 -8.521 5.181 1.00 0.21 H new ATOM 0 HA LYS A 33 12.114 -6.271 5.507 1.00 0.22 H new ATOM 0 HB2 LYS A 33 12.784 -8.881 4.104 1.00 0.28 H new ATOM 0 HB3 LYS A 33 13.912 -7.775 4.865 1.00 0.28 H new ATOM 0 HG2 LYS A 33 11.752 -9.302 6.356 1.00 0.35 H new ATOM 0 HG3 LYS A 33 13.412 -9.841 6.196 1.00 0.35 H new ATOM 0 HD2 LYS A 33 14.197 -7.784 7.349 1.00 0.49 H new ATOM 0 HD3 LYS A 33 12.541 -7.230 7.497 1.00 0.49 H new ATOM 0 HE2 LYS A 33 11.954 -9.117 8.915 1.00 0.62 H new ATOM 0 HE3 LYS A 33 13.495 -9.896 8.613 1.00 0.62 H new ATOM 0 HZ1 LYS A 33 13.464 -8.817 10.759 1.00 1.41 H new ATOM 0 HZ2 LYS A 33 14.609 -8.071 9.751 1.00 1.41 H new ATOM 0 HZ3 LYS A 33 13.116 -7.317 10.045 1.00 1.41 H new ATOM 588 N SER A 34 11.381 -7.168 2.411 1.00 0.18 N ATOM 589 CA SER A 34 11.352 -6.738 1.017 1.00 0.18 C ATOM 590 C SER A 34 10.822 -5.317 0.922 1.00 0.19 C ATOM 591 O SER A 34 11.279 -4.523 0.107 1.00 0.30 O ATOM 592 CB SER A 34 10.468 -7.673 0.179 1.00 0.21 C ATOM 593 OG SER A 34 10.626 -7.427 -1.209 1.00 0.26 O ATOM 0 H SER A 34 10.874 -8.035 2.588 1.00 0.18 H new ATOM 0 HA SER A 34 12.369 -6.773 0.627 1.00 0.18 H new ATOM 0 HB2 SER A 34 10.723 -8.710 0.398 1.00 0.21 H new ATOM 0 HB3 SER A 34 9.423 -7.536 0.458 1.00 0.21 H new ATOM 0 HG SER A 34 11.098 -8.179 -1.623 1.00 0.26 H new ATOM 599 N TYR A 35 9.859 -5.004 1.771 1.00 0.17 N ATOM 600 CA TYR A 35 9.306 -3.667 1.831 1.00 0.18 C ATOM 601 C TYR A 35 10.265 -2.721 2.528 1.00 0.18 C ATOM 602 O TYR A 35 10.565 -1.662 2.020 1.00 0.26 O ATOM 603 CB TYR A 35 7.965 -3.677 2.573 1.00 0.22 C ATOM 604 CG TYR A 35 7.643 -2.376 3.291 1.00 0.24 C ATOM 605 CD1 TYR A 35 7.310 -1.234 2.572 1.00 0.33 C ATOM 606 CD2 TYR A 35 7.673 -2.290 4.677 1.00 0.29 C ATOM 607 CE1 TYR A 35 7.021 -0.046 3.213 1.00 0.40 C ATOM 608 CE2 TYR A 35 7.382 -1.104 5.326 1.00 0.38 C ATOM 609 CZ TYR A 35 7.050 -0.006 4.622 1.00 0.42 C ATOM 610 OH TYR A 35 6.772 1.202 5.229 1.00 0.51 O ATOM 0 H TYR A 35 9.444 -5.662 2.430 1.00 0.17 H new ATOM 0 HA TYR A 35 9.148 -3.320 0.810 1.00 0.18 H new ATOM 0 HB2 TYR A 35 7.169 -3.893 1.860 1.00 0.22 H new ATOM 0 HB3 TYR A 35 7.970 -4.489 3.300 1.00 0.22 H new ATOM 0 HD1 TYR A 35 7.277 -1.277 1.493 1.00 0.33 H new ATOM 0 HD2 TYR A 35 7.928 -3.164 5.258 1.00 0.29 H new ATOM 0 HE1 TYR A 35 6.777 0.839 2.644 1.00 0.40 H new ATOM 0 HE2 TYR A 35 7.421 -1.059 6.404 1.00 0.38 H new ATOM 0 HH TYR A 35 6.823 1.098 6.202 1.00 0.51 H new ATOM 620 N ARG A 36 10.757 -3.143 3.675 1.00 0.16 N ATOM 621 CA ARG A 36 11.466 -2.259 4.595 1.00 0.19 C ATOM 622 C ARG A 36 12.756 -1.705 4.011 1.00 0.21 C ATOM 623 O ARG A 36 12.883 -0.503 3.832 1.00 0.23 O ATOM 624 CB ARG A 36 11.757 -2.980 5.898 1.00 0.25 C ATOM 625 CG ARG A 36 10.497 -3.314 6.658 1.00 0.29 C ATOM 626 CD ARG A 36 10.787 -3.848 8.043 1.00 0.42 C ATOM 627 NE ARG A 36 9.553 -4.240 8.728 1.00 0.83 N ATOM 628 CZ ARG A 36 9.468 -5.194 9.653 1.00 1.30 C ATOM 629 NH1 ARG A 36 10.551 -5.847 10.052 1.00 1.53 N ATOM 630 NH2 ARG A 36 8.292 -5.488 10.188 1.00 1.74 N ATOM 0 H ARG A 36 10.680 -4.106 4.001 1.00 0.16 H new ATOM 0 HA ARG A 36 10.809 -1.409 4.780 1.00 0.19 H new ATOM 0 HB2 ARG A 36 12.307 -3.897 5.689 1.00 0.25 H new ATOM 0 HB3 ARG A 36 12.400 -2.358 6.520 1.00 0.25 H new ATOM 0 HG2 ARG A 36 9.876 -2.422 6.738 1.00 0.29 H new ATOM 0 HG3 ARG A 36 9.923 -4.053 6.099 1.00 0.29 H new ATOM 0 HD2 ARG A 36 11.455 -4.706 7.972 1.00 0.42 H new ATOM 0 HD3 ARG A 36 11.305 -3.088 8.628 1.00 0.42 H new ATOM 0 HE ARG A 36 8.696 -3.746 8.478 1.00 0.83 H new ATOM 0 HH11 ARG A 36 11.460 -5.620 9.650 1.00 1.53 H new ATOM 0 HH12 ARG A 36 10.475 -6.576 10.761 1.00 1.53 H new ATOM 0 HH21 ARG A 36 7.456 -4.984 9.891 1.00 1.74 H new ATOM 0 HH22 ARG A 36 8.222 -6.218 10.897 1.00 1.74 H new ATOM 644 N LYS A 37 13.707 -2.577 3.701 1.00 0.35 N ATOM 645 CA LYS A 37 15.014 -2.138 3.187 1.00 0.45 C ATOM 646 C LYS A 37 14.858 -1.376 1.870 1.00 0.40 C ATOM 647 O LYS A 37 15.728 -0.609 1.465 1.00 0.43 O ATOM 648 CB LYS A 37 15.938 -3.342 2.990 1.00 0.67 C ATOM 649 CG LYS A 37 15.378 -4.400 2.054 1.00 0.78 C ATOM 650 CD LYS A 37 16.269 -5.630 2.005 1.00 1.04 C ATOM 651 CE LYS A 37 15.651 -6.732 1.160 1.00 0.85 C ATOM 652 NZ LYS A 37 16.497 -7.953 1.141 1.00 1.37 N ATOM 0 H LYS A 37 13.607 -3.588 3.793 1.00 0.35 H new ATOM 0 HA LYS A 37 15.457 -1.465 3.921 1.00 0.45 H new ATOM 0 HB2 LYS A 37 16.894 -2.994 2.599 1.00 0.67 H new ATOM 0 HB3 LYS A 37 16.137 -3.798 3.960 1.00 0.67 H new ATOM 0 HG2 LYS A 37 14.379 -4.686 2.383 1.00 0.78 H new ATOM 0 HG3 LYS A 37 15.276 -3.983 1.052 1.00 0.78 H new ATOM 0 HD2 LYS A 37 17.243 -5.359 1.596 1.00 1.04 H new ATOM 0 HD3 LYS A 37 16.439 -5.998 3.017 1.00 1.04 H new ATOM 0 HE2 LYS A 37 14.664 -6.980 1.551 1.00 0.85 H new ATOM 0 HE3 LYS A 37 15.509 -6.372 0.141 1.00 0.85 H new ATOM 0 HZ1 LYS A 37 16.042 -8.681 0.555 1.00 1.37 H new ATOM 0 HZ2 LYS A 37 17.430 -7.722 0.744 1.00 1.37 H new ATOM 0 HZ3 LYS A 37 16.612 -8.311 2.111 1.00 1.37 H new ATOM 666 N LEU A 38 13.737 -1.612 1.225 1.00 0.45 N ATOM 667 CA LEU A 38 13.382 -0.992 -0.034 1.00 0.61 C ATOM 668 C LEU A 38 12.562 0.289 0.244 1.00 0.60 C ATOM 669 O LEU A 38 12.476 1.187 -0.590 1.00 0.76 O ATOM 670 CB LEU A 38 12.678 -2.110 -0.848 1.00 1.00 C ATOM 671 CG LEU A 38 11.599 -1.774 -1.877 1.00 0.27 C ATOM 672 CD1 LEU A 38 10.327 -1.347 -1.185 1.00 0.57 C ATOM 673 CD2 LEU A 38 12.074 -0.733 -2.871 1.00 0.44 C ATOM 0 H LEU A 38 13.027 -2.258 1.571 1.00 0.45 H new ATOM 0 HA LEU A 38 14.220 -0.629 -0.629 1.00 0.61 H new ATOM 0 HB2 LEU A 38 13.458 -2.663 -1.372 1.00 1.00 H new ATOM 0 HB3 LEU A 38 12.230 -2.795 -0.128 1.00 1.00 H new ATOM 0 HG LEU A 38 11.386 -2.677 -2.450 1.00 0.27 H new ATOM 0 HD11 LEU A 38 9.568 -1.111 -1.931 1.00 0.57 H new ATOM 0 HD12 LEU A 38 9.970 -2.156 -0.548 1.00 0.57 H new ATOM 0 HD13 LEU A 38 10.523 -0.465 -0.575 1.00 0.57 H new ATOM 0 HD21 LEU A 38 11.278 -0.522 -3.585 1.00 0.44 H new ATOM 0 HD22 LEU A 38 12.338 0.182 -2.341 1.00 0.44 H new ATOM 0 HD23 LEU A 38 12.948 -1.110 -3.403 1.00 0.44 H new ATOM 685 N ALA A 39 12.029 0.382 1.462 1.00 0.49 N ATOM 686 CA ALA A 39 11.202 1.510 1.888 1.00 0.59 C ATOM 687 C ALA A 39 12.046 2.715 2.273 1.00 0.57 C ATOM 688 O ALA A 39 11.938 3.766 1.644 1.00 0.72 O ATOM 689 CB ALA A 39 10.313 1.110 3.053 1.00 0.59 C ATOM 0 H ALA A 39 12.160 -0.326 2.184 1.00 0.49 H new ATOM 0 HA ALA A 39 10.579 1.792 1.040 1.00 0.59 H new ATOM 0 HB1 ALA A 39 9.705 1.962 3.356 1.00 0.59 H new ATOM 0 HB2 ALA A 39 9.662 0.290 2.749 1.00 0.59 H new ATOM 0 HB3 ALA A 39 10.933 0.790 3.891 1.00 0.59 H new ATOM 695 N LEU A 40 12.900 2.580 3.300 1.00 0.44 N ATOM 696 CA LEU A 40 13.780 3.697 3.675 1.00 0.51 C ATOM 697 C LEU A 40 14.750 4.012 2.539 1.00 0.46 C ATOM 698 O LEU A 40 15.399 5.053 2.513 1.00 0.58 O ATOM 699 CB LEU A 40 14.537 3.488 5.018 1.00 0.56 C ATOM 700 CG LEU A 40 15.137 2.103 5.343 1.00 0.51 C ATOM 701 CD1 LEU A 40 14.070 1.153 5.862 1.00 0.48 C ATOM 702 CD2 LEU A 40 15.861 1.497 4.151 1.00 0.44 C ATOM 0 H LEU A 40 12.999 1.739 3.868 1.00 0.44 H new ATOM 0 HA LEU A 40 13.128 4.554 3.844 1.00 0.51 H new ATOM 0 HB2 LEU A 40 15.351 4.213 5.051 1.00 0.56 H new ATOM 0 HB3 LEU A 40 13.849 3.744 5.824 1.00 0.56 H new ATOM 0 HG LEU A 40 15.877 2.255 6.129 1.00 0.51 H new ATOM 0 HD11 LEU A 40 14.521 0.185 6.083 1.00 0.48 H new ATOM 0 HD12 LEU A 40 13.628 1.563 6.770 1.00 0.48 H new ATOM 0 HD13 LEU A 40 13.295 1.028 5.106 1.00 0.48 H new ATOM 0 HD21 LEU A 40 16.266 0.524 4.428 1.00 