USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 793 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 GLN : amide:sc= 0.271 K(o=0.54,f=-0.19) USER MOD Set 1.2: A 67 ASN : amide:sc= 0.267 K(o=0.54,f=-0.89) USER MOD Set 2.1: A 30 TYR OH : rot 151:sc= 0.402 USER MOD Set 2.2: A 52 LYS NZ :NH3+ -175:sc= 0.578 (180deg=0.122) USER MOD Set 3.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 38 GLN :FLIP amide:sc= -0.21 F(o=-2.5,f=-0.21) USER MOD Single : A 3 LYS NZ :NH3+ 172:sc= 0.337 (180deg=0.309) USER MOD Single : A 9 SER OG : rot 180:sc= -0.839 USER MOD Single : A 10 THR OG1 : rot -23:sc= 0.496 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.134 K(o=-0.13,f=-2.3!) USER MOD Single : A 16 SER OG : rot 68:sc= 1.23 USER MOD Single : A 17 SER OG : rot 70:sc= 0.65 USER MOD Single : A 19 GLN : amide:sc= -0.449 X(o=-0.45,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc=-0.00457 X(o=-0.0046,f=0) USER MOD Single : A 25 ASN : amide:sc= 0.454 X(o=0.45,f=0) USER MOD Single : A 26 TYR OH : rot -107:sc= 0.428 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 17:sc= 0.404 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 78:sc= 0.638 USER MOD Single : A 47 MET CE :methyl -152:sc= 0 (180deg=-0.802) USER MOD Single : A 48 LYS NZ :NH3+ 155:sc= 0.829 (180deg=0.469) USER MOD Single : A 59 ASN : amide:sc= -1.03 K(o=-1,f=-3.1!) USER MOD Single : A 62 SER OG : rot -15:sc= 0.241 USER MOD Single : A 64 ASN : amide:sc= -0.277 K(o=-0.28,f=-4.1!) USER MOD Single : A 70 GLN : amide:sc= -1.01 X(o=-1,f=-0.54) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 74 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.042) USER MOD Single : A 75 LYS NZ :NH3+ 151:sc= 0.715 (180deg=0.314) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 145:sc= -0.127 (180deg=-1.68!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 50:sc= 0.253 USER MOD Single : A 92 THR OG1 : rot 87:sc= 1.19 USER MOD Single : A 93 GLN : amide:sc= 0.182 X(o=0.18,f=-0.00014) USER MOD Single : A 100 LYS NZ :NH3+ 165:sc= -0.0681 (180deg=-0.53) USER MOD Single : A 101 THR OG1 : rot 82:sc= 0.959 USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 4.889 3.533 12.688 1.00 71.23 N ATOM 21 CA GLY A 2 4.828 2.811 11.432 1.00 52.45 C ATOM 22 C GLY A 2 3.653 3.280 10.607 1.00 50.32 C ATOM 23 O GLY A 2 2.500 3.079 11.002 1.00 23.24 O ATOM 0 HA2 GLY A 2 5.753 2.960 10.875 1.00 52.45 H new ATOM 0 HA3 GLY A 2 4.741 1.742 11.625 1.00 52.45 H new ATOM 27 N LYS A 3 3.936 3.929 9.469 1.00 34.33 N ATOM 28 CA LYS A 3 2.903 4.428 8.556 1.00 61.44 C ATOM 29 C LYS A 3 2.948 3.641 7.243 1.00 32.43 C ATOM 30 O LYS A 3 4.022 3.421 6.686 1.00 4.41 O ATOM 31 CB LYS A 3 3.082 5.947 8.283 1.00 20.41 C ATOM 32 CG LYS A 3 2.070 6.520 7.262 1.00 11.23 C ATOM 33 CD LYS A 3 2.188 8.045 7.052 1.00 15.34 C ATOM 34 CE LYS A 3 1.718 8.873 8.263 1.00 13.45 C ATOM 35 NZ LYS A 3 1.622 10.328 7.938 1.00 2.02 N ATOM 0 H LYS A 3 4.888 4.122 9.157 1.00 34.33 H new ATOM 0 HA LYS A 3 1.930 4.287 9.026 1.00 61.44 H new ATOM 0 HB2 LYS A 3 2.983 6.490 9.223 1.00 20.41 H new ATOM 0 HB3 LYS A 3 4.093 6.125 7.917 1.00 20.41 H new ATOM 0 HG2 LYS A 3 2.212 6.019 6.304 1.00 11.23 H new ATOM 0 HG3 LYS A 3 1.059 6.286 7.597 1.00 11.23 H new ATOM 0 HD2 LYS A 3 3.226 8.294 6.833 1.00 15.34 H new ATOM 0 HD3 LYS A 3 1.601 8.329 6.178 1.00 15.34 H new ATOM 0 HE2 LYS A 3 0.746 8.510 8.596 1.00 13.45 H new ATOM 0 HE3 LYS A 3 2.412 8.731 9.092 1.00 13.45 H new ATOM 0 HZ1 LYS A 3 1.176 10.832 8.731 1.00 2.02 H new ATOM 0 HZ2 LYS A 3 2.575 10.711 7.777 1.00 2.02 H new ATOM 0 HZ3 LYS A 3 1.048 10.455 7.080 1.00 2.02 H new ATOM 49 N VAL A 4 1.769 3.207 6.778 1.00 54.12 N ATOM 50 CA VAL A 4 1.597 2.551 5.476 1.00 12.25 C ATOM 51 C VAL A 4 1.185 3.597 4.422 1.00 5.14 C ATOM 52 O VAL A 4 0.449 4.536 4.732 1.00 20.40 O ATOM 53 CB VAL A 4 0.488 1.431 5.544 1.00 63.23 C ATOM 54 CG1 VAL A 4 0.353 0.682 4.201 1.00 72.21 C ATOM 55 CG2 VAL A 4 0.753 0.443 6.696 1.00 64.30 C ATOM 0 H VAL A 4 0.899 3.303 7.301 1.00 54.12 H new ATOM 0 HA VAL A 4 2.546 2.089 5.202 1.00 12.25 H new ATOM 0 HB VAL A 4 -0.459 1.932 5.743 1.00 63.23 H new ATOM 0 HG11 VAL A 4 -0.420 -0.082 4.286 1.00 72.21 H new ATOM 0 HG12 VAL A 4 0.081 1.388 3.416 1.00 72.21 H new ATOM 0 HG13 VAL A 4 1.303 0.210 3.951 1.00 72.21 H new ATOM 0 HG21 VAL A 4 -0.030 -0.315 6.713 1.00 64.30 H new ATOM 0 HG22 VAL A 4 1.720 -0.038 6.548 1.00 64.30 H new ATOM 0 HG23 VAL A 4 0.757 0.982 7.644 1.00 64.30 H new ATOM 65 N LEU A 5 1.685 3.446 3.195 1.00 22.30 N ATOM 66 CA LEU A 5 1.154 4.141 2.026 1.00 72.00 C ATOM 67 C LEU A 5 0.247 3.155 1.282 1.00 62.43 C ATOM 68 O LEU A 5 0.738 2.193 0.675 1.00 40.44 O ATOM 69 CB LEU A 5 2.295 4.626 1.104 1.00 11.54 C ATOM 70 CG LEU A 5 1.837 5.336 -0.209 1.00 73.01 C ATOM 71 CD1 LEU A 5 1.062 6.635 0.083 1.00 51.44 C ATOM 72 CD2 LEU A 5 3.028 5.584 -1.146 1.00 44.01 C ATOM 0 H LEU A 5 2.474 2.834 2.985 1.00 22.30 H new ATOM 0 HA LEU A 5 0.595 5.024 2.335 1.00 72.00 H new ATOM 0 HB2 LEU A 5 2.928 5.312 1.667 1.00 11.54 H new ATOM 0 HB3 LEU A 5 2.913 3.769 0.837 1.00 11.54 H new ATOM 0 HG LEU A 5 1.147 4.665 -0.721 1.00 73.01 H new ATOM 0 HD11 LEU A 5 0.761 7.098 -0.857 1.00 51.44 H new ATOM 0 HD12 LEU A 5 0.176 6.405 0.674 1.00 51.44 H new ATOM 0 HD13 LEU A 5 1.700 7.322 0.638 1.00 51.44 H new ATOM 0 HD21 LEU A 5 2.681 6.080 -2.053 1.00 44.01 H new ATOM 0 HD22 LEU A 5 3.760 6.217 -0.644 1.00 44.01 H new ATOM 0 HD23 LEU A 5 3.490 4.632 -1.407 1.00 44.01 H new ATOM 84 N LEU A 6 -1.067 