0.44 H new ATOM 0 HD22 LEU A 40 15.162 1.377 3.323 1.00 0.44 H new ATOM 0 HD23 LEU A 40 16.675 2.155 3.846 1.00 0.44 H new ATOM 714 N LYS A 41 14.794 3.104 1.584 1.00 0.37 N ATOM 715 CA LYS A 41 15.577 3.250 0.380 1.00 0.40 C ATOM 716 C LYS A 41 14.978 4.330 -0.519 1.00 0.39 C ATOM 717 O LYS A 41 15.691 5.118 -1.139 1.00 0.48 O ATOM 718 CB LYS A 41 15.571 1.910 -0.308 1.00 0.51 C ATOM 719 CG LYS A 41 15.877 1.943 -1.774 1.00 0.62 C ATOM 720 CD LYS A 41 15.443 0.636 -2.361 1.00 0.65 C ATOM 721 CE LYS A 41 15.764 0.536 -3.826 1.00 0.72 C ATOM 722 NZ LYS A 41 17.218 0.353 -4.074 1.00 1.41 N ATOM 0 H LYS A 41 14.275 2.227 1.627 1.00 0.37 H new ATOM 0 HA LYS A 41 16.597 3.558 0.610 1.00 0.40 H new ATOM 0 HB2 LYS A 41 16.298 1.264 0.184 1.00 0.51 H new ATOM 0 HB3 LYS A 41 14.592 1.452 -0.168 1.00 0.51 H new ATOM 0 HG2 LYS A 41 15.355 2.770 -2.255 1.00 0.62 H new ATOM 0 HG3 LYS A 41 16.943 2.101 -1.938 1.00 0.62 H new ATOM 0 HD2 LYS A 41 15.931 -0.180 -1.828 1.00 0.65 H new ATOM 0 HD3 LYS A 41 14.369 0.514 -2.217 1.00 0.65 H new ATOM 0 HE2 LYS A 41 15.216 -0.300 -4.259 1.00 0.72 H new ATOM 0 HE3 LYS A 41 15.422 1.438 -4.333 1.00 0.72 H new ATOM 0 HZ1 LYS A 41 17.384 0.238 -5.094 1.00 1.41 H new ATOM 0 HZ2 LYS A 41 17.736 1.186 -3.730 1.00 1.41 H new ATOM 0 HZ3 LYS A 41 17.552 -0.494 -3.572 1.00 1.41 H new ATOM 736 N TYR A 42 13.656 4.351 -0.572 1.00 0.36 N ATOM 737 CA TYR A 42 12.921 5.312 -1.386 1.00 0.36 C ATOM 738 C TYR A 42 12.400 6.481 -0.561 1.00 0.40 C ATOM 739 O TYR A 42 11.645 7.312 -1.060 1.00 0.40 O ATOM 740 CB TYR A 42 11.757 4.617 -2.071 1.00 0.33 C ATOM 741 CG TYR A 42 12.152 3.916 -3.341 1.00 0.36 C ATOM 742 CD1 TYR A 42 12.594 2.610 -3.300 1.00 0.38 C ATOM 743 CD2 TYR A 42 12.097 4.556 -4.568 1.00 0.38 C ATOM 744 CE1 TYR A 42 12.974 1.947 -4.449 1.00 0.43 C ATOM 745 CE2 TYR A 42 12.476 3.909 -5.721 1.00 0.44 C ATOM 746 CZ TYR A 42 12.843 2.646 -5.708 1.00 0.45 C ATOM 747 OH TYR A 42 13.296 1.945 -6.810 1.00 0.52 O ATOM 0 H TYR A 42 13.061 3.705 -0.054 1.00 0.36 H new ATOM 0 HA TYR A 42 13.612 5.711 -2.128 1.00 0.36 H new ATOM 0 HB2 TYR A 42 11.319 3.892 -1.384 1.00 0.33 H new ATOM 0 HB3 TYR A 42 10.984 5.352 -2.294 1.00 0.33 H new ATOM 0 HD1 TYR A 42 12.644 2.097 -2.351 1.00 0.38 H new ATOM 0 HD2 TYR A 42 11.752 5.578 -4.620 1.00 0.38 H new ATOM 0 HE1 TYR A 42 13.357 0.938 -4.409 1.00 0.43 H new ATOM 0 HE2 TYR A 42 12.472 4.449 -6.656 1.00 0.44 H new ATOM 0 HH TYR A 42 13.170 2.487 -7.617 1.00 0.52 H new ATOM 757 N HIS A 43 12.800 6.546 0.698 1.00 0.46 N ATOM 758 CA HIS A 43 12.336 7.606 1.584 1.00 0.53 C ATOM 759 C HIS A 43 12.913 8.948 1.143 1.00 0.56 C ATOM 760 O HIS A 43 14.127 9.119 1.128 1.00 0.62 O ATOM 761 CB HIS A 43 12.758 7.313 3.028 1.00 0.62 C ATOM 762 CG HIS A 43 11.752 7.751 4.052 1.00 0.71 C ATOM 763 ND1 HIS A 43 12.094 8.150 5.325 1.00 1.17 N ATOM 764 CD2 HIS A 43 10.401 7.828 3.989 1.00 0.87 C ATOM 765 CE1 HIS A 43 10.999 8.450 6.000 1.00 1.12 C ATOM 766 NE2 HIS A 43 9.960 8.264 5.212 1.00 0.87 N ATOM 0 H HIS A 43 13.442 5.882 1.130 1.00 0.46 H new ATOM 0 HA HIS A 43 11.248 7.650 1.533 1.00 0.53 H new ATOM 0 HB2 HIS A 43 12.931 6.242 3.136 1.00 0.62 H new ATOM 0 HB3 HIS A 43 13.707 7.811 3.228 1.00 0.62 H new ATOM 0 HD2 HIS A 43 9.785 7.590 3.134 1.00 0.87 H new ATOM 0 HE1 HIS A 43 10.962 8.790 7.024 1.00 1.12 H new ATOM 0 HE2 HIS A 43 8.985 8.419 5.470 1.00 0.87 H new ATOM 775 N PRO A 44 12.054 9.918 0.771 1.00 0.54 N ATOM 776 CA PRO A 44 12.492 11.263 0.356 1.00 0.58 C ATOM 777 C PRO A 44 13.325 11.954 1.430 1.00 0.68 C ATOM 778 O PRO A 44 14.127 12.838 1.138 1.00 0.72 O ATOM 779 CB PRO A 44 11.185 12.028 0.127 1.00 0.58 C ATOM 780 CG PRO A 44 10.130 11.208 0.790 1.00 0.57 C ATOM 781 CD PRO A 44 10.593 9.785 0.703 1.00 0.51 C ATOM 0 HA PRO A 44 13.130 11.220 -0.527 1.00 0.58 H new ATOM 0 HB2 PRO A 44 11.234 13.029 0.557 1.00 0.58 H new ATOM 0 HB3 PRO A 44 10.980 12.148 -0.937 1.00 0.58 H new ATOM 0 HG2 PRO A 44 9.996 11.511 1.828 1.00 0.57 H new ATOM 0 HG3 PRO A 44 9.168 11.336 0.294 1.00 0.57 H new ATOM 0 HD2 PRO A 44 10.203 9.181 1.522 1.00 0.51 H new ATOM 0 HD3 PRO A 44 10.272 9.310 -0.224 1.00 0.51 H new ATOM 789 N ASP A 45 13.112 11.548 2.675 1.00 0.74 N ATOM 790 CA ASP A 45 13.922 12.013 3.798 1.00 0.85 C ATOM 791 C ASP A 45 15.394 11.676 3.569 1.00 0.89 C ATOM 792 O ASP A 45 16.288 12.416 3.979 1.00 0.96 O ATOM 793 CB ASP A 45 13.431 11.357 5.088 1.00 0.92 C ATOM 794 CG ASP A 45 14.198 11.807 6.316 1.00 1.06 C ATOM 795 OD1 ASP A 45 13.967 12.938 6.791 1.00 1.11 O ATOM 796 OD2 ASP A 45 15.033 11.026 6.820 1.00 1.16 O ATOM 0 H ASP A 45 12.377 10.890 2.936 1.00 0.74 H new ATOM 0 HA ASP A 45 13.824 13.095 3.881 1.00 0.85 H new ATOM 0 HB2 ASP A 45 12.374 11.585 5.224 1.00 0.92 H new ATOM 0 HB3 ASP A 45 13.514 10.274 4.992 1.00 0.92 H new ATOM 801 N LYS A 46 15.631 10.561 2.891 1.00 0.87 N ATOM 802 CA LYS A 46 16.982 10.110 2.591 1.00 0.94 C ATOM 803 C LYS A 46 17.351 10.458 1.159 1.00 0.90 C ATOM 804 O LYS A 46 18.519 10.430 0.782 1.00 0.99 O ATOM 805 CB LYS A 46 17.099 8.597 2.791 1.00 1.00 C ATOM 806 CG LYS A 46 16.603 8.127 4.142 1.00 1.04 C ATOM 807 CD LYS A 46 16.991 6.682 4.422 1.00 1.13 C ATOM 808 CE LYS A 46 18.493 6.452 4.319 1.00 1.57 C ATOM 809 NZ LYS A 46 19.262 7.274 5.292 1.00 2.08 N ATOM 0 H LYS A 46 14.897 9.948 2.536 1.00 0.87 H new ATOM 0 HA LYS A 46 17.667 10.615 3.272 1.00 0.94 H new ATOM 0 HB2 LYS A 46 16.534 8.090 2.009 1.00 1.00 H new ATOM 0 HB3 LYS A 46 18.142 8.302 2.673 1.00 1.00 H new ATOM 0 HG2 LYS A 46 17.012 8.770 4.922 1.00 1.04 H new ATOM 0 HG3 LYS A 46 15.518 8.226 4.184 1.00 1.04 H new ATOM 0 HD2 LYS A 46 16.652 6.405 5.420 1.00 1.13 H new ATOM 0 HD3 LYS A 46 16.477 6.028 3.717 1.00 1.13 H new ATOM 0 HE2 LYS A 46 18.709 5.397 4.489 1.00 1.57 H new ATOM 0 HE3 LYS A 46 18.825 6.686 3.308 1.00 1.57 H new ATOM 0 HZ1 LYS A 46 20.274 7.044 5.217 1.00 2.08 H new ATOM 0 HZ2 LYS A 46 19.120 8.283 5.083 1.00 2.08 H new ATOM 0 HZ3 LYS A 46 18.931 7.070 6.257 1.00 2.08 H new ATOM 823 N ASN A 47 16.346 10.786 0.364 1.00 0.79 N ATOM 824 CA ASN A 47 16.553 11.081 -1.043 1.00 0.77 C ATOM 825 C ASN A 47 15.835 12.367 -1.421 1.00 0.74 C ATOM 826 O ASN A 47 14.771 12.339 -2.039 1.00 0.66 O ATOM 827 CB ASN A 47 16.060 9.934 -1.928 1.00 0.69 C ATOM 828 CG ASN A 47 16.627 8.589 -1.517 1.00 0.74 C ATOM 829 OD1 ASN A 47 17.647 8.141 -2.042 1.00 0.83 O ATOM 830 ND2 ASN A 47 15.978 7.943 -0.559 1.00 0.71 N ATOM 0 H ASN A 47 15.376 10.855 0.671 1.00 0.79 H new ATOM 0 HA ASN A 47 17.624 11.203 -1.205 1.00 0.77 H new ATOM 0 HB2 ASN A 47 14.972 9.892 -1.888 1.00 0.69 H new ATOM 0 HB3 ASN A 47 16.333 10.137 -2.964 1.00 0.69 H new ATOM 0 HD21 ASN A 47 16.320 7.040 -0.231 1.00 0.71 H new ATOM 0 HD22 ASN A 47 15.136 8.349 -0.150 1.00 0.71 H new ATOM 837 N PRO A 48 16.395 13.506 -1.009 1.00 0.82 N ATOM 838 CA PRO A 48 15.854 14.827 -1.333 1.00 0.84 C ATOM 839 C PRO A 48 15.900 15.102 -2.829 1.00 0.84 C ATOM 840 O PRO A 48 16.655 14.450 -3.562 1.00 0.86 O ATOM 841 CB PRO A 48 16.782 15.788 -0.588 1.00 0.93 C ATOM 842 CG PRO A 48 18.043 15.019 -0.403 1.00 0.99 C ATOM 843 CD PRO A 48 17.609 13.601 -0.188 1.00 0.92 C ATOM 0 HA PRO A 48 14.807 14.924 -1.047 1.00 0.84 H new ATOM 0 HB2 PRO A 48 16.953 16.699 -1.161 1.00 0.93 H new ATOM 0 HB3 PRO A 48 16.356 16.089 0.369 1.00 0.93 H new ATOM 0 HG2 PRO A 48 18.689 15.105 -1.277 1.00 0.99 H new ATOM 0 HG3 PRO A 48 18.610 15.391 0.450 1.00 0.99 H new ATOM 0 HD2 PRO A 48 18.371 12.891 -0.509 1.00 0.92 H new ATOM 0 HD3 PRO A 48 17.404 13.395 0.863 1.00 0.92 H new ATOM 851 N ASP A 49 15.073 16.048 -3.275 1.00 0.85 N ATOM 852 CA ASP A 49 14.988 16.421 -4.689 1.00 0.89 C ATOM 853 C ASP A 49 14.278 15.327 -5.487 1.00 0.82 C ATOM 854 O ASP A 49 14.226 15.357 -6.717 1.00 0.88 O ATOM 855 CB ASP A 49 16.387 16.718 -5.259 1.00 0.98 C ATOM 856 CG ASP A 49 16.386 17.073 -6.736 1.00 1.08 C ATOM 857 OD1 ASP A 49 15.903 18.173 -7.084 1.00 1.20 O ATOM 858 OD2 ASP A 49 16.860 16.251 -7.556 1.00 1.09 O ATOM 0 H ASP A 49 14.445 16.576 -2.669 1.00 0.85 H new ATOM 0 HA ASP A 49 14.398 17.334 -4.775 1.00 0.89 H new ATOM 0 HB2 ASP A 49 16.830 17.541 -4.698 1.00 0.98 H new ATOM 0 HB3 ASP A 49 17.024 15.847 -5.105 1.00 0.98 H new ATOM 863 N ASN A 50 13.689 14.375 -4.781 1.00 0.74 N ATOM 864 CA ASN A 50 12.989 13.287 -5.435 1.00 0.68 C ATOM 865 C ASN A 50 11.590 13.115 -4.844 1.00 0.64 C ATOM 866 O ASN A 50 11.383 12.312 -3.936 1.00 0.61 O ATOM 867 CB ASN A 50 13.771 11.978 -5.304 1.00 0.65 C ATOM 868 CG ASN A 50 13.366 10.954 -6.342 1.00 0.64 C ATOM 869 OD1 ASN A 50 12.267 11.003 -6.896 1.00 0.83 O ATOM 870 ND2 ASN A 50 14.239 9.998 -6.588 1.00 0.74 N ATOM 0 H ASN A 50 13.683 14.335 -3.762 1.00 0.74 H new ATOM 0 HA ASN A 50 12.899 13.536 -6.492 1.00 0.68 H new ATOM 0 HB2 ASN A 50 14.837 12.184 -5.399 1.00 0.65 H new ATOM 0 HB3 ASN A 50 13.614 11.563 -4.308 1.00 0.65 H new ATOM 0 HD21 ASN A 50 14.015 9.263 -7.259 1.00 0.74 H new ATOM 0 HD22 ASN A 50 15.139 9.993 -6.108 1.00 0.74 H new ATOM 877 N PRO A 51 10.616 13.890 -5.340 1.00 0.67 N ATOM 878 CA PRO A 51 9.219 13.769 -4.922 1.00 0.68 C ATOM 879 C PRO A 51 8.605 12.490 -5.470 1.00 0.66 C ATOM 880 O PRO A 51 7.669 11.930 -4.904 1.00 0.67 O ATOM 881 CB PRO A 51 8.529 14.992 -5.537 1.00 0.78 C ATOM 882 CG PRO A 51 9.618 15.838 -6.110 1.00 0.79 C ATOM 883 CD PRO A 51 10.796 14.941 -6.342 1.00 0.73 C ATOM 0 HA PRO A 51 9.114 13.728 -3.838 1.00 0.68 H new ATOM 0 HB2 PRO A 51 7.821 14.692 -6.310 1.00 0.78 H new ATOM 0 HB3 PRO A 51 7.965 15.541 -4.783 1.00 0.78 H new ATOM 0 HG2 PRO A 51 9.296 16.300 -7.043 1.00 0.79 H new ATOM 0 HG3 PRO A 51 9.878 16.646 -5.427 1.00 0.79 H new ATOM 0 HD2 PRO A 51 10.801 14.536 -7.354 1.00 0.73 H new ATOM 0 HD3 PRO A 51 11.739 15.471 -6.206 1.00 0.73 H new ATOM 891 N GLU A 52 9.158 12.040 -6.586 1.00 0.66 N ATOM 892 CA GLU A 52 8.740 10.797 -7.217 1.00 0.67 C ATOM 893 C GLU A 52 9.048 9.611 -6.310 1.00 0.57 C ATOM 894 O GLU A 52 8.338 8.606 -6.317 1.00 0.56 O ATOM 895 CB GLU A 52 9.460 10.634 -8.552 1.00 0.72 C ATOM 896 CG GLU A 52 9.347 11.861 -9.434 1.00 0.95 C ATOM 897 CD GLU A 52 10.112 11.727 -10.731 1.00 1.28 C ATOM 898 OE1 GLU A 52 9.586 11.110 -11.675 1.00 1.53 O ATOM 899 OE2 GLU A 52 11.238 12.258 -10.819 1.00 1.66 O ATOM 0 H GLU A 52 9.908 12.525 -7.079 1.00 0.66 H new ATOM 0 HA GLU A 52 7.664 10.831 -7.389 1.00 0.67 H new ATOM 0 HB2 GLU A 52 10.513 10.420 -8.368 1.00 0.72 H new ATOM 0 HB3 GLU A 52 9.048 9.774 -9.079 1.00 0.72 H new ATOM 0 HG2 GLU A 52 8.296 12.047 -9.656 1.00 0.95 H new ATOM 0 HG3 GLU A 52 9.716 12.729 -8.888 1.00 0.95 H new ATOM 906 N ALA A 53 10.111 9.743 -5.527 1.00 0.53 N ATOM 907 CA ALA A 53 10.496 8.711 -4.573 1.00 0.46 C ATOM 908 C ALA A 53 9.445 8.566 -3.483 1.00 0.42 C ATOM 909 O ALA A 53 9.251 7.483 -2.946 1.00 0.37 O ATOM 910 CB ALA A 53 11.854 9.018 -3.965 1.00 0.47 C ATOM 0 H ALA A 53 10.724 10.558 -5.534 1.00 0.53 H new ATOM 0 HA ALA A 53 10.567 7.765 -5.109 1.00 0.46 H new ATOM 0 HB1 ALA A 53 12.121 8.234 -3.256 1.00 0.47 H new ATOM 0 HB2 ALA A 53 12.604 9.064 -4.754 1.00 0.47 H new ATOM 0 HB3 ALA A 53 11.813 9.977 -3.448 1.00 0.47 H new ATOM 916 N ALA A 54 8.761 9.661 -3.170 1.00 0.45 N ATOM 917 CA ALA A 54 7.669 9.632 -2.206 1.00 0.44 C ATOM 918 C ALA A 54 6.527 8.774 -2.728 1.00 0.43 C ATOM 919 O ALA A 54 5.878 8.048 -1.978 1.00 0.41 O ATOM 920 CB ALA A 54 7.171 11.039 -1.932 1.00 0.51 C ATOM 0 H ALA A 54 8.944 10.581 -3.571 1.00 0.45 H new ATOM 0 HA ALA A 54 8.041 9.200 -1.277 1.00 0.44 H new ATOM 0 HB1 ALA A 54 6.355 11.002 -1.210 1.00 0.51 H new ATOM 0 HB2 ALA A 54 7.985 11.641 -1.529 1.00 0.51 H new ATOM 0 HB3 ALA A 54 6.814 11.486 -2.860 1.00 0.51 H new ATOM 926 N ASP A 55 6.302 8.865 -4.030 1.00 0.46 N ATOM 927 CA ASP A 55 5.258 8.099 -4.695 1.00 0.47 C ATOM 928 C ASP A 55 5.666 6.633 -4.784 1.00 0.39 C ATOM 929 O ASP A 55 4.844 5.739 -4.596 1.00 0.36 O ATOM 930 CB ASP A 55 5.012 8.691 -6.081 1.00 0.57 C ATOM 931 CG ASP A 55 3.767 8.147 -6.751 1.00 0.63 C ATOM 932 OD1 ASP A 55 2.649 8.515 -6.322 1.00 0.72 O ATOM 933 OD2 ASP A 55 3.903 7.385 -7.730 1.00 0.66 O ATOM 0 H ASP A 55 6.836 9.470 -4.654 1.00 0.46 H new ATOM 0 HA ASP A 55 4.332 8.153 -4.123 1.00 0.47 H new ATOM 0 HB2 ASP A 55 4.927 9.774 -5.996 1.00 0.57 H new ATOM 0 HB3 ASP A 55 5.876 8.488 -6.714 1.00 0.57 H new ATOM 938 N LYS A 56 6.946 6.397 -5.052 1.00 0.39 N ATOM 939 CA LYS A 56 7.514 5.060 -4.968 1.00 0.34 C ATOM 940 C LYS A 56 7.365 4.515 -3.557 1.00 0.28 C ATOM 941 O LYS A 56 6.905 3.395 -3.354 1.00 0.26 O ATOM 942 CB LYS A 56 8.988 5.105 -5.325 1.00 0.38 C ATOM 943 CG LYS A 56 9.277 5.582 -6.731 1.00 0.48 C ATOM 944 CD LYS A 56 8.890 4.534 -7.760 1.00 0.64 C ATOM 945 CE LYS A 56 7.584 4.884 -8.451 1.00 0.83 C ATOM 946 NZ LYS A 56 7.739 6.039 -9.373 1.00 0.98 N ATOM 0 H LYS A 56 7.611 7.119 -5.330 1.00 0.39 H new ATOM 0 HA LYS A 56 6.983 4.412 -5.666 1.00 0.34 H new ATOM 0 HB2 LYS A 56 9.500 5.760 -4.620 1.00 0.38 H new ATOM 0 HB3 LYS A 56 9.410 4.108 -5.199 1.00 0.38 H new ATOM 0 HG2 LYS A 56 8.729 6.504 -6.924 1.00 0.48 H new ATOM 0 HG3 LYS A 56 10.337 5.815 -6.827 1.00 0.48 H new ATOM 0 HD2 LYS A 56 9.682 4.443 -8.503 1.00 0.64 H new ATOM 0 HD3 LYS A 56 8.796 3.563 -7.274 1.00 0.64 H new ATOM 0 HE2 LYS A 56 7.225 4.019 -9.009 1.00 0.83 H new ATOM 0 HE3 LYS A 56 6.827 5.116 -7.702 1.00 0.83 H new ATOM 0 HZ1 LYS A 56 6.932 6.070 -10.029 1.00 0.98 H new ATOM 0 HZ2 LYS A 56 7.772 6.921 -8.822 1.00 0.98 H new ATOM 0 HZ3 LYS A 56 8.621 5.935 -9.914 1.00 0.98 H new ATOM 960 N PHE A 57 7.744 5.335 -2.588 1.00 0.27 N ATOM 961 CA PHE A 57 7.662 4.973 -1.175 1.00 0.24 C ATOM 962 C PHE A 57 6.218 4.693 -0.785 1.00 0.24 C ATOM 963 O PHE A 57 5.938 4.003 0.189 1.00 0.26 O ATOM 964 CB PHE A 57 8.240 6.093 -0.301 1.00 0.27 C ATOM 965 CG PHE A 57 8.142 5.820 1.174 1.00 0.27 C ATOM 966 CD1 PHE A 57 8.984 4.898 1.777 1.00 0.31 C ATOM 967 CD2 PHE A 57 7.220 6.493 1.957 1.00 0.30 C ATOM 968 CE1 PHE A 57 8.905 4.656 3.135 1.00 0.36 C ATOM 969 CE2 PHE A 57 7.136 6.253 3.314 1.00 0.34 C ATOM 970 CZ PHE A 57 7.944 5.297 3.895 1.00 0.37 C ATOM 0 H PHE A 57 8.117 6.269 -2.755 1.00 0.27 H new ATOM 0 HA PHE A 57 8.249 4.069 -1.014 1.00 0.24 H new ATOM 0 HB2 PHE A 57 9.287 6.244 -0.565 1.00 0.27 H new ATOM 0 HB3 PHE A 57 7.717 7.023 -0.525 1.00 0.27 H new ATOM 0 HD1 PHE A 57 9.708 4.364 1.180 1.00 0.31 H new ATOM 0 HD2 PHE A 57 6.558 7.215 1.501 1.00 0.30 H new ATOM 0 HE1 PHE A 57 9.593 3.967 3.602 1.00 0.36 H new ATOM 0 HE2 PHE A 57 6.439 6.813 3.920 1.00 0.34 H new ATOM 0 HZ PHE A 57 7.826 5.050 4.940 1.00 0.37 H new ATOM 980 N LYS A 58 5.312 5.212 -1.580 1.00 0.26 N ATOM 981 CA LYS A 58 3.900 5.100 -1.332 1.00 0.28 C ATOM 982 C LYS A 58 3.335 3.796 -1.908 1.00 0.26 C ATOM 983 O LYS A 58 2.465 3.174 -1.300 1.00 0.29 O ATOM 984 CB LYS A 58 3.233 6.340 -1.922 1.00 0.32 C ATOM 985 CG LYS A 58 1.787 6.159 -2.327 1.00 0.36 C ATOM 986 CD LYS A 58 1.202 7.429 -2.930 1.00 0.52 C ATOM 987 CE