3.367 1.365 1.00 3.45 N ATOM 85 CA LEU A 6 -2.057 2.459 0.779 1.00 62.53 C ATOM 86 C LEU A 6 -2.308 2.870 -0.684 1.00 12.32 C ATOM 87 O LEU A 6 -3.080 3.795 -0.955 1.00 65.50 O ATOM 88 CB LEU A 6 -3.364 2.493 1.623 1.00 22.43 C ATOM 89 CG LEU A 6 -4.457 1.441 1.252 1.00 53.13 C ATOM 90 CD1 LEU A 6 -3.956 0.001 1.486 1.00 45.21 C ATOM 91 CD2 LEU A 6 -5.769 1.715 2.021 1.00 30.02 C ATOM 0 H LEU A 6 -1.476 4.172 1.840 1.00 3.45 H new ATOM 0 HA LEU A 6 -1.687 1.434 0.788 1.00 62.53 H new ATOM 0 HB2 LEU A 6 -3.098 2.354 2.671 1.00 22.43 H new ATOM 0 HB3 LEU A 6 -3.802 3.487 1.534 1.00 22.43 H new ATOM 0 HG LEU A 6 -4.668 1.540 0.187 1.00 53.13 H new ATOM 0 HD11 LEU A 6 -4.741 -0.706 1.218 1.00 45.21 H new ATOM 0 HD12 LEU A 6 -3.076 -0.183 0.869 1.00 45.21 H new ATOM 0 HD13 LEU A 6 -3.696 -0.127 2.537 1.00 45.21 H new ATOM 0 HD21 LEU A 6 -6.515 0.969 1.746 1.00 30.02 H new ATOM 0 HD22 LEU A 6 -5.580 1.661 3.093 1.00 30.02 H new ATOM 0 HD23 LEU A 6 -6.139 2.709 1.767 1.00 30.02 H new ATOM 103 N VAL A 7 -1.614 2.197 -1.616 1.00 32.44 N ATOM 104 CA VAL A 7 -1.673 2.497 -3.056 1.00 52.44 C ATOM 105 C VAL A 7 -2.824 1.706 -3.695 1.00 52.23 C ATOM 106 O VAL A 7 -2.752 0.481 -3.846 1.00 53.42 O ATOM 107 CB VAL A 7 -0.313 2.141 -3.771 1.00 2.31 C ATOM 108 CG1 VAL A 7 -0.366 2.416 -5.295 1.00 44.24 C ATOM 109 CG2 VAL A 7 0.863 2.886 -3.110 1.00 11.32 C ATOM 0 H VAL A 7 -0.990 1.422 -1.389 1.00 32.44 H new ATOM 0 HA VAL A 7 -1.846 3.566 -3.179 1.00 52.44 H new ATOM 0 HB VAL A 7 -0.152 1.070 -3.649 1.00 2.31 H new ATOM 0 HG11 VAL A 7 0.592 2.156 -5.745 1.00 44.24 H new ATOM 0 HG12 VAL A 7 -1.154 1.813 -5.746 1.00 44.24 H new ATOM 0 HG13 VAL A 7 -0.573 3.472 -5.467 1.00 44.24 H new ATOM 0 HG21 VAL A 7 1.791 2.626 -3.619 1.00 11.32 H new ATOM 0 HG22 VAL A 7 0.699 3.961 -3.182 1.00 11.32 H new ATOM 0 HG23 VAL A 7 0.932 2.599 -2.061 1.00 11.32 H new ATOM 119 N ILE A 8 -3.895 2.429 -4.028 1.00 1.45 N ATOM 120 CA ILE A 8 -5.121 1.878 -4.616 1.00 22.15 C ATOM 121 C ILE A 8 -5.252 2.371 -6.065 1.00 12.31 C ATOM 122 O ILE A 8 -5.004 3.551 -6.354 1.00 21.53 O ATOM 123 CB ILE A 8 -6.391 2.329 -3.804 1.00 13.23 C ATOM 124 CG1 ILE A 8 -6.194 2.056 -2.286 1.00 12.25 C ATOM 125 CG2 ILE A 8 -7.689 1.654 -4.331 1.00 0.23 C ATOM 126 CD1 ILE A 8 -7.348 2.491 -1.417 1.00 74.01 C ATOM 0 H ILE A 8 -3.936 3.439 -3.894 1.00 1.45 H new ATOM 0 HA ILE A 8 -5.058 0.790 -4.587 1.00 22.15 H new ATOM 0 HB ILE A 8 -6.510 3.403 -3.949 1.00 13.23 H new ATOM 0 HG12 ILE A 8 -6.028 0.989 -2.140 1.00 12.25 H new ATOM 0 HG13 ILE A 8 -5.291 2.567 -1.952 1.00 12.25 H new ATOM 0 HG21 ILE A 8 -8.541 1.994 -3.742 1.00 0.23 H new ATOM 0 HG22 ILE A 8 -7.840 1.923 -5.376 1.00 0.23 H new ATOM 0 HG23 ILE A 8 -7.597 0.571 -4.245 1.00 0.23 H new ATOM 0 HD11 ILE A 8 -7.125 2.263 -0.375 1.00 74.01 H new ATOM 0 HD12 ILE A 8 -7.503 3.564 -1.528 1.00 74.01 H new ATOM 0 HD13 ILE A 8 -8.251 1.961 -1.719 1.00 74.01 H new ATOM 138 N SER A 9 -5.638 1.462 -6.954 1.00 55.54 N ATOM 139 CA SER A 9 -5.967 1.769 -8.343 1.00 71.12 C ATOM 140 C SER A 9 -6.902 0.671 -8.851 1.00 2.44 C ATOM 141 O SER A 9 -6.773 -0.492 -8.451 1.00 51.14 O ATOM 142 CB SER A 9 -4.680 1.855 -9.202 1.00 52.33 C ATOM 143 OG SER A 9 -4.955 2.211 -10.547 1.00 64.33 O ATOM 0 H SER A 9 -5.733 0.472 -6.726 1.00 55.54 H new ATOM 0 HA SER A 9 -6.460 2.738 -8.415 1.00 71.12 H new ATOM 0 HB2 SER A 9 -4.002 2.589 -8.765 1.00 52.33 H new ATOM 0 HB3 SER A 9 -4.166 0.894 -9.180 1.00 52.33 H new ATOM 0 HG SER A 9 -4.116 2.255 -11.052 1.00 64.33 H new ATOM 149 N THR A 10 -7.845 1.041 -9.721 1.00 71.14 N ATOM 150 CA THR A 10 -8.811 0.093 -10.307 1.00 43.32 C ATOM 151 C THR A 10 -8.228 -0.566 -11.578 1.00 62.41 C ATOM 152 O THR A 10 -8.915 -1.307 -12.290 1.00 10.33 O ATOM 153 CB THR A 10 -10.178 0.815 -10.600 1.00 24.13 C ATOM 154 OG1 THR A 10 -11.171 -0.099 -11.120 1.00 54.43 O ATOM 155 CG2 THR A 10 -10.019 1.998 -11.567 1.00 33.13 C ATOM 0 H THR A 10 -7.965 2.002 -10.042 1.00 71.14 H new ATOM 0 HA THR A 10 -9.003 -0.703 -9.587 1.00 43.32 H new ATOM 0 HB THR A 10 -10.520 1.199 -9.639 1.00 24.13 H new ATOM 0 HG1 THR A 10 -10.724 -0.867 -11.534 1.00 54.43 H new ATOM 0 HG21 THR A 10 -10.990 2.462 -11.737 1.00 33.13 H new ATOM 0 HG22 THR A 10 -9.337 2.731 -11.136 1.00 33.13 H new ATOM 0 HG23 THR A 10 -9.617 1.641 -12.515 1.00 33.13 H new ATOM 163 N ASP A 11 -6.933 -0.304 -11.845 1.00 72.14 N ATOM 164 CA ASP A 11 -6.202 -0.854 -12.989 1.00 72.33 C ATOM 165 C ASP A 11 -5.007 -1.690 -12.495 1.00 31.34 C ATOM 166 O ASP A 11 -3.941 -1.134 -12.173 1.00 62.41 O ATOM 167 CB ASP A 11 -5.730 0.296 -13.908 1.00 61.13 C ATOM 168 CG ASP A 11 -6.875 1.021 -14.621 1.00 30.13 C ATOM 169 OD1 ASP A 11 -7.530 1.877 -13.997 1.00 54.31 O ATOM 170 OD2 ASP A 11 -7.132 0.739 -15.817 1.00 43.32 O ATOM 0 H ASP A 11 -6.363 0.306 -11.259 1.00 72.14 H new ATOM 0 HA ASP A 11 -6.861 -1.506 -13.563 1.00 72.33 H new ATOM 0 HB2 ASP A 11 -5.169 1.017 -13.314 1.00 61.13 H new ATOM 0 HB3 ASP A 11 -5.044 -0.105 -14.654 1.00 61.13 H new ATOM 175 N THR A 12 -5.211 -3.025 -12.441 1.00 63.10 N ATOM 176 CA THR A 12 -4.185 -4.015 -12.043 1.00 12.12 C ATOM 177 C THR A 12 -2.864 -3.813 -12.814 1.00 45.20 C ATOM 178 O THR A 12 -1.791 -3.866 -12.223 1.00 70.12 O ATOM 179 CB THR A 12 -4.720 -5.477 -12.266 1.00 10.11 C ATOM 180 OG1 THR A 12 -5.909 -5.666 -11.490 1.00 43.44 O ATOM 181 CG2 THR A 12 -3.692 -6.564 -11.885 1.00 62.42 C ATOM 0 H THR A 12 -6.107 -3.452 -12.676 1.00 63.10 H new ATOM 0 HA THR A 12 -3.979 -3.864 -10.983 1.00 12.12 H new ATOM 0 HB THR A 12 -4.922 -5.584 -13.332 1.00 10.11 H new ATOM 0 HG1 THR A 12 -6.248 -6.575 -11.627 1.00 43.44 H new ATOM 0 HG21 THR A 12 -4.122 -7.550 -12.062 1.00 62.42 H new ATOM 0 HG22 THR A 12 -2.795 -6.445 -12.493 1.00 62.42 H new ATOM 0 HG23 THR A 12 -3.432 -6.466 -10.831 1.00 62.42 H new ATOM 189 N ASN A 13 -2.987 -3.518 -14.123 1.00 20.33 N ATOM 190 CA ASN A 13 -1.843 -3.327 -15.043 1.00 44.32 C ATOM 191 C ASN A 13 -0.964 -2.138 -14.613 1.00 54.44 C ATOM 192 O ASN A 13 0.265 -2.213 -14.706 1.00 43.22 O ATOM 193 CB ASN A 13 -2.344 -3.115 -16.498 1.00 22.31 C ATOM 194 CG ASN A 13 -3.108 -4.313 -17.074 1.00 2.41 C ATOM 195 OD1 ASN A 13 -3.749 -5.083 -16.351 1.00 55.44 O ATOM 196 ND2 ASN A 13 -3.064 -4.469 -18.389 1.00 1.31 N ATOM 0 H ASN A 13 -3.892 -3.404 -14.579 1.00 20.33 H new ATOM 0 HA ASN A 13 -1.235 -4.231 -15.001 1.00 44.32 H new ATOM 0 HB2 ASN A 13 -2.990 -2.238 -16.525 1.00 22.31 H new ATOM 0 HB3 ASN A 13 -1.489 -2.900 -17.139 1.00 22.31 H new ATOM 0 HD21 ASN A 13 -3.567 -5.240 -18.828 1.00 1.31 H new ATOM 0 HD22 ASN A 13 -2.527 -3.818 -18.962 1.00 1.31 H new ATOM 203 N ILE A 14 -1.604 -1.054 -14.111 1.00 24.31 N ATOM 204 CA ILE A 14 -0.886 0.148 -13.650 1.00 22.52 C ATOM 205 C ILE A 14 -0.129 -0.188 -12.344 1.00 31.42 C ATOM 206 O ILE A 14 1.064 0.098 -12.218 1.00 30.24 O ATOM 207 CB ILE A 14 -1.869 1.360 -13.421 1.00 12.13 C ATOM 208 CG1 ILE A 14 -2.643 1.747 -14.729 1.00 31.00 C ATOM 209 CG2 ILE A 14 -1.131 2.586 -12.853 1.00 35.24 C ATOM 210 CD1 ILE A 14 -1.794 2.269 -15.883 1.00 73.53 C ATOM 0 H ILE A 14 -2.618 -0.993 -14.017 1.00 24.31 H new ATOM 0 HA ILE A 14 -0.178 0.449 -14.422 1.00 22.52 H new ATOM 0 HB ILE A 14 -2.603 1.029 -12.686 1.00 12.13 H new ATOM 0 HG12 ILE A 14 -3.190 0.870 -15.075 1.00 31.00 H new ATOM 0 HG13 ILE A 14 -3.383 2.506 -14.477 1.00 31.00 H new ATOM 0 HG21 ILE A 14 -1.839 3.402 -12.708 1.00 35.24 H new ATOM 0 HG22 ILE A 14 -0.676 2.326 -11.897 1.00 35.24 H new ATOM 0 HG23 ILE A 14 -0.355 2.899 -13.551 1.00 35.24 H new ATOM 0 HD11 ILE A 14 -2.437 2.503 -16.731 1.00 73.53 H new ATOM 0 HD12 ILE A 14 -1.266 3.169 -15.568 1.00 73.53 H new ATOM 0 HD13 ILE A 14 -1.071 1.508 -16.176 1.00 73.53 H new ATOM 222 N ILE A 15 -0.852 -0.856 -11.413 1.00 4.15 N ATOM 223 CA ILE A 15 -0.309 -1.339 -10.124 1.00 32.03 C ATOM 224 C ILE A 15 0.911 -2.255 -10.352 1.00 31.32 C ATOM 225 O ILE A 15 1.914 -2.138 -9.651 1.00 30.41 O ATOM 226 CB ILE A 15 -1.419 -2.111 -9.301 1.00 34.15 C ATOM 227 CG1 ILE A 15 -2.582 -1.145 -8.925 1.00 13.23 C ATOM 228 CG2 ILE A 15 -0.838 -2.798 -8.043 1.00 63.12 C ATOM 229 CD1 ILE A 15 -3.701 -1.768 -8.114 1.00 51.12 C ATOM 0 H ILE A 15 -1.840 -1.076 -11.539 1.00 4.15 H new ATOM 0 HA ILE A 15 0.010 -0.469 -9.549 1.00 32.03 H new ATOM 0 HB ILE A 15 -1.813 -2.902 -9.939 1.00 34.15 H new ATOM 0 HG12 ILE A 15 -2.170 -0.307 -8.362 1.00 13.23 H new ATOM 0 HG13 ILE A 15 -3.004 -0.736 -9.843 1.00 13.23 H new ATOM 0 HG21 ILE A 15 -1.636 -3.315 -7.510 1.00 63.12 H new ATOM 0 HG22 ILE A 15 -0.075 -3.517 -8.341 1.00 63.12 H new ATOM 0 HG23 ILE A 15 -0.393 -2.046 -7.391 1.00 63.12 H new ATOM 0 HD11 ILE A 15 -4.461 -1.015 -7.904 1.00 51.12 H new ATOM 0 HD12 ILE A 15 -4.148 -2.586 -8.679 1.00 51.12 H new ATOM 0 HD13 ILE A 15 -3.300 -2.151 -7.176 1.00 51.12 H new ATOM 241 N SER A 16 0.807 -3.118 -11.377 1.00 52.23 N ATOM 242 CA SER A 16 1.828 -4.121 -11.717 1.00 72.34 C ATOM 243 C SER A 16 3.111 -3.463 -12.258 1.00 11.44 C ATOM 244 O SER A 16 4.217 -3.911 -11.941 1.00 33.25 O ATOM 245 CB SER A 16 1.253 -5.127 -12.740 1.00 53.42 C ATOM 246 OG SER A 16 0.141 -5.819 -12.198 1.00 52.34 O ATOM 0 H SER A 16 -0.000 -3.138 -12.000 1.00 52.23 H new ATOM 0 HA SER A 16 2.099 -4.655 -10.806 1.00 72.34 H new ATOM 0 HB2 SER A 16 0.952 -4.600 -13.645 1.00 53.42 H new ATOM 0 HB3 SER A 16 2.025 -5.840 -13.028 1.00 53.42 H new ATOM 0 HG SER A 16 -0.606 -5.196 -12.078 1.00 52.34 H new ATOM 252 N SER A 17 2.946 -2.399 -13.076 1.00 14.12 N ATOM 253 CA SER A 17 4.071 -1.600 -13.590 1.00 60.42 C ATOM 254 C SER A 17 4.850 -0.957 -12.423 1.00 71.24 C ATOM 255 O SER A 17 6.052 -1.176 -12.273 1.00 50.32 O ATOM 256 CB SER A 17 3.555 -0.525 -14.580 1.00 64.04 C ATOM 257 OG SER A 17 2.825 -1.118 -15.647 1.00 13.11 O ATOM 0 H SER A 17 2.033 -2.075 -13.394 1.00 14.12 H new ATOM 0 HA SER A 17 4.755 -2.256 -14.129 1.00 60.42 H new ATOM 0 HB2 SER A 17 2.919 0.185 -14.051 1.00 64.04 H new ATOM 0 HB3 SER A 17 4.397 0.038 -14.981 1.00 64.04 H new ATOM 0 HG SER A 17 1.979 -1.475 -15.305 1.00 13.11 H new ATOM 263 N VAL A 18 4.106 -0.242 -11.568 1.00 31.22 N ATOM 264 CA VAL A 18 4.640 0.494 -10.405 1.00 54.25 C ATOM 265 C VAL A 18 5.292 -0.465 -9.379 1.00 5.42 C ATOM 266 O VAL A 18 6.326 -0.146 -8.780 1.00 40.40 O ATOM 267 CB VAL A 18 3.480 1.307 -9.730 1.00 62.44 C ATOM 268 CG1 VAL A 18 3.962 2.075 -8.485 1.00 61.34 C ATOM 269 CG2 VAL A 18 2.816 2.258 -10.752 1.00 64.25 C ATOM 0 H VAL A 18 3.094 -0.155 -11.664 1.00 31.22 H new ATOM 0 HA VAL A 18 5.415 1.177 -10.753 1.00 54.25 H new ATOM 0 HB VAL A 18 2.732 0.591 -9.390 1.00 62.44 H new ATOM 0 HG11 VAL A 18 3.127 2.624 -8.050 1.00 61.34 H new ATOM 0 HG12 VAL A 18 4.354 1.370 -7.752 1.00 61.34 H new ATOM 0 HG13 VAL A 18 4.747 2.776 -8.771 1.00 61.34 H new ATOM 0 HG21 VAL A 18 2.014 2.813 -10.265 1.00 64.25 H new ATOM 0 HG22 VAL A 18 3.560 2.956 -11.136 1.00 64.25 H new ATOM 0 HG23 VAL A 18 2.405 1.676 -11.577 1.00 64.25 H new ATOM 279 N GLN A 19 4.681 -1.650 -9.238 1.00 62.34 N ATOM 280 CA GLN A 19 5.131 -2.717 -8.328 1.00 40.41 C ATOM 281 C GLN A 19 6.523 -3.214 -8.747 1.00 70.45 C ATOM 282 O GLN A 19 7.443 -3.258 -7.931 1.00 3.03 O ATOM 283 CB GLN A 19 4.099 -3.876 -8.357 1.00 62.33 C ATOM 284 CG GLN A 19 4.362 -5.038 -7.392 1.00 30.05 C ATOM 285 CD GLN A 19 3.351 -6.189 -7.523 1.00 4.23 C ATOM 286 OE1 GLN A 19 3.690 -7.358 -7.318 1.00 32.11 O ATOM 287 NE2 GLN A 19 2.088 -5.880 -7.820 1.00 14.33 N ATOM 0 H GLN A 19 3.843 -1.900 -9.763 1.00 62.34 H new ATOM 0 HA GLN A 19 5.203 -2.330 -7.311 1.00 40.41 H new ATOM 0 HB2 GLN A 19 3.114 -3.464 -8.137 1.00 62.33 H new ATOM 0 HB3 GLN A 19 4.059 -4.274 -9.371 1.00 62.33 H new ATOM 0 HG2 GLN A 19 5.365 -5.425 -7.568 1.00 30.05 H new ATOM 0 HG3 GLN A 19 4.341 -4.662 -6.369 1.00 30.05 H new ATOM 0 HE21 GLN A 19 1.826 -4.908 -7.986 1.00 14.33 H new ATOM 0 HE22 GLN A 19 1.384 -6.615 -7.881 1.00 14.33 H new ATOM 296 N GLU A 20 6.666 -3.524 -10.046 1.00 44.43 N ATOM 297 CA GLU A 20 7.920 -4.040 -10.620 1.00 11.11 C ATOM 298 C GLU A 20 9.021 -2.962 -10.662 1.00 3.24 C ATOM 299 O GLU A 20 10.207 -3.292 -10.563 1.00 64.13 O ATOM 300 CB GLU A 20 7.646 -4.625 -12.025 1.00 22.13 C ATOM 301 CG GLU A 20 6.834 -5.939 -12.018 1.00 72.35 C ATOM 302 CD GLU A 20 7.598 -7.133 -11.402 1.00 22.22 C ATOM 303 OE1 GLU A 20 7.603 -7.288 -10.159 1.00 54.32 O ATOM 304 OE2 GLU A 20 8.204 -7.915 -12.166 1.00 61.23 O ATOM 0 H GLU A 20 5.915 -3.424 -10.729 1.00 44.43 H new ATOM 0 HA GLU A 20 8.292 -4.835 -9.974 1.00 11.11 H new ATOM 0 HB2 GLU A 20 7.110 -3.883 -12.617 1.00 22.13 H new ATOM 0 HB3 GLU A 20 8.599 -4.803 -12.524 1.00 22.13 H new ATOM 0 HG2 GLU A 20 5.910 -5.783 -11.461 1.00 72.35 H new ATOM 0 HG3 GLU A 20 6.551 -6.188 -13.041 1.00 72.35 H new ATOM 311 N ARG A 21 8.616 -1.679 -10.795 1.00 35.14 N ATOM 312 CA ARG A 21 9.547 -0.534 -10.703 1.00 11.32 C ATOM 313 C ARG A 21 10.146 -0.453 -9.278 1.00 52.03 C ATOM 314 O ARG A 21 11.367 -0.474 -9.093 1.00 13.43 O ATOM 315 CB ARG A 21 8.836 0.815 -11.054 1.00 64.25 C ATOM 316 CG ARG A 21 8.321 0.988 -12.510 1.00 34.53 C ATOM 317 CD ARG A 21 9.414 0.927 -13.601 1.00 73.35 C ATOM 318 NE ARG A 21 9.830 -0.449 -13.922 1.00 12.13 N ATOM 319 CZ ARG A 21 10.762 -0.788 -14.836 1.00 73.44 C ATOM 320 NH1 ARG A 21 11.417 0.137 -15.544 1.00 31.34 N ATOM 321 NH2 ARG A 21 11.018 -2.071 -15.062 1.00 44.23 N ATOM 0 H ARG A 21 7.647 -1.411 -10.967 1.00 35.14 H new ATOM 0 HA ARG A 21 10.345 -0.694 -11.428 1.00 11.32 H new ATOM 0 HB2 ARG A 21 7.989 0.936 -10.379 1.00 64.25 H new ATOM 0 HB3 ARG A 21 9.530 1.628 -10.842 1.00 64.25 H new ATOM 0 HG2 ARG A 21 7.583 0.212 -12.713 1.00 34.53 H new ATOM 0 HG3 ARG A 21 7.806 1.946 -12.586 1.00 34.53 H new ATOM 0 HD2 ARG A 21 9.044 1.409 -14.506 1.00 73.35 H new ATOM 0 HD3 ARG A 21 10.283 1.495 -13.269 1.00 73.35 H new ATOM 0 HE ARG A 21 9.376 -1.207 -13.412 1.00 12.13 H new ATOM 0 HH11 ARG A 21 11.217 1.127 -15.399 1.00 31.34 H new ATOM 0 HH12 ARG A 21 12.117 -0.147 -16.229 1.00 31.34 H new ATOM 0 HH21 ARG A 21 10.512 -2.791 -14.546 1.00 44.23 H new ATOM 0 HH22 ARG A 21 11.721 -2.337 -15.751 1.00 44.23 H new ATOM 335 N ALA A 22 9.245 -0.427 -8.278 1.00 2.11 N ATOM 336 CA ALA A 22 9.595 -0.195 -6.865 1.00 61.22 C ATOM 337 C ALA A 22 10.411 -1.359 -6.267 1.00 53.42 C ATOM 338 O ALA A 22 11.382 -1.131 -5.551 1.00 54.40 O ATOM 339 CB ALA A 22 8.319 0.057 -6.054 1.00 21.42 C ATOM 0 H ALA A 22 8.246 -0.568 -8.430 1.00 2.11 H new ATOM 0 HA ALA A 22 10.233 0.687 -6.816 1.00 61.22 H new ATOM 0 HB1 ALA A 22 8.580 0.228 -5.010 1.00 21.42 H new ATOM 0 HB2 ALA A 22 7.805 0.933 -6.448 1.00 21.42 H new ATOM 0 HB3 ALA A 22 7.664 -0.811 -6.127 1.00 21.42 H new ATOM 345 N LYS A 23 10.015 -2.603 -6.590 1.00 43.12 N ATOM 346 CA LYS A 23 10.695 -3.815 -6.087 1.00 22.22 C ATOM 347 C LYS A 23 12.074 -4.036 -6.750 1.00 11.34 C ATOM 348 O LYS A 23 12.894 -4.795 -6.221 1.00 13.31 O ATOM 349 CB LYS A 23 9.794 -5.063 -6.284 1.00 15.10 C ATOM 350 CG LYS A 23 8.485 -5.030 -5.469 1.00 0.21 C ATOM 351 CD LYS A 23 7.619 -6.304 -5.643 1.00 13.24 C ATOM 352 CE LYS A 23 8.305 -7.583 -5.131 1.00 74.45 C ATOM 353 NZ LYS A 23 7.416 -8.781 -5.234 1.00 13.21 N ATOM 0 H LYS A 23 9.222 -2.798 -7.201 1.00 43.12 H new ATOM 0 HA LYS A 23 10.872 -3.664 -5.022 1.00 22.22 H new ATOM 0 HB2 LYS A 23 9.548 -5.157 -7.342 1.00 15.10 H new ATOM 0 HB3 LYS A 23 10.359 -5.953 -6.008 1.00 15.10 H new ATOM 0 HG2 LYS A 23 8.726 -4.905 -4.413 1.00 0.21 H new ATOM 0 HG3 LYS A 23 7.901 -4.159 -5.768 1.00 0.21 H new ATOM 0 HD2 LYS A 23 6.676 -6.169 -5.113 1.00 13.24 H new ATOM 0 HD3 LYS A 23 7.376 -6.428 -6.698 1.00 13.24 H new ATOM 0 HE2 LYS A 23 9.216 -7.759 -5.703 1.00 74.45 H new ATOM 0 HE3 LYS A 23 8.603 -7.442 -4.092 1.00 74.45 H new ATOM 0 HZ1 LYS A 23 7.919 -9.619 -4.878 1.00 13.21 H new ATOM 0 HZ2 LYS A 23 6.558 -8.626 -4.667 1.00 13.21 H new ATOM 0 HZ3 LYS A 23 7.152 -8.933 -6.228 1.00 13.21 H new ATOM 367 N HIS A 24 12.308 -3.415 -7.924 1.00 12.03 N ATOM 368 CA HIS A 24 13.623 -3.448 -8.599 1.00 3.53 C ATOM 369 C HIS A 24 14.657 -2.601 -7.832 1.00 14.24 C ATOM 370 O HIS A 24 15.787 -3.052 -7.588 1.00 25.42 O ATOM 371 CB HIS A 24 13.483 -2.947 -10.061 1.00 0.12 C ATOM 372 CG HIS A 24 14.758 -2.995 -10.874 1.00 13.01 C ATOM 373 ND1 HIS A 24 15.075 -4.040 -11.720 1.00 10.23 N ATOM 374 CD2 HIS A 24 15.790 -2.119 -10.974 1.00 32.21 C ATOM 375 CE1 HIS A 24 16.243 -3.803 -12.289 1.00 3.12 C ATOM 376 NE2 HIS A 24 16.691 -2.648 -11.853 1.00 41.21 N ATOM 0 H HIS A 24 11.599 -2.881 -8.427 1.00 12.03 H new ATOM 0 HA HIS A 24 13.978 -4.478 -8.613 1.00 3.53 H new ATOM 0 HB2 HIS A 24 12.725 -3.547 -10.565 1.00 0.12 H new ATOM 0 HB3 HIS A 24 13.118 -1.920 -10.045 1.00 0.12 H new ATOM 0 HD2 HIS A 24 15.882 -1.177 -10.454 1.00 32.21 H new ATOM 0 HE1 HIS A 24 16.745 -4.450 -12.994 1.00 3.12 H new ATOM 0 HE2 HIS A 24 17.573 -2.215 -12.128 1.00 41.21 H new ATOM 385 N ASN A 25 14.266 -1.364 -7.478 1.00 4.03 N ATOM 386 CA ASN A 25 15.169 -0.412 -6.794 1.00 54.21 C ATOM 387 C ASN A 25 15.303 -0.777 -5.307 1.00 31.31 C ATOM 388 O ASN A 25 16.413 -0.919 -4.786 1.00 53.34 O ATOM 389 CB ASN A 25 14.665 1.044 -6.949 1.00 44.01 C ATOM 390 CG ASN A 25 14.617 1.511 -8.406 1.00 54.14 C ATOM 391 OD1 ASN A 25 15.611 1.992 -8.954 1.00 53.44 O ATOM 392 ND2 ASN A 25 13.466 1.389 -9.041 1.00 4.42 N ATOM 0 H ASN A 25 13.331 -0.997 -7.653 1.00 4.03 H new ATOM 0 HA ASN A 25 16.151 -0.481 -7.263 1.00 54.21 H new ATOM 0 HB2 ASN A 25 13.669 1.125 -6.515 1.00 44.01 H new ATOM 0 HB3 ASN A 25 15.315 1.710 -6.382 1.00 44.01 H new ATOM 0 HD21 ASN A 25 13.383 1.696 -10.010 1.00 4.42 H new ATOM 0 HD22 ASN A 25 12.660 0.987 -8.563 1.00 4.42 H new ATOM 399 N TYR A 26 14.150 -0.923 -4.644 1.00 61.31 N ATOM 400 CA TYR A 26 14.063 -1.291 -3.219 1.00 52.51 C ATOM 401 C TYR A 26 14.210 -2.816 -3.040 1.00 25.10 C ATOM 402 O TYR A 26 13.941 -3.561 -3.976 1.00 71.22 O ATOM 403 CB TYR A 26 12.709 -0.786 -2.642 1.00 33.03 C ATOM 404 CG TYR A 26 12.641 0.740 -2.575 1.00 3.31 C ATOM 405 CD1 TYR A 26 13.201 1.426 -1.493 1.00 23.45 C ATOM 406 CD2 TYR A 26 12.073 1.494 -3.605 1.00 12.50 C ATOM 407 CE1 TYR A 26 13.194 2.798 -1.445 1.00 75.42 C ATOM 408 CE2 TYR A 26 12.056 2.871 -3.550 1.00 25.23 C ATOM 409 CZ TYR A 26 12.622 3.516 -2.472 1.00 2.12 C ATOM 410 OH TYR A 26 12.640 4.887 -2.424 1.00 15.32 O ATOM 0 H TYR A 26 13.239 -0.788 -5.083 1.00 61.31 H new ATOM 0 HA TYR A 26 14.879 -0.818 -2.672 1.00 52.51 H new ATOM 0 HB2 TYR A 26 11.892 -1.157 -3.260 1.00 33.03 H new ATOM 0 HB3 TYR A 26 12.566 -1.198 -1.643 1.00 33.03 H new ATOM 0 HD1 TYR A 26 13.646 0.868 -0.682 1.00 23.45 H new ATOM 0 HD2 TYR A 26 11.641 0.990 -4.457 1.00 12.50 H new ATOM 0 HE1 TYR A 26 13.636 3.313 -0.605 1.00 75.42 H new ATOM 0 HE2 TYR A 26 11.602 3.441 -4.347 1.00 25.23 H new ATOM 0 HH TYR A 26 11.740 5.219 -2.222 1.00 15.32 H new ATOM 420 N PRO A 27 14.622 -3.305 -1.822 1.00 22.04 N ATOM 421 CA PRO A 27 14.780 -4.768 -1.546 1.00 12.31 C ATOM 422 C PRO A 27 13.461 -5.569 -1.668 1.00 2.21 C ATOM 423 O PRO A 27 13.477 -6.805 -1.626 1.00 63.50 O ATOM 424 CB PRO A 27 15.327 -4.800 -0.093 1.00 65.34 C ATOM 425 CG PRO A 27 14.906 -3.485 0.498 1.00 42.33 C ATOM 426 CD PRO A 27 15.009 -2.494 -0.632 1.00 24.15 C ATOM 0 HA PRO A 27 15.436 -5.244 -2.275 1.00 12.31 H new ATOM 0 HB2 PRO A 27 14.913 -5.638 0.468 1.00 65.34 H new ATOM 0 HB3 PRO A 27 16.411 -4.912 -0.080 1.00 65.34 H new ATOM 0 HG2 PRO A 27 13.889 -3.535 0.886 1.00 42.33 H new ATOM 0 HG3 PRO A 27 15.551 -3.202 1.330 1.00 42.33 H new ATOM 0 HD2 PRO A 27 14.341 -1.645 -0.487 1.00 24.15 H new ATOM 0 HD3 PRO A 27 16.018 -2.093 -0.727 1.00 24.15 H new ATOM 434 N GLY A 28 12.327 -4.850 -1.776 1.00 13.00 N ATOM 435 CA GLY A 28 11.020 -5.469 -1.991 1.00 25.34 C ATOM 436 C GLY A 28 10.258 -5.708 -0.702 1.00 74.22 C ATOM 437 O GLY A 28 9.041 -5.777 -0.716 1.00 14.02 O ATOM 0 H GLY A 28 12.299 -3.832 -1.716 1.00 13.00 H new ATOM 0 HA2 GLY A 28 10.425 -4.831 -2.645 1.00 25.34 H new ATOM 0 HA3 GLY A 28 11.155 -6.419 -2.508 1.00 25.34 H new ATOM 441 N ARG A 29 10.987 -5.828 0.422 1.00 11.31 N ATOM 442 CA ARG A 29 10.399 -6.106 1.754 1.00 51.03 C ATOM 443 C ARG A 29 9.590 -4.912 2.325 1.00 44.12 C ATOM 444 O ARG A 29 8.874 -5.063 3.324 1.00 14.30 O ATOM 445 CB ARG A 29 11.528 -6.542 2.728 1.00 11.53 C ATOM 446 CG ARG A 29 12.671 -5.524 2.889 1.00 10.44 C ATOM 447 CD ARG A 29 13.850 -6.048 3.733 1.00 35.23 C ATOM 448 NE ARG A 29 13.495 -6.317 5.141 1.00 52.20 N ATOM 449 CZ ARG A 29 14.216 -5.929 6.213 1.00 34.10 C ATOM 450 NH1 ARG A 29 15.356 -5.240 6.071 1.00 60.54 N ATOM 451 NH2 ARG A 29 13.801 -6.256 7.428 1.00 42.21 N ATOM 0 H ARG A 29 12.003 -5.736 0.437 1.00 11.31 H new ATOM 0 HA ARG A 29 9.679 -6.916 1.639 1.00 51.03 H new ATOM 0 HB2 ARG A 29 11.090 -6.733 3.708 1.00 11.53 H new ATOM 0 HB3 ARG A 29 11.947 -7.485 2.377 1.00 11.53 H new ATOM 0 HG2 ARG A 29 13.038 -5.243 1.902 1.00 10.44 H new ATOM 0 HG3 ARG A 29 12.278 -4.619 3.352 1.00 10.44 H new ATOM 0 HD2 ARG A 29 14.230 -6.964 3.281 1.00 35.23 H new ATOM 0 HD3 ARG A 29 14.659 -5.318 3.704 1.00 35.23 H new ATOM 0 HE ARG A 29 12.636 -6.838 5.317 1.00 52.20 H new ATOM 0 HH11 ARG A 29 15.694 -4.999 5.139 1.00 60.54 H new ATOM 0 HH12 ARG A 29 15.886 -4.956 6.895 1.00 60.54 H new ATOM 0 HH21 ARG A 29 12.944 -6.796 7.546 1.00 42.21 H new ATOM 0 HH22 ARG A 29 14.339 -5.968 8.245 1.00 42.21 H new ATOM 465 N TYR A 30 9.726 -3.734 1.697 1.00 23.23 N ATOM 466 CA TYR A 30 8.937 -2.524 2.038 1.00 52.21 C ATOM 467 C TYR A 30 7.713 -2.378 1.118 1.00 10.35 C ATOM 468 O TYR A 30 6.829 -1.553 1.373 1.00 33.51 O ATOM 469 CB TYR A 30 9.844 -1.266 1.978 1.00 45.02 C ATOM 470 CG TYR A 30 10.831 -1.168 3.157 1.00 31.41 C ATOM 471 CD1 TYR A 30 11.982 -1.954 3.203 1.00 1.32 C ATOM 472 CD2 TYR A 30 10.579 -0.326 4.246 1.00 3.15 C ATOM 473 CE1 TYR A 30 12.850 -1.897 4.280 1.00 12.53 C ATOM 474 CE2 TYR A 30 11.437 -0.268 5.329 1.00 22.41 C ATOM 475 CZ TYR A 30 12.572 -1.060 5.343 1.00 71.13 C ATOM 476 OH TYR A 30 13.427 -1.028 6.432 1.00 25.00 O ATOM 0 H TYR A 30 10.387 -3.586 0.934 1.00 23.23 H new ATOM 0 