LYS A 58 1.535 8.664 -2.106 1.00 0.79 C ATOM 988 NZ LYS A 58 0.962 8.616 -0.733 1.00 1.41 N ATOM 0 H LYS A 58 5.542 5.730 -2.428 1.00 0.26 H new ATOM 0 HA LYS A 58 3.698 5.054 -0.262 1.00 0.28 H new ATOM 0 HB2 LYS A 58 3.291 7.147 -1.192 1.00 0.32 H new ATOM 0 HB3 LYS A 58 3.802 6.659 -2.796 1.00 0.32 H new ATOM 0 HG2 LYS A 58 1.712 5.346 -3.049 1.00 0.36 H new ATOM 0 HG3 LYS A 58 1.200 5.867 -1.456 1.00 0.36 H new ATOM 0 HD2 LYS A 58 1.583 7.557 -3.943 1.00 0.52 H new ATOM 0 HD3 LYS A 58 0.120 7.327 -3.007 1.00 0.52 H new ATOM 0 HE2 LYS A 58 2.618 8.769 -2.039 1.00 0.79 H new ATOM 0 HE3 LYS A 58 1.160 9.549 -2.620 1.00 0.79 H new ATOM 0 HZ1 LYS A 58 1.221 9.482 -0.218 1.00 1.41 H new ATOM 0 HZ2 LYS A 58 -0.074 8.544 -0.791 1.00 1.41 H new ATOM 0 HZ3 LYS A 58 1.338 7.788 -0.229 1.00 1.41 H new ATOM 1002 N GLU A 59 3.841 3.371 -3.063 1.00 0.25 N ATOM 1003 CA GLU A 59 3.431 2.090 -3.641 1.00 0.24 C ATOM 1004 C GLU A 59 4.130 0.938 -2.937 1.00 0.23 C ATOM 1005 O GLU A 59 3.560 -0.140 -2.779 1.00 0.25 O ATOM 1006 CB GLU A 59 3.699 2.038 -5.152 1.00 0.28 C ATOM 1007 CG GLU A 59 5.098 2.465 -5.565 1.00 0.32 C ATOM 1008 CD GLU A 59 5.310 2.386 -7.063 1.00 0.40 C ATOM 1009 OE1 GLU A 59 4.785 3.258 -7.785 1.00 0.54 O ATOM 1010 OE2 GLU A 59 6.006 1.459 -7.525 1.00 0.51 O ATOM 0 H GLU A 59 4.528 3.887 -3.613 1.00 0.25 H new ATOM 0 HA GLU A 59 2.356 1.992 -3.493 1.00 0.24 H new ATOM 0 HB2 GLU A 59 3.526 1.021 -5.503 1.00 0.28 H new ATOM 0 HB3 GLU A 59 2.975 2.677 -5.658 1.00 0.28 H new ATOM 0 HG2 GLU A 59 5.277 3.487 -5.229 1.00 0.32 H new ATOM 0 HG3 GLU A 59 5.830 1.832 -5.064 1.00 0.32 H new ATOM 1017 N ILE A 60 5.363 1.162 -2.509 1.00 0.23 N ATOM 1018 CA ILE A 60 6.083 0.147 -1.755 1.00 0.24 C ATOM 1019 C ILE A 60 5.508 0.052 -0.355 1.00 0.24 C ATOM 1020 O ILE A 60 5.501 -1.016 0.253 1.00 0.27 O ATOM 1021 CB ILE A 60 7.598 0.427 -1.702 1.00 0.26 C ATOM 1022 CG1 ILE A 60 7.888 1.700 -0.917 1.00 0.24 C ATOM 1023 CG2 ILE A 60 8.150 0.532 -3.114 1.00 0.29 C ATOM 1024 CD1 ILE A 60 9.351 2.083 -0.885 1.00 0.28 C ATOM 0 H ILE A 60 5.881 2.026 -2.668 1.00 0.23 H new ATOM 0 HA ILE A 60 5.956 -0.806 -2.268 1.00 0.24 H new ATOM 0 HB ILE A 60 8.089 -0.400 -1.189 1.00 0.26 H new ATOM 0 HG12 ILE A 60 7.318 2.521 -1.352 1.00 0.24 H new ATOM 0 HG13 ILE A 60 7.534 1.573 0.106 1.00 0.24 H new ATOM 0 HG21 ILE A 60 9.221 0.730 -3.072 1.00 0.29 H new ATOM 0 HG22 ILE A 60 7.974 -0.404 -3.644 1.00 0.29 H new ATOM 0 HG23 ILE A 60 7.651 1.346 -3.640 1.00 0.29 H new ATOM 0 HD11 ILE A 60 9.475 2.999 -0.307 1.00 0.28 H new ATOM 0 HD12 ILE A 60 9.927 1.282 -0.422 1.00 0.28 H new ATOM 0 HD13 ILE A 60 9.707 2.245 -1.902 1.00 0.28 H new ATOM 1036 N ASN A 61 5.001 1.185 0.134 1.00 0.24 N ATOM 1037 CA ASN A 61 4.245 1.223 1.375 1.00 0.28 C ATOM 1038 C ASN A 61 3.065 0.273 1.269 1.00 0.29 C ATOM 1039 O ASN A 61 2.713 -0.409 2.227 1.00 0.36 O ATOM 1040 CB ASN A 61 3.736 2.645 1.642 1.00 0.36 C ATOM 1041 CG ASN A 61 2.881 2.750 2.894 1.00 0.51 C ATOM 1042 OD1 ASN A 61 3.385 3.024 3.982 1.00 0.62 O ATOM 1043 ND2 ASN A 61 1.579 2.534 2.749 1.00 0.60 N ATOM 0 H ASN A 61 5.105 2.093 -0.319 1.00 0.24 H new ATOM 0 HA ASN A 61 4.892 0.920 2.198 1.00 0.28 H new ATOM 0 HB2 ASN A 61 4.589 3.318 1.735 1.00 0.36 H new ATOM 0 HB3 ASN A 61 3.155 2.983 0.784 1.00 0.36 H new ATOM 0 HD21 ASN A 61 0.959 2.593 3.557 1.00 0.60 H new ATOM 0 HD22 ASN A 61 1.199 2.309 1.830 1.00 0.60 H new ATOM 1050 N ASN A 62 2.489 0.237 0.071 1.00 0.25 N ATOM 1051 CA ASN A 62 1.317 -0.574 -0.223 1.00 0.27 C ATOM 1052 C ASN A 62 1.642 -2.062 -0.150 1.00 0.22 C ATOM 1053 O ASN A 62 1.111 -2.776 0.675 1.00 0.20 O ATOM 1054 CB ASN A 62 0.811 -0.263 -1.629 1.00 0.32 C ATOM 1055 CG ASN A 62 -0.618 -0.678 -1.873 1.00 0.36 C ATOM 1056 OD1 ASN A 62 -1.304 -0.109 -2.713 1.00 0.77 O ATOM 1057 ND2 ASN A 62 -1.057 -1.684 -1.169 1.00 0.21 N ATOM 0 H ASN A 62 2.827 0.775 -0.727 1.00 0.25 H new ATOM 0 HA ASN A 62 0.556 -0.336 0.520 1.00 0.27 H new ATOM 0 HB2 ASN A 62 0.903 0.808 -1.808 1.00 0.32 H new ATOM 0 HB3 ASN A 62 1.453 -0.764 -2.354 1.00 0.32 H new ATOM 0 HD21 ASN A 62 -2.007 -2.027 -1.308 1.00 0.21 H new ATOM 0 HD22 ASN A 62 -0.450 -2.128 -0.480 1.00 0.21 H new ATOM 1064 N ALA A 63 2.517 -2.532 -1.027 1.00 0.20 N ATOM 1065 CA ALA A 63 2.744 -3.970 -1.173 1.00 0.18 C ATOM 1066 C ALA A 63 3.271 -4.614 0.114 1.00 0.14 C ATOM 1067 O ALA A 63 3.261 -5.836 0.253 1.00 0.14 O ATOM 1068 CB ALA A 63 3.696 -4.232 -2.324 1.00 0.19 C ATOM 0 H ALA A 63 3.079 -1.948 -1.646 1.00 0.20 H new ATOM 0 HA ALA A 63 1.779 -4.431 -1.386 1.00 0.18 H new ATOM 0 HB1 ALA A 63 3.859 -5.305 -2.425 1.00 0.19 H new ATOM 0 HB2 ALA A 63 3.267 -3.842 -3.247 1.00 0.19 H new ATOM 0 HB3 ALA A 63 4.648 -3.738 -2.129 1.00 0.19 H new ATOM 1074 N HIS A 64 3.714 -3.771 1.035 1.00 0.13 N ATOM 1075 CA HIS A 64 4.297 -4.192 2.305 1.00 0.11 C ATOM 1076 C HIS A 64 3.502 -5.311 2.995 1.00 0.13 C ATOM 1077 O HIS A 64 4.061 -6.357 3.319 1.00 0.20 O ATOM 1078 CB HIS A 64 4.446 -2.940 3.199 1.00 0.15 C ATOM 1079 CG HIS A 64 3.934 -3.046 4.610 1.00 0.37 C ATOM 1080 ND1 HIS A 64 2.671 -2.643 4.970 1.00 1.02 N ATOM 1081 CD2 HIS A 64 4.528 -3.471 5.750 1.00 1.02 C ATOM 1082 CE1 HIS A 64 2.505 -2.808 6.266 1.00 1.00 C ATOM 1083 NE2 HIS A 64 3.616 -3.312 6.764 1.00 0.96 N ATOM 0 H HIS A 64 3.679 -2.758 0.921 1.00 0.13 H new ATOM 0 HA HIS A 64 5.276 -4.634 2.117 1.00 0.11 H new ATOM 0 HB2 HIS A 64 5.503 -2.677 3.241 1.00 0.15 H new ATOM 0 HB3 HIS A 64 3.930 -2.112 2.712 1.00 0.15 H new ATOM 0 HD1 HIS A 64 1.968 -2.272 4.330 1.00 1.02 H new ATOM 0 HD2 HIS A 64 5.530 -3.862 5.844 1.00 1.02 H new ATOM 0 HE1 HIS A 64 1.612 -2.571 6.825 1.00 1.00 H new ATOM 1092 N ALA A 65 2.218 -5.096 3.235 1.00 0.14 N ATOM 1093 CA ALA A 65 1.431 -6.065 3.989 1.00 0.17 C ATOM 1094 C ALA A 65 0.742 -7.083 3.088 1.00 0.13 C ATOM 1095 O ALA A 65 0.708 -8.272 3.394 1.00 0.14 O ATOM 1096 CB ALA A 65 0.403 -5.351 4.851 1.00 0.25 C ATOM 0 H ALA A 65 1.703 -4.272 2.925 1.00 0.14 H new ATOM 0 HA ALA A 65 2.124 -6.614 4.626 1.00 0.17 H new ATOM 0 HB1 ALA A 65 -0.178 -6.086 5.409 1.00 0.25 H new ATOM 0 HB2 ALA A 65 0.912 -4.686 5.548 1.00 0.25 H new ATOM 0 HB3 ALA A 65 -0.264 -4.769 4.215 1.00 0.25 H new ATOM 1102 N ILE A 66 0.236 -6.603 1.964 1.00 0.13 N ATOM 1103 CA ILE A 66 -0.724 -7.342 1.134 1.00 0.12 C ATOM 1104 C ILE A 66 -0.257 -8.745 0.770 1.00 0.13 C ATOM 1105 O ILE A 66 -1.032 -9.698 0.818 1.00 0.21 O ATOM 1106 CB ILE A 66 -1.014 -6.602 -0.184 1.00 0.13 C ATOM 1107 CG1 ILE A 66 -0.551 -5.149 -0.121 1.00 0.14 C ATOM 1108 CG2 ILE A 66 -2.497 -6.668 -0.492 1.00 0.13 C ATOM 1109 CD1 ILE A 66 -1.310 -4.300 0.865 1.00 0.14 C ATOM 0 H ILE A 66 0.476 -5.684 1.592 1.00 0.13 H new ATOM 0 HA ILE A 66 -1.620 -7.415 1.750 1.00 0.12 H new ATOM 0 HB ILE A 66 -0.456 -7.093 -0.981 1.00 0.13 H new ATOM 0 HG12 ILE A 66 0.508 -5.128 0.138 1.00 0.14 H new ATOM 0 HG13 ILE A 66 -0.645 -4.706 -1.113 1.00 0.14 H new ATOM 0 HG21 ILE A 66 -2.698 -6.143 -1.426 1.00 0.13 H new ATOM 0 HG22 ILE A 66 -2.803 -7.710 -0.588 1.00 0.13 H new ATOM 0 HG23 ILE A 66 -3.058 -6.199 0.316 1.00 0.13 H new ATOM 0 HD11 ILE A 66 -0.918 -3.283 0.847 1.00 0.14 H new ATOM 0 HD12 ILE A 66 -2.366 -4.287 0.596 1.00 0.14 H new ATOM 0 HD13 ILE A 66 -1.195 -4.715 1.866 1.00 0.14 H new ATOM 1121 N LEU A 67 1.003 -8.855 0.386 1.00 0.12 N ATOM 1122 CA LEU A 67 1.554 -10.099 -0.149 1.00 0.14 C ATOM 1123 C LEU A 67 1.393 -11.258 0.831 1.00 0.16 C ATOM 1124 O LEU A 67 1.079 -12.382 