HA TYR A 30 8.561 -2.630 3.056 1.00 52.21 H new ATOM 0 HB2 TYR A 30 10.405 -1.276 1.044 1.00 45.02 H new ATOM 0 HB3 TYR A 30 9.217 -0.375 1.964 1.00 45.02 H new ATOM 0 HD1 TYR A 30 12.201 -2.621 2.382 1.00 1.32 H new ATOM 0 HD2 TYR A 30 9.694 0.293 4.241 1.00 3.15 H new ATOM 0 HE1 TYR A 30 13.742 -2.505 4.289 1.00 12.53 H new ATOM 0 HE2 TYR A 30 11.223 0.391 6.158 1.00 22.41 H new ATOM 0 HH TYR A 30 13.398 -0.140 6.845 1.00 25.00 H new ATOM 486 N ILE A 31 7.683 -3.176 0.038 1.00 63.02 N ATOM 487 CA ILE A 31 6.538 -3.275 -0.880 1.00 33.11 C ATOM 488 C ILE A 31 5.782 -4.585 -0.587 1.00 32.40 C ATOM 489 O ILE A 31 6.372 -5.669 -0.599 1.00 42.33 O ATOM 490 CB ILE A 31 6.979 -3.236 -2.404 1.00 15.52 C ATOM 491 CG1 ILE A 31 7.485 -1.817 -2.839 1.00 52.31 C ATOM 492 CG2 ILE A 31 5.833 -3.710 -3.340 1.00 62.34 C ATOM 493 CD1 ILE A 31 8.818 -1.379 -2.248 1.00 63.51 C ATOM 0 H ILE A 31 8.464 -3.778 -0.225 1.00 63.02 H new ATOM 0 HA ILE A 31 5.894 -2.411 -0.714 1.00 33.11 H new ATOM 0 HB ILE A 31 7.814 -3.930 -2.501 1.00 15.52 H new ATOM 0 HG12 ILE A 31 7.567 -1.799 -3.926 1.00 52.31 H new ATOM 0 HG13 ILE A 31 6.728 -1.082 -2.564 1.00 52.31 H new ATOM 0 HG21 ILE A 31 6.170 -3.671 -4.376 1.00 62.34 H new ATOM 0 HG22 ILE A 31 5.556 -4.734 -3.087 1.00 62.34 H new ATOM 0 HG23 ILE A 31 4.968 -3.059 -3.215 1.00 62.34 H new ATOM 0 HD11 ILE A 31 9.070 -0.384 -2.616 1.00 63.51 H new ATOM 0 HD12 ILE A 31 8.744 -1.355 -1.161 1.00 63.51 H new ATOM 0 HD13 ILE A 31 9.596 -2.083 -2.543 1.00 63.51 H new ATOM 505 N ARG A 32 4.483 -4.477 -0.320 1.00 52.30 N ATOM 506 CA ARG A 32 3.600 -5.622 -0.084 1.00 4.01 C ATOM 507 C ARG A 32 2.346 -5.464 -0.951 1.00 51.11 C ATOM 508 O ARG A 32 1.944 -4.345 -1.258 1.00 55.33 O ATOM 509 CB ARG A 32 3.235 -5.681 1.423 1.00 4.54 C ATOM 510 CG ARG A 32 2.162 -6.724 1.809 1.00 4.05 C ATOM 511 CD ARG A 32 2.573 -8.179 1.523 1.00 11.43 C ATOM 512 NE ARG A 32 1.484 -9.133 1.809 1.00 54.34 N ATOM 513 CZ ARG A 32 1.323 -9.806 2.954 1.00 1.40 C ATOM 514 NH1 ARG A 32 2.176 -9.657 3.965 1.00 32.44 N ATOM 515 NH2 ARG A 32 0.307 -10.646 3.084 1.00 30.11 N ATOM 0 H ARG A 32 4.004 -3.578 -0.260 1.00 52.30 H new ATOM 0 HA ARG A 32 4.096 -6.554 -0.353 1.00 4.01 H new ATOM 0 HB2 ARG A 32 4.142 -5.892 1.990 1.00 4.54 H new ATOM 0 HB3 ARG A 32 2.887 -4.696 1.733 1.00 4.54 H new ATOM 0 HG2 ARG A 32 1.937 -6.623 2.871 1.00 4.05 H new ATOM 0 HG3 ARG A 32 1.243 -6.503 1.266 1.00 4.05 H new ATOM 0 HD2 ARG A 32 2.870 -8.272 0.478 1.00 11.43 H new ATOM 0 HD3 ARG A 32 3.444 -8.434 2.126 1.00 11.43 H new ATOM 0 HE ARG A 32 0.797 -9.293 1.072 1.00 54.34 H new ATOM 0 HH11 ARG A 32 2.968 -9.021 3.874 1.00 32.44 H new ATOM 0 HH12 ARG A 32 2.037 -10.179 4.831 1.00 32.44 H new ATOM 0 HH21 ARG A 32 -0.348 -10.777 2.313 1.00 30.11 H new ATOM 0 HH22 ARG A 32 0.180 -11.162 3.955 1.00 30.11 H new ATOM 529 N THR A 33 1.749 -6.585 -1.364 1.00 41.23 N ATOM 530 CA THR A 33 0.486 -6.594 -2.111 1.00 0.43 C ATOM 531 C THR A 33 -0.629 -7.245 -1.265 1.00 44.54 C ATOM 532 O THR A 33 -0.415 -8.285 -0.629 1.00 20.31 O ATOM 533 CB THR A 33 0.653 -7.337 -3.473 1.00 4.43 C ATOM 534 OG1 THR A 33 1.214 -8.642 -3.254 1.00 31.32 O ATOM 535 CG2 THR A 33 1.551 -6.551 -4.446 1.00 12.33 C ATOM 0 H THR A 33 2.128 -7.516 -1.190 1.00 41.23 H new ATOM 0 HA THR A 33 0.202 -5.563 -2.324 1.00 0.43 H new ATOM 0 HB THR A 33 -0.336 -7.427 -3.922 1.00 4.43 H new ATOM 0 HG1 THR A 33 1.314 -9.103 -4.113 1.00 31.32 H new ATOM 0 HG21 THR A 33 1.642 -7.102 -5.382 1.00 12.33 H new ATOM 0 HG22 THR A 33 1.108 -5.574 -4.641 1.00 12.33 H new ATOM 0 HG23 THR A 33 2.539 -6.420 -4.004 1.00 12.33 H new ATOM 543 N ALA A 34 -1.802 -6.596 -1.255 1.00 3.52 N ATOM 544 CA ALA A 34 -3.008 -7.071 -0.574 1.00 41.44 C ATOM 545 C ALA A 34 -4.069 -7.422 -1.619 1.00 42.42 C ATOM 546 O ALA A 34 -4.577 -6.535 -2.321 1.00 30.11 O ATOM 547 CB ALA A 34 -3.525 -6.004 0.408 1.00 32.51 C ATOM 0 H ALA A 34 -1.938 -5.705 -1.733 1.00 3.52 H new ATOM 0 HA ALA A 34 -2.775 -7.965 0.005 1.00 41.44 H new ATOM 0 HB1 ALA A 34 -4.422 -6.372 0.906 1.00 32.51 H new ATOM 0 HB2 ALA A 34 -2.757 -5.792 1.152 1.00 32.51 H new ATOM 0 HB3 ALA A 34 -3.762 -5.091 -0.138 1.00 32.51 H new ATOM 553 N THR A 35 -4.351 -8.724 -1.764 1.00 70.25 N ATOM 554 CA THR A 35 -5.419 -9.221 -2.645 1.00 20.14 C ATOM 555 C THR A 35 -6.614 -9.717 -1.808 1.00 61.23 C ATOM 556 O THR A 35 -7.720 -9.888 -2.333 1.00 51.22 O ATOM 557 CB THR A 35 -4.897 -10.349 -3.610 1.00 0.14 C ATOM 558 OG1 THR A 35 -5.933 -10.761 -4.520 1.00 25.11 O ATOM 559 CG2 THR A 35 -4.377 -11.573 -2.854 1.00 21.41 C ATOM 0 H THR A 35 -3.846 -9.463 -1.274 1.00 70.25 H new ATOM 0 HA THR A 35 -5.753 -8.393 -3.270 1.00 20.14 H new ATOM 0 HB THR A 35 -4.065 -9.917 -4.166 1.00 0.14 H new ATOM 0 HG1 THR A 35 -6.640 -10.082 -4.540 1.00 25.11 H new ATOM 0 HG21 THR A 35 -4.029 -12.320 -3.567 1.00 21.41 H new ATOM 0 HG22 THR A 35 -3.551 -11.277 -2.207 1.00 21.41 H new ATOM 0 HG23 THR A 35 -5.179 -11.995 -2.249 1.00 21.41 H new ATOM 567 N SER A 36 -6.389 -9.922 -0.495 1.00 60.44 N ATOM 568 CA SER A 36 -7.400 -10.444 0.434 1.00 14.23 C ATOM 569 C SER A 36 -7.300 -9.744 1.808 1.00 61.40 C ATOM 570 O SER A 36 -6.276 -9.125 2.141 1.00 72.51 O ATOM 571 CB SER A 36 -7.195 -11.978 0.589 1.00 23.43 C ATOM 572 OG SER A 36 -7.284 -12.656 -0.661 1.00 2.14 O ATOM 0 H SER A 36 -5.492 -9.727 -0.050 1.00 60.44 H new ATOM 0 HA SER A 36 -8.394 -10.244 0.034 1.00 14.23 H new ATOM 0 HB2 SER A 36 -6.220 -12.170 1.037 1.00 23.43 H new ATOM 0 HB3 SER A 36 -7.945 -12.377 1.272 1.00 23.43 H new ATOM 0 HG SER A 36 -7.148 -13.617 -0.522 1.00 2.14 H new ATOM 578 N SER A 37 -8.374 -9.874 2.600 1.00 70.01 N ATOM 579 CA SER A 37 -8.440 -9.369 3.983 1.00 43.01 C ATOM 580 C SER A 37 -7.450 -10.104 4.904 1.00 42.35 C ATOM 581 O SER A 37 -7.042 -9.567 5.935 1.00 72.44 O ATOM 582 CB SER A 37 -9.882 -9.511 4.502 1.00 2.50 C ATOM 583 OG SER A 37 -10.314 -10.864 4.442 1.00 41.04 O ATOM 0 H SER A 37 -9.231 -10.337 2.297 1.00 70.01 H new ATOM 0 HA SER A 37 -8.153 -8.317 3.986 1.00 43.01 H new ATOM 0 HB2 SER A 37 -9.939 -9.152 5.530 1.00 2.50 H new ATOM 0 HB3 SER A 37 -10.549 -8.886 3.909 1.00 2.50 H new ATOM 0 HG SER A 37 -11.232 -10.929 4.778 1.00 41.04 H new ATOM 589 N GLN A 38 -7.076 -11.339 4.515 1.00 35.41 N ATOM 590 CA GLN A 38 -6.051 -12.128 5.220 1.00 45.41 C ATOM 591 C GLN A 38 -4.657 -11.482 5.051 1.00 2.45 C ATOM 592 O GLN A 38 -3.878 -11.446 6.017 1.00 64.12 O ATOM 593 CB GLN A 38 -6.035 -13.602 4.730 1.00 14.12 C ATOM 594 CG GLN A 38 -7.253 -14.454 5.165 1.00 3.42 C ATOM 595 CD GLN A 38 -8.601 -14.032 4.567 1.00 53.23 C ATOM 596 OE1 GLN A 38 -8.608 -13.628 3.301 1.00 3.31 O flip ATOM 597 NE2 GLN A 38 -9.643 -14.127 5.222 1.00 24.23 N flip ATOM 0 H GLN A 38 -7.475 -11.815 3.706 1.00 35.41 H new ATOM 0 HA GLN A 38 -6.305 -12.133 6.280 1.00 45.41 H new ATOM 0 HB2 GLN A 38 -5.979 -13.606 3.641 1.00 14.12 H new ATOM 0 HB3 GLN A 38 -5.127 -14.081 5.097 1.00 14.12 H new ATOM 0 HG2 GLN A 38 -7.064 -15.492 4.893 1.00 3.42 H new ATOM 0 HG3 GLN A 38 -7.330 -14.418 6.252 1.00 3.42 H new ATOM 0 HE21 GLN A 38 -9.609 -14.440 6.192 1.00 24.23 H new ATOM 0 HE22 GLN A 38 -10.538 -13.893 4.793 1.00 24.23 H new ATOM 606 N ASP A 39 -4.353 -10.976 3.819 1.00 22.32 N ATOM 607 CA ASP A 39 -3.144 -10.152 3.563 1.00 72.52 C ATOM 608 C ASP A 39 -3.133 -8.948 4.503 1.00 23.24 C ATOM 609 O ASP A 39 -2.196 -8.767 5.266 1.00 0.20 O ATOM 610 CB ASP A 39 -3.066 -9.626 2.097 1.00 73.15 C ATOM 611 CG ASP A 39 -2.832 -10.722 1.050 1.00 51.03 C ATOM 612 OD1 ASP A 39 -1.663 -11.104 0.837 1.00 74.32 O ATOM 613 OD2 ASP A 39 -3.812 -11.221 0.461 1.00 30.41 O ATOM 0 H ASP A 39 -4.931 -11.127 2.993 1.00 22.32 H new ATOM 0 HA ASP A 39 -2.285 -10.800 3.736 1.00 72.52 H new ATOM 0 HB2 ASP A 39 -3.993 -9.104 1.860 1.00 73.15 H new ATOM 0 HB3 ASP A 39 -2.261 -8.894 2.027 1.00 73.15 H new ATOM 618 N ILE A 40 -4.247 -8.188 4.460 1.00 41.12 N ATOM 619 CA ILE A 40 -4.455 -6.953 5.243 1.00 51.24 C ATOM 620 C ILE A 40 -4.123 -7.165 6.736 1.00 10.42 C ATOM 621 O ILE A 40 -3.204 -6.525 7.264 1.00 35.42 O ATOM 622 CB ILE A 40 -5.940 -6.467 5.051 1.00 34.32 C ATOM 623 CG1 ILE A 40 -6.140 -5.934 3.593 1.00 65.41 C ATOM 624 CG2 ILE A 40 -6.371 -5.430 6.114 1.00 24.41 C ATOM 625 CD1 ILE A 40 -7.564 -5.577 3.231 1.00 24.24 C ATOM 0 H ILE A 40 -5.044 -8.421 3.867 1.00 41.12 H new ATOM 0 HA ILE A 40 -3.775 -6.183 4.878 1.00 51.24 H new ATOM 0 HB ILE A 40 -6.596 -7.325 5.200 1.00 34.32 H new ATOM 0 HG12 ILE A 40 -5.515 -5.052 3.456 1.00 65.41 H new ATOM 0 HG13 ILE A 40 -5.782 -6.690 2.894 1.00 65.41 H new ATOM 0 HG21 ILE A 40 -7.403 -5.131 5.933 1.00 24.41 H new ATOM 0 HG22 ILE A 40 -6.291 -5.872 7.107 1.00 24.41 H new ATOM 0 HG23 ILE A 40 -5.723 -4.555 6.053 1.00 24.41 H new ATOM 0 HD11 ILE A 40 -7.599 -5.218 2.202 1.00 24.24 H new ATOM 0 HD12 ILE A 40 -8.197 -6.459 3.329 1.00 24.24 H new ATOM 0 HD13 ILE A 40 -7.925 -4.796 3.900 1.00 24.24 H new ATOM 637 N ARG A 41 -4.831 -8.129 7.360 1.00 73.24 N ATOM 638 CA ARG A 41 -4.642 -8.510 8.774 1.00 55.31 C ATOM 639 C ARG A 41 -3.157 -8.786 9.095 1.00 25.32 C ATOM 640 O ARG A 41 -2.606 -8.214 10.035 1.00 40.10 O ATOM 641 CB ARG A 41 -5.519 -9.756 9.088 1.00 42.31 C ATOM 642 CG ARG A 41 -7.029 -9.447 9.233 1.00 1.44 C ATOM 643 CD ARG A 41 -7.368 -8.782 10.578 1.00 35.04 C ATOM 644 NE ARG A 41 -7.018 -9.669 11.707 1.00 1.44 N ATOM 645 CZ ARG A 41 -7.053 -9.349 13.013 1.00 52.14 C ATOM 646 NH1 ARG A 41 -7.418 -8.135 13.421 1.00 11.42 N ATOM 647 NH2 ARG A 41 -6.730 -10.270 13.916 1.00 20.02 N ATOM 0 H ARG A 41 -5.557 -8.670 6.891 1.00 73.24 H new ATOM 0 HA ARG A 41 -4.953 -7.678 9.406 1.00 55.31 H new ATOM 0 HB2 ARG A 41 -5.384 -10.491 8.294 1.00 42.31 H new ATOM 0 HB3 ARG A 41 -5.163 -10.214 10.011 1.00 42.31 H new ATOM 0 HG2 ARG A 41 -7.343 -8.793 8.419 1.00 1.44 H new ATOM 0 HG3 ARG A 41 -7.597 -10.372 9.136 1.00 1.44 H new ATOM 0 HD2 ARG A 41 -6.827 -7.840 10.669 1.00 35.04 H new ATOM 0 HD3 ARG A 41 -8.431 -8.544 10.613 1.00 35.04 H new ATOM 0 HE ARG A 41 -6.721 -10.616 11.473 1.00 1.44 H new ATOM 0 HH11 ARG A 41 -7.679 -7.424 12.737 1.00 11.42 H new ATOM 0 HH12 ARG A 41 -7.437 -7.916 14.417 1.00 11.42 H new ATOM 0 HH21 ARG A 41 -6.460 -11.206 13.615 1.00 20.02 H new ATOM 0 HH22 ARG A 41 -6.752 -10.040 14.909 1.00 20.02 H new ATOM 661 N ASP A 42 -2.527 -9.601 8.231 1.00 11.01 N ATOM 662 CA ASP A 42 -1.107 -9.997 8.336 1.00 2.34 C ATOM 663 C ASP A 42 -0.155 -8.770 8.269 1.00 4.21 C ATOM 664 O ASP A 42 0.842 -8.712 9.001 1.00 72.30 O ATOM 665 CB ASP A 42 -0.778 -11.007 7.199 1.00 63.34 C ATOM 666 CG ASP A 42 0.663 -11.534 7.227 1.00 55.11 C ATOM 667 OD1 ASP A 42 1.022 -12.263 8.179 1.00 53.12 O ATOM 668 OD2 ASP A 42 1.446 -11.227 6.303 1.00 51.45 O ATOM 0 H ASP A 42 -2.997 -10.012 7.424 1.00 11.01 H new ATOM 0 HA ASP A 42 -0.950 -10.466 9.307 1.00 2.34 H new ATOM 0 HB2 ASP A 42 -1.464 -11.851 7.268 1.00 63.34 H new ATOM 0 HB3 ASP A 42 -0.959 -10.527 6.237 1.00 63.34 H new ATOM 673 N ILE A 43 -0.509 -7.783 7.416 1.00 51.22 N ATOM 674 CA ILE A 43 