0.439 1.00 0.21 O ATOM 1125 CB LEU A 67 3.033 -9.914 -0.469 1.00 0.15 C ATOM 1126 CG LEU A 67 3.398 -8.560 -1.069 1.00 0.14 C ATOM 1127 CD1 LEU A 67 4.879 -8.508 -1.387 1.00 0.16 C ATOM 1128 CD2 LEU A 67 2.558 -8.282 -2.308 1.00 0.16 C ATOM 0 H LEU A 67 1.676 -8.090 0.434 1.00 0.12 H new ATOM 0 HA LEU A 67 1.000 -10.341 -1.056 1.00 0.14 H new ATOM 0 HB2 LEU A 67 3.608 -10.056 0.446 1.00 0.15 H new ATOM 0 HB3 LEU A 67 3.340 -10.697 -1.163 1.00 0.15 H new ATOM 0 HG LEU A 67 3.182 -7.781 -0.337 1.00 0.14 H new ATOM 0 HD11 LEU A 67 5.125 -7.536 -1.815 1.00 0.16 H new ATOM 0 HD12 LEU A 67 5.453 -8.658 -0.473 1.00 0.16 H new ATOM 0 HD13 LEU A 67 5.125 -9.292 -2.103 1.00 0.16 H new ATOM 0 HD21 LEU A 67 2.832 -7.312 -2.723 1.00 0.16 H new ATOM 0 HD22 LEU A 67 2.738 -9.059 -3.051 1.00 0.16 H new ATOM 0 HD23 LEU A 67 1.502 -8.276 -2.038 1.00 0.16 H new ATOM 1140 N THR A 68 1.613 -10.973 2.098 1.00 0.15 N ATOM 1141 CA THR A 68 1.574 -11.996 3.128 1.00 0.18 C ATOM 1142 C THR A 68 0.275 -11.928 3.929 1.00 0.18 C ATOM 1143 O THR A 68 -0.158 -12.922 4.516 1.00 0.23 O ATOM 1144 CB THR A 68 2.792 -11.851 4.070 1.00 0.21 C ATOM 1145 OG1 THR A 68 2.652 -12.689 5.226 1.00 0.27 O ATOM 1146 CG2 THR A 68 2.975 -10.401 4.490 1.00 0.20 C ATOM 0 H THR A 68 1.822 -10.036 2.443 1.00 0.15 H new ATOM 0 HA THR A 68 1.615 -12.969 2.638 1.00 0.18 H new ATOM 0 HB THR A 68 3.678 -12.170 3.522 1.00 0.21 H new ATOM 0 HG1 THR A 68 1.767 -13.111 5.219 1.00 0.27 H new ATOM 0 HG21 THR A 68 3.837 -10.320 5.152 1.00 0.20 H new ATOM 0 HG22 THR A 68 3.137 -9.784 3.606 1.00 0.20 H new ATOM 0 HG23 THR A 68 2.082 -10.058 5.013 1.00 0.20 H new ATOM 1154 N ASP A 69 -0.356 -10.763 3.926 1.00 0.17 N ATOM 1155 CA ASP A 69 -1.543 -10.537 4.735 1.00 0.19 C ATOM 1156 C ASP A 69 -2.812 -10.713 3.905 1.00 0.17 C ATOM 1157 O ASP A 69 -3.078 -9.934 2.984 1.00 0.19 O ATOM 1158 CB ASP A 69 -1.509 -9.130 5.323 1.00 0.21 C ATOM 1159 CG ASP A 69 -2.432 -8.973 6.509 1.00 0.27 C ATOM 1160 OD1 ASP A 69 -3.652 -9.152 6.344 1.00 0.28 O ATOM 1161 OD2 ASP A 69 -1.942 -8.628 7.609 1.00 0.58 O ATOM 0 H ASP A 69 -0.064 -9.958 3.371 1.00 0.17 H new ATOM 0 HA ASP A 69 -1.551 -11.271 5.540 1.00 0.19 H new ATOM 0 HB2 ASP A 69 -0.490 -8.892 5.627 1.00 0.21 H new ATOM 0 HB3 ASP A 69 -1.788 -8.411 4.552 1.00 0.21 H new ATOM 1166 N ALA A 70 -3.596 -11.727 4.248 1.00 0.19 N ATOM 1167 CA ALA A 70 -4.837 -12.025 3.537 1.00 0.21 C ATOM 1168 C ALA A 70 -5.862 -10.919 3.720 1.00 0.18 C ATOM 1169 O ALA A 70 -6.712 -10.707 2.857 1.00 0.19 O ATOM 1170 CB ALA A 70 -5.415 -13.349 4.008 1.00 0.27 C ATOM 0 H ALA A 70 -3.394 -12.362 5.020 1.00 0.19 H new ATOM 0 HA ALA A 70 -4.599 -12.095 2.476 1.00 0.21 H new ATOM 0 HB1 ALA A 70 -6.339 -13.555 3.468 1.00 0.27 H new ATOM 0 HB2 ALA A 70 -4.698 -14.147 3.818 1.00 0.27 H new ATOM 0 HB3 ALA A 70 -5.623 -13.295 5.077 1.00 0.27 H new ATOM 1176 N THR A 71 -5.781 -10.212 4.836 1.00 0.17 N ATOM 1177 CA THR A 71 -6.693 -9.118 5.099 1.00 0.17 C ATOM 1178 C THR A 71 -6.449 -7.978 4.121 1.00 0.14 C ATOM 1179 O THR A 71 -7.371 -7.489 3.480 1.00 0.15 O ATOM 1180 CB THR A 71 -6.549 -8.600 6.539 1.00 0.20 C ATOM 1181 OG1 THR A 71 -6.824 -9.656 7.470 1.00 0.25 O ATOM 1182 CG2 THR A 71 -7.487 -7.431 6.792 1.00 0.21 C ATOM 0 H THR A 71 -5.093 -10.378 5.571 1.00 0.17 H new ATOM 0 HA THR A 71 -7.707 -9.497 4.970 1.00 0.17 H new ATOM 0 HB THR A 71 -5.524 -8.255 6.677 1.00 0.20 H new ATOM 0 HG1 THR A 71 -6.728 -9.318 8.385 1.00 0.25 H new ATOM 0 HG21 THR A 71 -7.366 -7.083 7.818 1.00 0.21 H new ATOM 0 HG22 THR A 71 -7.251 -6.620 6.103 1.00 0.21 H new ATOM 0 HG23 THR A 71 -8.517 -7.751 6.637 1.00 0.21 H new ATOM 1190 N LYS A 72 -5.198 -7.574 3.987 1.00 0.13 N ATOM 1191 CA LYS A 72 -4.841 -6.508 3.077 1.00 0.13 C ATOM 1192 C LYS A 72 -5.111 -6.928 1.648 1.00 0.12 C ATOM 1193 O LYS A 72 -5.557 -6.130 0.837 1.00 0.13 O ATOM 1194 CB LYS A 72 -3.376 -6.116 3.250 1.00 0.15 C ATOM 1195 CG LYS A 72 -3.102 -5.307 4.508 1.00 0.17 C ATOM 1196 CD LYS A 72 -3.395 -6.091 5.773 1.00 0.17 C ATOM 1197 CE LYS A 72 -3.037 -5.315 7.024 1.00 0.24 C ATOM 1198 NZ LYS A 72 -3.071 -6.180 8.235 1.00 0.71 N ATOM 0 H LYS A 72 -4.412 -7.972 4.501 1.00 0.13 H new ATOM 0 HA LYS A 72 -5.455 -5.638 3.308 1.00 0.13 H new ATOM 0 HB2 LYS A 72 -2.768 -7.020 3.271 1.00 0.15 H new ATOM 0 HB3 LYS A 72 -3.059 -5.539 2.382 1.00 0.15 H new ATOM 0 HG2 LYS A 72 -2.059 -4.990 4.513 1.00 0.17 H new ATOM 0 HG3 LYS A 72 -3.710 -4.402 4.495 1.00 0.17 H new ATOM 0 HD2 LYS A 72 -4.453 -6.352 5.800 1.00 0.17 H new ATOM 0 HD3 LYS A 72 -2.836 -7.027 5.756 1.00 0.17 H new ATOM 0 HE2 LYS A 72 -2.042 -4.883 6.913 1.00 0.24 H new ATOM 0 HE3 LYS A 72 -3.733 -4.485 7.149 1.00 0.24 H new ATOM 0 HZ1 LYS A 72 -2.708 -5.648 9.052 1.00 0.71 H new ATOM 0 HZ2 LYS A 72 -4.050 -6.476 8.423 1.00 0.71 H new ATOM 0 HZ3 LYS A 72 -2.479 -7.021 8.078 1.00 0.71 H new ATOM 1212 N ARG A 73 -4.855 -8.190 1.344 1.00 0.13 N ATOM 1213 CA ARG A 73 -5.150 -8.719 0.023 1.00 0.15 C ATOM 1214 C ARG A 73 -6.653 -8.722 -0.214 1.00 0.16 C ATOM 1215 O ARG A 73 -7.123 -8.631 -1.349 1.00 0.19 O ATOM 1216 CB ARG A 73 -4.584 -10.127 -0.115 1.00 0.18 C ATOM 1217 CG ARG A 73 -4.432 -10.580 -1.552 1.00 0.38 C ATOM 1218 CD ARG A 73 -3.598 -9.595 -2.359 1.00 0.47 C ATOM 1219 NE ARG A 73 -3.413 -10.057 -3.734 1.00 0.49 N ATOM 1220 CZ ARG A 73 -2.281 -9.945 -4.427 1.00 0.88 C ATOM 1221 NH1 ARG A 73 -1.194 -9.428 -3.869 1.00 1.45 N ATOM 1222 NH2 ARG A 73 -2.236 -10.382 -5.678 1.00 0.97 N ATOM 0 H ARG A 73 -4.446 -8.864 1.991 1.00 0.13 H new ATOM 0 HA ARG A 73 -4.682 -8.082 -0.728 1.00 0.15 H new ATOM 0 HB2 ARG A 73 -3.611 -10.168 0.375 1.00 0.18 H new ATOM 0 HB3 ARG A 73 -5.236 -10.825 0.410 1.00 0.18 H new ATOM 0 HG2 ARG A 73 -3.962 -11.563 -1.577 1.00 0.38 H new ATOM 0 HG3 ARG A 73 -5.416 -10.685 -2.008 1.00 0.38 H new ATOM 0 HD2 ARG A 73 -4.086 -8.620 -2.363 1.00 0.47 H new ATOM 0 HD3 ARG A 73 -2.626 -9.463 -1.884 1.00 0.47 H new ATOM 0 HE ARG A 73 -4.209 -10.497 -4.196 1.00 0.49 H new ATOM 0 HH11 ARG A 73 -1.220 -9.111 -2.900 1.00 1.45 H new ATOM 0 HH12 ARG A 73 -0.333 -9.347 -4.409 1.00 1.45 H new ATOM 0 HH21 ARG A 73 -3.064 -10.800 -6.102 1.00 0.97 H new ATOM 0 HH22 ARG A 73 -1.373 -10.300 -6.216 1.00 0.97 H new ATOM 1236 N ASN A 74 -7.397 -8.805 0.875 1.00 0.16 N ATOM 1237 CA ASN A 74 -8.847 -8.757 0.826 1.00 0.18 C ATOM 1238 C ASN A 74 -9.318 -7.347 0.517 1.00 0.17 C ATOM 1239 O ASN A 74 -10.286 -7.153 -0.222 1.00 0.23 O ATOM 1240 CB ASN A 74 -9.429 -9.251 2.151 1.00 0.21 C ATOM 1241 CG ASN A 74 -10.171 -10.563 2.013 1.00 0.31 C ATOM 1242 OD1 ASN A 74 -10.753 -10.857 0.969 1.00 0.57 O ATOM 1243 ND2 ASN A 74 -10.152 -11.364 3.067 1.00 0.43 N ATOM 0 H ASN A 74 -7.014 -8.907 1.815 1.00 0.16 H new ATOM 0 HA ASN A 74 -9.199 -9.412 0.029 1.00 0.18 H new ATOM 0 HB2 ASN A 74 -8.623 -9.369 2.875 1.00 0.21 H new ATOM 0 HB3 ASN A 74 -10.107 -8.496 2.549 1.00 0.21 H new ATOM 0 HD21 ASN A 74 -10.632 -12.263 3.033 1.00 0.43 H new ATOM 0 HD22 ASN A 74 -9.657 -11.082 3.913 1.00 0.43 H new ATOM 1250 N ILE A 75 -8.621 -6.363 1.072 1.00 0.13 N ATOM 1251 CA ILE A 75 -8.894 -4.972 0.747 1.00 0.13 C ATOM 1252 C ILE A 75 -8.376 -4.657 -0.646 1.00 0.14 C ATOM 1253 O ILE A 75 -9.043 -3.982 -1.403 1.00 0.15 O ATOM 1254 CB ILE A 75 -8.289 -3.973 1.776 1.00 0.14 C ATOM 1255 CG1 ILE A 75 -9.152 -3.905 3.041 1.00 0.18 C ATOM 1256 CG2 ILE A 75 -8.152 -2.573 1.166 1.00 0.17 C ATOM 1257 CD1 ILE A 75 -9.202 -5.189 3.837 1.00 0.20 C ATOM 0 H ILE A 75 -7.867 -6.503 1.745 1.00 0.13 H new ATOM 0 HA ILE A 75 -9.976 -4.845 0.785 1.00 0.13 H new ATOM 0 HB ILE A 75 -7.297 -4.336 2.045 1.00 0.14 H new ATOM 0 HG12 ILE A 75 -8.772 -3.110 3.682 1.00 0.18 H new ATOM 0 HG13 ILE A 75 -10.168 -3.628 2.758 1.00 0.18 H new ATOM 0 HG21 ILE A 75 -7.727 -1.894 1.905 1.00 0.17 H new ATOM 0 HG22 ILE A 75 -7.497 -2.618 0.296 1.00 0.17 H new ATOM 0 HG23 ILE A 75 -9.134 -2.211 0.863 1.00 0.17 H new ATOM 0 HD11 ILE A 75 -9.834 -5.049 4.714 1.00 0.20 H new ATOM 0 HD12 ILE A 75 -9.612 -5.986 3.217 1.00 0.20 H new ATOM 0 HD13 ILE A 75 -8.195 -5.459 4.155 1.00 0.20 H new ATOM 1269 N TYR A 76 -7.200 -5.189 -0.979 1.00 0.15 N ATOM 1270 CA TYR A 76 -6.584 -4.997 -2.296 1.00 0.18 C ATOM 1271 C TYR A 76 -7.582 -5.223 -3.429 1.00 0.19 C ATOM 1272 O TYR A 76 -7.622 -4.463 -4.398 1.00 0.26 O ATOM 1273 CB TYR A 76 -5.390 -5.948 -2.457 1.00 0.21 C ATOM 1274 CG TYR A 76 -5.098 -6.327 -3.897 1.00 0.22 C ATOM 1275 CD1 TYR A 76 -4.392 -5.476 -4.737 1.00 0.36 C ATOM 1276 CD2 TYR A 76 -5.556 -7.533 -4.421 1.00 0.28 C ATOM 1277 CE1 TYR A 76 -4.147 -5.819 -6.054 1.00 0.44 C ATOM 1278 CE2 TYR A 76 -5.318 -7.878 -5.735 1.00 0.36 C ATOM 1279 CZ TYR A 76 -4.614 -7.019 -6.548 1.00 0.41 C ATOM 1280 OH TYR A 76 -4.378 -7.358 -7.862 1.00 0.52 O ATOM 0 H TYR A 76 -6.646 -5.765 -0.345 1.00 0.15 H new ATOM 0 HA TYR A 76 -6.244 -3.963 -2.355 1.00 0.18 H new ATOM 0 HB2 TYR A 76 -4.504 -5.480 -2.028 1.00 0.21 H new ATOM 0 HB3 TYR A 76 -5.580 -6.855 -1.884 1.00 0.21 H new ATOM 0 HD1 TYR A 76 -4.029 -4.533 -4.356 1.00 0.36 H new ATOM 0 HD2 TYR A 76 -6.108 -8.211 -3.787 1.00 0.28 H new ATOM 0 HE1 TYR A 76 -3.592 -5.149 -6.694 1.00 0.44 H new ATOM 0 HE2 TYR A 76 -5.682 -8.817 -6.124 1.00 0.36 H new ATOM 0 HH TYR A 76 -4.773 -8.235 -8.049 1.00 0.52 H new ATOM 1290 N ASP A 77 -8.377 -6.274 -3.305 1.00 0.18 N ATOM 1291 CA ASP A 77 -9.348 -6.625 -4.336 1.00 0.22 C ATOM 1292 C ASP A 77 -10.462 -5.578 -4.438 1.00 0.22 C ATOM 1293 O ASP A 77 -11.175 -5.504 -5.440 1.00 0.30 O ATOM 1294 CB ASP A 77 -9.938 -8.007 -4.042 1.00 0.31 C ATOM 1295 CG ASP A 77 -10.987 -8.420 -5.051 1.00 1.00 C ATOM 1296 OD1 ASP A 77 -10.611 -8.773 -6.190 1.00 1.21 O ATOM 1297 OD2 ASP A 77 -12.189 -8.383 -4.713 1.00 1.74 O ATOM 0 H ASP A 77 -8.371 -6.901 -2.501 1.00 0.18 H new ATOM 0 HA ASP A 77 -8.832 -6.650 -5.296 1.00 0.22 H new ATOM 0 HB2 ASP A 77 -9.136 -8.746 -4.034 1.00 0.31 H new ATOM 0 HB3 ASP A 77 -10.379 -8.005 -3.045 1.00 0.31 H new ATOM 1302 N LYS A 78 -10.593 -4.759 -3.407 1.00 0.20 N ATOM 1303 CA LYS A 78 -11.614 -3.723 -3.367 1.00 0.21 C ATOM 1304 C LYS A 78 -10.975 -2.354 -3.562 1.00 0.20 C ATOM 1305 O LYS A 78 -11.273 -1.635 -4.515 1.00 0.24 O ATOM 1306 CB LYS A 78 -12.330 -3.760 -2.016 1.00 0.22 C ATOM 1307 CG LYS A 78 -13.004 -5.085 -1.713 1.00 0.29 C ATOM 1308 CD LYS A 78 -13.462 -5.152 -0.264 1.00 0.33 C ATOM 1309 CE LYS A 78 -14.449 -4.044 0.073 1.00 1.31 C ATOM 1310 NZ LYS A 78 -14.811 -4.045 1.513 1.00 1.92 N ATOM 0 H LYS A 78 -9.999 -4.792 -2.579 1.00 0.20 H new ATOM 0 HA LYS A 78 -12.332 -3.902 -4.167 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -11.609 -3.542 -1.228 1.00 0.22 H new ATOM 0 HB3 LYS A 78 -13.079 -2.969 -1.991 1.00 0.22 H new ATOM 0 HG2 LYS A 78 -13.860 -5.220 -2.374 1.00 0.29 H new ATOM 0 HG3 LYS A 78 -12.312 -5.902 -1.916 1.00 0.29 H new ATOM 0 HD2 LYS A 78 -13.925 -6.120 -0.074 1.00 0.33 H new ATOM 0 HD3 LYS A 78 -12.596 -5.079 0.394 1.00 0.33 H new ATOM 0 HE2 LYS A 78 -14.016 -3.079 -0.192 1.00 1.31 H new ATOM 0 HE3 LYS A 78 -15.350 -4.165 -0.528 1.00 1.31 H new ATOM 0 HZ1 LYS A 78 -15.485 -3.276 1.702 1.00 1.92 H new ATOM 0 HZ2 LYS A 78 -15.247 -4.956 1.761 1.00 1.92 H new ATOM 0 HZ3 LYS A 78 -13.955 -3.904 2.086 1.00 1.92 H new ATOM 1324 N TYR A 79 -10.088 -2.021 -2.643 1.00 0.18 N ATOM 1325 CA TYR A 79 -9.353 -0.776 -2.663 1.00 0.19 C ATOM 1326 C TYR A 79 -7.889 -1.052 -2.961 1.00 0.21 C ATOM 1327 O TYR A 79 -7.269 -1.879 -2.296 1.00 0.30 O ATOM 1328 CB TYR A 79 -9.458 -0.071 -1.314 1.00 0.23 C ATOM 1329 CG TYR A 79 -10.863 0.288 -0.891 1.00 0.34 C ATOM 1330 CD1 TYR A 79 -11.677 -0.643 -0.260 1.00 0.50 C ATOM 1331 CD2 TYR A 79 -11.382 1.551 -1.141 1.00 0.60 C ATOM 1332 CE1 TYR A 79 -12.969 -0.326 0.108 1.00 0.65 C ATOM 1333 CE2 TYR A 79 -12.671 1.876 -0.771 1.00 0.75 C ATOM 1334 CZ TYR A 79 -13.434 0.959 -0.080 1.00 0.72 C ATOM 1335 OH TYR A 79 -14.751 1.254 0.210 1.00 0.88 O ATOM 0 H TYR A 79 -9.856 -2.619 -1.850 1.00 0.18 H new ATOM 0 HA TYR A 79 -9.779 -0.136 -3.436 1.00 0.19 H new ATOM 0 HB2 TYR A 79 -9.017 -0.712 -0.550 1.00 0.23 H new ATOM 0 HB3 TYR A 79 -8.861 0.840 -1.349 1.00 0.23 H new ATOM 0 HD1 TYR A 79 -11.293 -1.631 -0.054 1.00 0.50 H new ATOM 0 HD2 TYR A 79 -10.767 2.291 -1.633 1.00 0.60 H new ATOM 0 HE1 TYR A 79 -13.611 -1.079 0.540 1.00 0.65 H new ATOM 0 HE2 TYR A 79 -13.080 2.844 -1.021 1.00 0.75 H new ATOM 0 HH TYR A 79 -14.922 2.201 0.025 1.00 0.88 H new ATOM 1345 N GLY A 80 -7.340 -0.381 -3.961 1.00 0.20 N ATOM 1346 CA GLY A 80 -5.919 -0.486 -4.216 1.00 0.25 C ATOM 1347 C GLY A 80 -5.105 0.241 -3.166 1.00 0.20 C ATOM 1348 O GLY A 80 -5.278 0.022 -1.967 1.00 0.22 O ATOM 0 H GLY A 80 -7.850 0.232 -4.598 1.00 0.20 H new ATOM 0 HA2 GLY A 80 -5.630 -1.537 -4.237 1.00 0.25 H new ATOM 0 HA3 GLY A 80 -5.695 -0.074 -5.200 1.00 0.25 H new ATOM 1352 N SER A 81 -4.252 1.141 -3.614 1.00 0.23 N ATOM 1353 CA SER A 81 -3.323 1.827 -2.730 1.00 0.25 C ATOM 1354 C SER A 81 -4.022 2.591 -1.606 1.00 0.23 C ATOM 1355 O SER A 81 -3.509 2.651 -0.504 1.00 0.25 O ATOM 1356 CB SER A 81 -2.440 2.762 -3.557 1.00 0.34 C ATOM 1357 OG SER A 81 -1.682 2.021 -4.494 1.00 0.41 O ATOM 0 H SER A 81 -4.181 1.418 -4.593 1.00 0.23 H new ATOM 0 HA SER A 81 -2.709 1.070 -2.241 1.00 0.25 H new ATOM 0 HB2 SER A 81 -3.059 3.493 -4.077 1.00 0.34 H new ATOM 0 HB3 SER A 81 -1.773 3.320 -2.899 1.00 0.34 H new ATOM 0 HG SER A 81 -1.405 1.171 -4.092 1.00 0.41 H new ATOM 1363 N LEU A 82 -5.188 3.168 -1.872 1.00 0.23 N ATOM 1364 CA LEU A 82 -5.856 3.994 -0.861 1.00 0.25 C ATOM 1365 C LEU A 82 -6.369 3.172 0.302 1.00 0.22 C ATOM 1366 O LEU A 82 -5.909 3.354 1.426 1.00 0.23 O ATOM 1367 CB LEU A 82 -7.002 4.819 -1.440 1.00 0.29 C ATOM 1368 CG LEU A 82 -7.767 5.633 -0.389 1.00 0.42 C ATOM 1369 CD1 LEU A 82 -6.815 6.505 0.418 1.00 0.62 C ATOM 1370 CD2 LEU A 82 -8.834 6.488 -1.038 1.00 0.69 C ATOM 0 H LEU A 82 -5.686 3.085 -2.758 1.00 0.23 H new ATOM 0 HA LEU A 82 -5.089 4.678 -0.498 1.00 0.25 H new ATOM 0 HB2 LEU A 82 -6.604 5.498 -2.194 1.00 0.29 H new ATOM 0 HB3 LEU A 82 -7.698 4.152 -1.948 1.00 0.29 H new ATOM 0 HG LEU A 82 -8.253 4.930 0.288 1.00 0.42 H new ATOM 0 HD11 LEU A 82 -7.380 7.073 1.157 1.00 0.62 H new ATOM 0 HD12 LEU A 82 -6.085 5.874 0.926 1.00 0.62 H new ATOM 0 HD13 LEU A 82 -6.297 7.193 -0.250 1.00 0.62 H new ATOM 0 HD21 LEU A 82 -9.362 7.055 -0.271 1.00 0.69 H new ATOM 0 HD22 LEU A 82 -8.369 7.177 -1.743 1.00 0.69 H new ATOM 0 HD23 LEU A 82 -9.540 5.849 -1.567 1.00 0.69 H new ATOM 1382 N GLY A 83 -7.327 2.289 0.039 1.00 0.23 N ATOM 1383 CA GLY A 83 -7.887 1.481 1.094 1.00 0.23 C ATOM 1384 C GLY A 83 -6.814 0.756 1.856 1.00 0.21 C ATOM 1385 O GLY A 83 -6.899 0.605 3.059 1.00 0.23 O ATOM 0 H GLY A 83 -7.722 2.122 -0.887 1.00 0.23 H new ATOM 0 HA2 GLY A 83 -8.456 2.113 1.776 1.00 0.23 H new ATOM 0 HA3 GLY A 83 -8.586 0.759 0.670 1.00 0.23 H new ATOM 1389 N LEU A 84 -5.774 0.356 1.153 1.00 0.20 N ATOM 1390 CA LEU A 84 -4.659 -0.328 1.782 1.00 0.20 C ATOM 1391 C LEU A 84 -3.779 0.627 2.576 1.00 0.21 C ATOM 1392 O LEU A 84 -3.420 0.330 3.706 1.00 0.23 O ATOM 1393 CB LEU A 84 -3.856 -1.079 0.735 1.00 0.20 C ATOM 1394 CG LEU A 84 -4.526 -2.365 0.276 1.00 0.25 C ATOM 1395 CD1 LEU A 84 -3.816 -2.955 -0.927 1.00 0.24 C ATOM 1396 CD2 LEU A 84 -4.555 -3.344 1.435 1.00 0.30 C ATOM 0 H LEU A 84 -5.676 0.492 0.147 1.00 0.20 H new ATOM 0 HA LEU A 84 -5.062 -1.046 2.497 1.00 0.20 H new ATOM 0 HB2 LEU A 84 -3.699 -0.431 -0.127 1.00 0.20 H new ATOM 0 HB3 LEU A 84 -2.872 -1.314 1.141 1.00 0.20 H new ATOM 0 HG LEU A 84 -5.547 -2.148 -0.037 1.00 0.25 H new ATOM 0 HD11 LEU A 84 -4.318 -3.873 -1.232 1.00 0.24 H new ATOM 0 HD12 LEU A 84 -3.838 -2.240 -1.749 1.00 0.24 H new ATOM 0 HD13 LEU A 84 -2.781 -3.177 -0.666 1.00 0.24 H new ATOM 0 HD21 LEU A 84 -5.034 -4.270 1.117 1.00 0.30 H new ATOM 0 HD22 LEU A 84 -3.536 -3.555 1.759 1.00 0.30 H new ATOM 0 HD23 LEU A 84 -5.117 -2.911 2.263 1.00 0.30 H new ATOM 1408 N TYR A 85 -3.468 1.781 2.009 1.00 0.21 N ATOM 1409 CA TYR A 85 -2.653 2.782 2.696 1.00 0.23 C ATOM 1410 C TYR A 85 -3.206 3.070 4.090 1.00 0.24 C ATOM 1411 O TYR A 85 -2.459 3.325 5.033 1.00 0.26 O ATOM 1412 CB TYR A 85 -2.580 4.063 1.844 1.00 0.25 C ATOM 1413 CG TYR A 85 -2.911 5.354 2.565 1.00 0.29 C ATOM 1414 CD1 TYR A 85 -4.226 5.778 2.705 1.00 0.28 C ATOM 1415 CD2 TYR A 85 -1.906 6.134 3.126 1.00 0.38 C ATOM 1416 CE1 TYR A 85 -4.529 6.941 3.383 1.00 0.37 C ATOM 1417 CE2 TYR A 85 -2.202 7.302 3.801 1.00 0.45 C ATOM 1418 CZ TYR A 85 -3.519 7.744 3.847 1.00 0.44 C ATOM 1419 OH TYR A 85 -3.817 8.856 4.614 1.00 0.52 O ATOM 0 H TYR A 85 -3.766 2.053 1.072 1.00 0.21 H new ATOM 0 HA TYR A 85 -1.643 2.393 2.824 1.00 0.23 H new ATOM 0 HB2 TYR A 85 -1.574 4.146 1.433 1.00 0.25 H new ATOM 0 HB3 TYR A 85 -3.262 3.955 1.000 1.00 0.25 H new ATOM 0 HD1 TYR A 85 -5.023 5.189 2.277 1.00 0.28 H new ATOM 0 HD2 TYR A 85 -0.877 5.821 3.032 1.00 0.38 H new ATOM 0 HE1 TYR A 85 -5.560 7.218 3.548 1.00 0.37 H new ATOM 0 HE2 TYR A 85 -1.419 7.865 4.287 1.00 0.45 H new ATOM 0 HH TYR A 85 -2.987 9.314 4.862 1.00 0.52 H new ATOM 1429 N VAL A 86 -4.521 3.031 4.207 1.00 0.23 N ATOM 1430 CA VAL A 86 -5.173 3.228 5.488 1.00 0.25 C ATOM 1431 C VAL A 86 -5.404 1.893 6.232 1.00 0.24 C ATOM 1432 O VAL A 86 -5.138 1.792 7.433 1.00 0.27 O ATOM 1433 CB VAL A 86 -6.495 4.024 5.306 1.00 0.28 C ATOM 1434 CG1 VAL A 86 -7.291 3.512 4.119 1.00 0.26 C ATOM 1435 CG2 VAL A 86 -7.343 3.981 6.559 1.00 0.32 C ATOM 0 H VAL A 86 -5.159 2.864 3.429 1.00 0.23 H new ATOM 0 HA VAL A 86 -4.506 3.818 6.116 1.00 0.25 H new ATOM 0 HB VAL A 86 -6.219 5.061 5.113 1.00 0.28 H new ATOM 0 HG11 VAL A 86 -8.210 4.090 4.020 1.00 0.26 H new ATOM 0 HG12 VAL A 86 -6.697 3.616 3.211 1.00 0.26 H new ATOM 0 HG13 VAL A 86 -7.538 2.462 4.273 1.00 0.26 H new ATOM 0 HG21 VAL A 86 -8.260 4.548 6.397 1.00 0.32 H new ATOM 0 HG22 VAL A 86 -7.592 2.946 6.794 1.00 0.32 H new ATOM 0 HG23 VAL A 86 -6.788 4.418 7.389 1.00 0.32 H new ATOM 1445 N ALA A 87 -5.863 0.865 5.522 1.00 0.23 N ATOM 1446 CA ALA A 87 -6.192 -0.422 6.148 1.00 0.24 C ATOM 1447 C ALA A 87 -4.963 -1.223 6.533 1.00 0.22 C ATOM 1448 O ALA A 87 -4.891 -1.778 7.625 1.00 0.24 O ATOM 1449 CB ALA A 87 -7.038 -1.275 5.228 1.00 0.25 C ATOM 0 H ALA A 87 -6.017 0.894 4.514 1.00 0.23 H new ATOM 0 HA ALA A 87 -6.744 -0.172 7.054 1.00 0.24 H new ATOM 0 HB1 ALA A 87 -7.266 -2.222 5.717 1.00 0.25 H new ATOM 0 HB2 ALA A 87 -7.966 -0.752 4.998 1.00 0.25 H new ATOM 0 HB3 ALA A 87 -6.491 -1.467 4.305 1.00 0.25 H new ATOM 1455 N GLU A 88 -4.007 -1.300 5.634 1.00 0.20 N ATOM 1456 CA GLU A 88 -2.860 -2.162 5.833 1.00 0.21 C ATOM 1457 C GLU A 88 -1.970 -1.596 6.932 1.00 0.20 C ATOM 1458 O GLU A 88 -1.244 -2.327 7.609 1.00 0.25 O ATOM 1459 CB GLU A 88 -2.073 -2.309 4.530 1.00 0.21 C ATOM 1460 CG GLU A 88 -1.004 -1.261 4.354 1.00 0.25 C ATOM 1461 CD GLU A 88 -0.146 -1.528 3.160 1.00 0.86 C ATOM 1462 OE1 GLU A 88 0.779 -2.361 3.285 1.00 1.24 O ATOM 1463 OE2 GLU A 88 -0.392 -0.915 2.109 1.00 1.28 O ATOM 0 H GLU A 88 -4.000 -0.777 4.758 1.00 0.20 H new ATOM 0 HA GLU A 88 -3.208 -3.149 6.137 1.00 0.21 H new ATOM 0 HB2 GLU A 88 -1.612 -3.296 4.503 1.00 0.21 H new ATOM 0 HB3 GLU A 88 -2.764 -2.257 3.689 1.00 0.21 H new ATOM 0 HG2 GLU A 88 -1.471 -0.281 4.253 1.00 0.25 H new ATOM 0 HG3 GLU A 88 -0.381 -1.226 5.247 1.00 0.25 H new ATOM 1470 N GLN A 89 -2.050 -0.287 7.106 1.00 0.22 N ATOM 1471 CA GLN A 89 -1.226 0.406 8.072 1.00 0.24 C ATOM 1472 C GLN A 89 -1.929 0.505 9.424 1.00 0.29 C ATOM 1473 O GLN A 89 -1.299 0.327 10.469 1.00 0.36 O ATOM 1474 CB GLN A 89 -0.877 1.797 7.546 1.00 0.25 C ATOM 1475 CG GLN A 89 -0.025 1.773 6.283 1.00 0.27 C ATOM 1476 CD GLN A 89 1.412 1.352 6.550 1.00 0.32 C ATOM 1477 OE1 GLN A 89 1.949 1.601 7.629 1.00 0.35 O ATOM 1478 NE2 GLN A 89 2.051 0.714 5.573 1.00 0.38 N ATOM 0 H GLN A 89 -2.684 0.318 6.584 1.00 0.22 H new ATOM 0 HA GLN A 89 -0.308 -0.163 8.217 1.00 0.24 H new ATOM 0 HB2 GLN A 89 -1.799 2.342 7.343 1.00 0.25 H new ATOM 0 HB3 GLN A 89 -0.346 2.348 8.322 1.00 0.25 H new ATOM 0 HG2 GLN A 89 -0.471 1.088 5.562 1.00 0.27 H new ATOM 0 HG3 GLN A 89 -0.030 2.763 5.828 1.00 0.27 H new ATOM 0 HE21 GLN A 89 1.575 0.524 4.691 1.00 0.38 H new ATOM 0 HE22 GLN A 89 3.017 0.415 5.706 1.00 0.38 H new ATOM 1487 N PHE A 90 -3.236 0.768 9.408 1.00 0.29 N ATOM 1488 CA PHE A 90 -3.981 0.975 10.650 1.00 0.34 C ATOM 1489 C PHE A 90 -5.171 0.027 10.787 1.00 0.37 C ATOM 1490 O PHE A 90 -5.439 -0.477 11.876 1.00 0.43 O ATOM 1491 CB PHE A 90 -4.462 2.420 10.747 1.00 0.37 C ATOM 1492 CG PHE A 90 -3.348 3.418 10.864 1.00 0.42 C ATOM 1493 CD1 PHE A 90 -2.730 3.646 12.084 1.00 0.55 C ATOM 1494 CD2 PHE A 90 -2.924 4.135 9.758 1.00 0.43 C ATOM 1495 CE1 PHE A 90 -1.712 4.572 12.197 1.00 0.64 C ATOM 1496 CE2 PHE A 90 -1.905 5.061 9.866 1.00 0.53 C ATOM 1497 CZ PHE A 90 -1.272 5.253 11.075 1.00 0.62 C ATOM 0 H PHE A 90 -3.796 0.842 8.559 1.00 0.29 H new ATOM 0 HA PHE A 90 -3.294 0.758 11.468 1.00 0.34 H new ATOM 0 HB2 PHE A 90 -5.058 2.655 9.865 1.00 0.37 H new ATOM 0 HB3 PHE A 90 -5.119 2.518 11.611 1.00 0.37 H new ATOM 0 HD1 PHE A 90 -3.048 3.093 12.956 1.00 0.55 H new ATOM 0 HD2 PHE A 90 -3.395 3.968 8.801 1.00 0.43 H new ATOM 0 HE1 PHE A 90 -1.260 4.765 13.159 1.00 0.64 H new ATOM 0 HE2 PHE A 90 -1.604 5.635 9.002 1.00 0.53 H new ATOM 0 HZ PHE A 90 -0.436 5.932 11.147 1.00 0.62 H new ATOM 1507 N GLY A 91 -5.900 -0.207 9.707 1.00 0.36 N ATOM 1508 CA GLY A 91 -7.001 -1.152 9.768 1.00 0.41 C ATOM 1509 C GLY A 91 -8.255 -0.654 9.087 1.00 0.43 C ATOM 1510 O GLY A 91 -8.854 0.336 9.509 1.00 0.51 O ATOM 0 H GLY A 91 -5.754 0.233 8.798 1.00 0.36 H new ATOM 0 HA2 GLY A 91 -6.692 -2.089 9.305 1.00 0.41 H new ATOM 0 HA3 GLY A 91 -7.225 -1.371 10.812 1.00 0.41 H new ATOM 1514 N GLU A 92 -8.671 -1.373 8.060 1.00 0.43 N ATOM 1515 CA GLU A 92 -9.831 -1.012 7.253 1.00 0.47 C ATOM 1516 C GLU A 92 -11.077 -0.911 8.122 1.00 0.54 C ATOM 1517 O GLU A 92 -11.971 -0.099 7.873 1.00 0.63 O ATOM 1518 CB GLU A 92 -10.024 -2.078 6.173 1.00 0.50 C ATOM 1519 CG GLU A 92 -11.043 -1.728 5.101 1.00 0.92 C ATOM 1520 CD GLU A 92 -10.607 -0.600 4.189 1.00 1.83 C ATOM 1521 OE1 GLU A 92 -9.721 0.180 4.608 1.00 2.69 O ATOM 1522 OE2 GLU A 92 -11.136 -0.492 3.066 1.00 2.23 O ATOM 0 H GLU A 92 -8.212 -2.232 7.757 1.00 0.43 H new ATOM 0 HA GLU A 92 -9.666 -0.039 6.790 1.00 0.47 H new ATOM 0 HB2 GLU A 92 -9.064 -2.266 5.693 1.00 0.50 H new ATOM 0 HB3 GLU A 92 -10.328 -3.009 6.652 1.00 0.50 H new ATOM 0 HG2 GLU A 92 -11.241 -2.614 4.498 1.00 0.92 H new ATOM 0 HG3 GLU A 92 -11.982 -1.452 5.581 1.00 0.92 H new ATOM 1529 N GLU A 93 -11.110 -1.726 9.159 1.00 0.57 N ATOM 1530 CA GLU A 93 -12.253 -1.795 10.047 1.00 0.66 C ATOM 1531 C GLU A 93 -12.435 -0.510 10.859 1.00 0.68 C ATOM 1532 O GLU A 93 -13.559 -0.050 11.049 1.00 0.79 O ATOM 1533 CB GLU A 93 -12.105 -2.995 10.982 1.00 0.70 C ATOM 1534 CG GLU A 93 -10.833 -2.972 11.817 1.00 0.68 C ATOM 1535 CD GLU A 93 -10.722 -4.169 12.734 1.00 1.00 C ATOM 1536 OE1 GLU A 93 -10.188 -5.209 12.296 1.00 1.19 O ATOM 1537 OE2 GLU A 93 -11.158 -4.079 13.900 1.00 1.33 O ATOM 0 H GLU A 93 -10.348 -2.356 9.408 1.00 0.57 H new ATOM 0 HA GLU A 93 -13.145 -1.913 9.431 1.00 0.66 H new ATOM 0 HB2 GLU A 93 -12.966 -3.031 11.650 1.00 0.70 H new ATOM 0 HB3 GLU A 93 -12.122 -3.910 10.389 1.00 0.70 H new ATOM 0 HG2 GLU A 93 -9.968 -2.944 11.155 1.00 0.68 H new ATOM 0 HG3 GLU A 93 -10.809 -2.059 12.412 1.00 0.68 H new ATOM 1544 N ASN A 94 -11.334 0.076 11.315 1.00 0.61 N ATOM 1545 CA ASN A 94 -11.412 1.182 12.267 1.00 0.64 C ATOM 1546 C ASN A 94 -11.228 2.551 11.629 1.00 0.65 C ATOM 1547 O ASN A 94 -12.014 3.460 11.870 1.00 0.81 O ATOM 1548 CB ASN A 94 -10.404 1.002 13.415 1.00 0.63 C ATOM 1549 CG ASN A 94 -9.214 0.138 13.040 1.00 0.78 C ATOM 1550 OD1 ASN A 94 -9.213 -1.064 13.278 1.00 1.65 O ATOM 1551 ND2 ASN A 94 -8.191 0.733 12.456 1.00 0.70 N ATOM 0 H ASN A 94 -10.387 -0.191 11.046 1.00 0.61 H new ATOM 0 HA ASN A 94 -12.427 1.150 12.664 1.00 0.64 H new ATOM 0 HB2 ASN A 94 -10.047 1.982 13.733 1.00 0.63 H new ATOM 0 HB3 ASN A 94 -10.913 0.556 14.269 1.00 0.63 H new ATOM 0 HD21 ASN A 94 -7.370 0.190 12.189 1.00 0.70 H new ATOM 0 HD22 ASN A 94 -8.222 1.736 12.271 1.00 0.70 H new ATOM 1558 N VAL A 95 -10.196 2.717 10.831 1.00 0.54 N ATOM 1559 CA VAL A 95 -9.865 4.045 10.326 1.00 0.58 C ATOM 1560 C VAL A 95 -10.538 4.354 8.993 1.00 0.62 C ATOM 1561 O VAL A 95 -10.821 5.514 8.696 1.00 0.76 O ATOM 1562 CB VAL A 95 -8.348 4.237 10.210 1.00 0.57 C ATOM 1563 CG1 VAL A 95 -7.741 4.531 11.571 1.00 0.69 C ATOM 1564 CG2 VAL A 95 -7.718 3.002 9.613 1.00 0.49 C ATOM 0 H VAL A 95 -9.577 1.969 10.518 1.00 0.54 H new ATOM 0 HA VAL A 95 -10.255 4.752 11.059 1.00 0.58 H new ATOM 0 HB VAL A 95 -8.153 5.087 9.557 1.00 0.57 H new ATOM 0 HG11 VAL A 95 -6.664 4.664 11.468 1.00 0.69 H new ATOM 0 HG12 VAL A 95 -8.182 5.441 11.977 1.00 0.69 H new ATOM 0 HG13 VAL A 95 -7.941 3.699 12.246 1.00 0.69 H new ATOM 0 HG21 VAL A 95 -6.640 3.145 9.534 1.00 0.49 H new ATOM 0 HG22 VAL A 95 -7.924 2.143 10.252 1.00 0.49 H new ATOM 0 HG23 VAL A 95 -8.134 2.824 8.622 1.00 0.49 H new ATOM 1574 N ASN A 96 -10.813 3.332 8.193 1.00 0.57 N ATOM 1575 CA ASN A 96 -11.471 3.552 6.906 1.00 0.68 C ATOM 1576 C ASN A 96 -12.930 3.897 7.133 1.00 0.85 C ATOM 1577 O ASN A 96 -13.530 4.651 6.372 1.00 1.03 O ATOM 1578 CB ASN A 96 -11.386 2.315 6.017 1.00 0.69 C ATOM 1579 CG ASN A 96 -11.724 2.615 4.563 1.00 0.97 C ATOM 1580 OD1 ASN A 96 -12.895 2.674 4.182 1.00 1.85 O ATOM 1581 ND2 ASN A 96 -10.699 2.759 3.736 1.00 0.66 N ATOM 0 H ASN A 96 -10.596 2.358 8.404 1.00 0.57 H new ATOM 0 HA ASN A 96 -10.960 4.374 6.405 1.00 0.68 H new ATOM 0 HB2 ASN A 96 -10.380 1.899 6.074 1.00 0.69 H new ATOM 0 HB3 ASN A 96 -12.068 1.553 6.395 1.00 0.69 H new ATOM 0 HD21 ASN A 96 -10.864 2.926 2.743 1.00 0.66 H new ATOM 0 HD22 ASN A 96 -9.745 2.703 4.092 1.00 0.66 H new ATOM 1588 N THR A 97 -13.493 3.349 8.202 1.00 0.85 N ATOM 1589 CA THR A 97 -14.884 3.598 8.536 1.00 1.05 C ATOM 1590 C THR A 97 -15.067 5.053 8.977 1.00 1.15 C ATOM 1591 O THR A 97 -16.181 5.578 8.990 1.00 1.33 O ATOM 1592 CB THR A 97 -15.384 2.634 9.641 1.00 1.09 C ATOM 1593 OG1 THR A 97 -16.818 2.602 9.660 1.00 1.33 O ATOM 1594 CG2 THR A 97 -14.882 3.050 11.014 1.00 1.08 C ATOM 0 H THR A 97 -13.006 2.730 8.850 1.00 0.85 H new ATOM 0 HA THR A 97 -15.481 3.417 7.643 1.00 1.05 H new ATOM 0 HB THR A 97 -14.991 1.644 9.411 1.00 1.09 H new ATOM 0 HG1 THR A 97 -17.166 3.517 9.608 1.00 1.33 H new ATOM 0 HG21 THR A 97 -15.252 2.351 11.764 1.00 1.08 H new ATOM 0 HG22 THR A 97 -13.792 3.045 11.020 1.00 1.08 H new ATOM 0 HG23 THR A 97 -15.241 4.053 11.244 1.00 1.08 H new ATOM 1602 N TYR A 98 -13.958 5.698 9.334 1.00 1.07 N ATOM 1603 CA TYR A 98 -13.981 7.104 9.707 1.00 1.22 C ATOM 1604 C TYR A 98 -13.605 7.971 8.514 1.00 1.24 C ATOM 1605 O TYR A 98 -14.242 8.997 8.269 1.00 1.41 O ATOM 1606 CB TYR A 98 -13.029 7.370 10.875 1.00 1.27 C ATOM 1607 CG TYR A 98 -12.984 8.823 11.295 1.00 1.63 C ATOM 1608 CD1 TYR A 98 -14.076 9.426 11.905 1.00 1.80 C ATOM 1609 CD2 TYR A 98 -11.843 9.586 11.091 1.00 1.99 C ATOM 1610 CE1 TYR A 98 -14.032 10.750 12.299 1.00 2.16 C ATOM 1611 CE2 TYR A 98 -11.792 10.910 11.481 1.00 2.45 C ATOM 1612 CZ TYR A 98 -12.916 11.500 12.047 1.00 2.47 C ATOM 1613 OH TYR A 98 -12.837 12.809 12.477 1.00 2.92 O ATOM 0 H TYR A 98 -13.035 5.266 9.372 1.00 1.07 H new ATOM 0 HA TYR A 98 -14.992 7.359 10.023 1.00 1.22 H new ATOM 0 HB2 TYR A 98 -13.333 6.762 11.727 1.00 1.27 H new ATOM 0 HB3 TYR A 98 -12.025 7.049 10.596 1.00 1.27 H new ATOM 0 HD1 TYR A 98 -14.974 8.851 12.074 1.00 1.80 H new ATOM 0 HD2 TYR A 98 -10.981 9.137 10.620 1.00 1.99 H new ATOM 0 HE1 TYR A 98 -14.878 11.192 12.805 1.00 2.16 H new ATOM 0 HE2 TYR A 98 -10.886 11.482 11.347 1.00 2.45 H new ATOM 0 HH TYR A 98 -11.973 13.189 12.212 1.00 2.92 H new ATOM 1623 N PHE A 99 -12.579 7.523 7.776 1.00 1.23 N ATOM 1624 CA PHE A 99 -12.066 8.184 6.580 1.00 1.37 C ATOM 1625 C PHE A 99 -11.917 9.704 6.731 1.00 1.73 C ATOM 1626 O PHE A 99 -11.920 10.239 7.842 1.00 2.11 O ATOM 1627 CB PHE A 99 -12.909 7.800 5.355 1.00 1.72 C ATOM 1628 CG PHE A 99 -14.378 8.139 5.433 1.00 2.74 C ATOM 1629 CD1 PHE A 99 -14.807 9.443 5.250 1.00 3.47 C ATOM 1630 CD2 PHE A 99 -15.324 7.160 5.693 1.00 3.29 C ATOM 1631 CE1 PHE A 99 -16.148 9.763 5.323 1.00 4.65 C ATOM 1632 CE2 PHE A 99 -16.667 7.476 5.767 1.00 4.51 C ATOM 1633 CZ PHE A 99 -17.086 8.746 5.575 1.00 5.17 C ATOM 0 H PHE A 99 -12.073 6.667 8.006 1.00 1.23 H new ATOM 0 HA PHE A 99 -11.050 7.820 6.428 1.00 1.37 H new ATOM 0 HB2 PHE A 99 -12.488 8.294 4.479 1.00 1.72 H new ATOM 0 HB3 PHE A 99 -12.812 6.726 5.193 1.00 1.72 H new ATOM 0 HD1 PHE A 99 -14.084 10.219 5.048 1.00 3.47 H new ATOM 0 HD2 PHE A 99 -15.008 6.138 5.840 1.00 3.29 H new ATOM 0 HE1 PHE A 99 -16.473 10.784 5.188 1.00 4.65 H new ATOM 0 HE2 PHE A 99 -17.388 6.701 5.980 1.00 4.51 H new ATOM 0 HZ PHE A 99 -18.140 8.980 5.615 1.00 5.17 H new ATOM 1643 N VAL A 100 -11.729 10.385 5.611 1.00 1.96 N ATOM 1644 CA VAL A 100 -11.497 11.820 5.613 1.00 2.64 C ATOM 1645 C VAL A 100 -12.819 12.590 5.646 1.00 3.27 C ATOM 1646 O VAL A 100 -13.560 12.578 4.642 1.00 3.70 O ATOM 1647 CB VAL A 100 -10.634 12.246 4.398 1.00 2.78 C ATOM 1648 CG1 VAL A 100 -11.180 11.656 3.105 1.00 2.91 C ATOM 1649 CG2 VAL A 100 -10.531 13.764 4.306 1.00 3.58 C ATOM 1650 OXT VAL A 100 -13.114 13.203 6.692 1.00 3.84 O ATOM 0 H VAL A 100 -11.733 9.962 4.683 1.00 1.96 H new ATOM 0 HA VAL A 100 -10.944 12.068 6.519 1.00 2.64 H new ATOM 0 HB VAL A 100 -9.629 11.851 4.547 1.00 2.78 H new ATOM 0 HG11 VAL A 100 -10.555 11.971 2.269 1.00 2.91 H new ATOM 0 HG12 VAL A 100 -11.176 10.568 3.171 1.00 2.91 H new ATOM 0 HG13 VAL A 100 -12.200 12.006 2.948 1.00 2.91 H new ATOM 0 HG21 VAL A 100 -9.920 14.036 3.445 1.00 3.58 H new ATOM 0 HG22 VAL A 100 -11.528 14.190 4.193 1.00 3.58 H new ATOM 0 HG23 VAL A 100 -10.071 14.153 5.214 1.00 3.58 H new TER 1660 VAL A 100