0.278 -6.545 7.213 1.00 71.12 C ATOM 675 C ILE A 43 0.228 -5.651 8.472 1.00 32.11 C ATOM 676 O ILE A 43 1.262 -5.227 8.992 1.00 11.23 O ATOM 677 CB ILE A 43 -0.268 -5.745 5.967 1.00 44.52 C ATOM 678 CG1 ILE A 43 -0.137 -6.584 4.658 1.00 34.33 C ATOM 679 CG2 ILE A 43 0.434 -4.379 5.804 1.00 22.31 C ATOM 680 CD1 ILE A 43 -0.941 -6.041 3.488 1.00 53.43 C ATOM 0 H ILE A 43 -1.354 -7.823 6.846 1.00 51.22 H new ATOM 0 HA ILE A 43 1.314 -6.829 7.028 1.00 71.12 H new ATOM 0 HB ILE A 43 -1.325 -5.554 6.152 1.00 44.52 H new ATOM 0 HG12 ILE A 43 0.914 -6.630 4.372 1.00 34.33 H new ATOM 0 HG13 ILE A 43 -0.457 -7.606 4.861 1.00 34.33 H new ATOM 0 HG21 ILE A 43 0.027 -3.862 4.935 1.00 22.31 H new ATOM 0 HG22 ILE A 43 0.267 -3.775 6.696 1.00 22.31 H new ATOM 0 HG23 ILE A 43 1.504 -4.534 5.666 1.00 22.31 H new ATOM 0 HD11 ILE A 43 -0.795 -6.681 2.618 1.00 53.43 H new ATOM 0 HD12 ILE A 43 -1.999 -6.022 3.751 1.00 53.43 H new ATOM 0 HD13 ILE A 43 -0.607 -5.030 3.255 1.00 53.43 H new ATOM 692 N ILE A 44 -0.994 -5.414 8.965 1.00 31.03 N ATOM 693 CA ILE A 44 -1.262 -4.505 10.092 1.00 52.00 C ATOM 694 C ILE A 44 -0.688 -5.070 11.416 1.00 40.20 C ATOM 695 O ILE A 44 -0.266 -4.306 12.288 1.00 4.51 O ATOM 696 CB ILE A 44 -2.811 -4.198 10.168 1.00 45.35 C ATOM 697 CG1 ILE A 44 -3.263 -3.490 8.840 1.00 1.40 C ATOM 698 CG2 ILE A 44 -3.182 -3.344 11.406 1.00 53.23 C ATOM 699 CD1 ILE A 44 -4.747 -3.211 8.723 1.00 61.12 C ATOM 0 H ILE A 44 -1.835 -5.852 8.590 1.00 31.03 H new ATOM 0 HA ILE A 44 -0.748 -3.558 9.927 1.00 52.00 H new ATOM 0 HB ILE A 44 -3.341 -5.144 10.278 1.00 45.35 H new ATOM 0 HG12 ILE A 44 -2.725 -2.546 8.751 1.00 1.40 H new ATOM 0 HG13 ILE A 44 -2.960 -4.110 7.997 1.00 1.40 H new ATOM 0 HG21 ILE A 44 -4.256 -3.160 11.413 1.00 53.23 H new ATOM 0 HG22 ILE A 44 -2.899 -3.877 12.314 1.00 53.23 H new ATOM 0 HG23 ILE A 44 -2.652 -2.393 11.364 1.00 53.23 H new ATOM 0 HD11 ILE A 44 -4.951 -2.721 7.771 1.00 61.12 H new ATOM 0 HD12 ILE A 44 -5.299 -4.150 8.774 1.00 61.12 H new ATOM 0 HD13 ILE A 44 -5.061 -2.561 9.540 1.00 61.12 H new ATOM 711 N LYS A 45 -0.602 -6.416 11.511 1.00 72.54 N ATOM 712 CA LYS A 45 0.081 -7.109 12.630 1.00 51.44 C ATOM 713 C LYS A 45 1.587 -6.807 12.631 1.00 34.44 C ATOM 714 O LYS A 45 2.196 -6.614 13.693 1.00 23.31 O ATOM 715 CB LYS A 45 -0.151 -8.636 12.563 1.00 20.20 C ATOM 716 CG LYS A 45 -1.606 -9.061 12.805 1.00 20.40 C ATOM 717 CD LYS A 45 -1.809 -10.582 12.657 1.00 2.23 C ATOM 718 CE LYS A 45 -3.283 -10.999 12.751 1.00 43.41 C ATOM 719 NZ LYS A 45 -3.451 -12.477 12.679 1.00 44.02 N ATOM 0 H LYS A 45 -1.001 -7.050 10.819 1.00 72.54 H new ATOM 0 HA LYS A 45 -0.349 -6.732 13.558 1.00 51.44 H new ATOM 0 HB2 LYS A 45 0.164 -8.998 11.584 1.00 20.20 H new ATOM 0 HB3 LYS A 45 0.486 -9.122 13.302 1.00 20.20 H new ATOM 0 HG2 LYS A 45 -1.910 -8.753 13.806 1.00 20.40 H new ATOM 0 HG3 LYS A 45 -2.255 -8.541 12.101 1.00 20.40 H new ATOM 0 HD2 LYS A 45 -1.405 -10.906 11.698 1.00 2.23 H new ATOM 0 HD3 LYS A 45 -1.241 -11.097 13.432 1.00 2.23 H new ATOM 0 HE2 LYS A 45 -3.705 -10.631 13.687 1.00 43.41 H new ATOM 0 HE3 LYS A 45 -3.844 -10.531 11.943 1.00 43.41 H new ATOM 0 HZ1 LYS A 45 -4.461 -12.715 12.746 1.00 44.02 H new ATOM 0 HZ2 LYS A 45 -3.072 -12.826 11.775 1.00 44.02 H new ATOM 0 HZ3 LYS A 45 -2.937 -12.924 13.465 1.00 44.02 H new ATOM 733 N SER A 46 2.168 -6.754 11.428 1.00 53.14 N ATOM 734 CA SER A 46 3.576 -6.404 11.221 1.00 22.35 C ATOM 735 C SER A 46 3.828 -4.922 11.537 1.00 54.31 C ATOM 736 O SER A 46 4.889 -4.564 12.026 1.00 3.12 O ATOM 737 CB SER A 46 3.952 -6.719 9.766 1.00 43.10 C ATOM 738 OG SER A 46 3.670 -8.075 9.459 1.00 64.03 O ATOM 0 H SER A 46 1.668 -6.955 10.562 1.00 53.14 H new ATOM 0 HA SER A 46 4.198 -6.991 11.898 1.00 22.35 H new ATOM 0 HB2 SER A 46 3.398 -6.065 9.092 1.00 43.10 H new ATOM 0 HB3 SER A 46 5.011 -6.517 9.607 1.00 43.10 H new ATOM 0 HG SER A 46 2.707 -8.183 9.310 1.00 64.03 H new ATOM 744 N MET A 47 2.824 -4.066 11.285 1.00 50.43 N ATOM 745 CA MET A 47 2.936 -2.623 11.565 1.00 45.01 C ATOM 746 C MET A 47 2.954 -2.344 13.085 1.00 4.11 C ATOM 747 O MET A 47 3.333 -1.251 13.518 1.00 75.41 O ATOM 748 CB MET A 47 1.798 -1.845 10.875 1.00 23.54 C ATOM 749 CG MET A 47 1.757 -2.011 9.348 1.00 31.24 C ATOM 750 SD MET A 47 3.343 -1.660 8.551 1.00 43.12 S ATOM 751 CE MET A 47 3.613 0.059 8.969 1.00 33.33 C ATOM 0 H MET A 47 1.927 -4.346 10.889 1.00 50.43 H new ATOM 0 HA MET A 47 3.885 -2.276 11.156 1.00 45.01 H new ATOM 0 HB2 MET A 47 0.845 -2.173 11.291 1.00 23.54 H new ATOM 0 HB3 MET A 47 1.902 -0.786 11.111 1.00 23.54 H new ATOM 0 HG2 MET A 47 1.454 -3.030 9.108 1.00 31.24 H new ATOM 0 HG3 MET A 47 0.996 -1.347 8.937 1.00 31.24 H new ATOM 0 HE1 MET A 47 4.221 0.530 8.196 1.00 33.33 H new ATOM 0 HE2 MET A 47 2.654 0.571 9.039 1.00 33.33 H new ATOM 0 HE3 MET A 47 4.130 0.124 9.927 1.00 33.33 H new ATOM 761 N LYS A 48 2.544 -3.346 13.892 1.00 34.41 N ATOM 762 CA LYS A 48 2.570 -3.258 15.363 1.00 25.25 C ATOM 763 C LYS A 48 3.921 -3.748 15.918 1.00 70.04 C ATOM 764 O LYS A 48 4.600 -3.031 16.655 1.00 1.45 O ATOM 765 CB LYS A 48 1.420 -4.087 15.980 1.00 42.30 C ATOM 766 CG LYS A 48 0.025 -3.736 15.440 1.00 41.20 C ATOM 767 CD LYS A 48 -1.109 -4.472 16.192 1.00 53.21 C ATOM 768 CE LYS A 48 -1.083 -5.999 16.005 1.00 73.45 C ATOM 769 NZ LYS A 48 -2.116 -6.694 16.828 1.00 4.12 N ATOM 0 H LYS A 48 2.187 -4.235 13.541 1.00 34.41 H new ATOM 0 HA LYS A 48 2.438 -2.211 15.636 1.00 25.25 H new ATOM 0 HB2 LYS A 48 1.612 -5.144 15.797 1.00 42.30 H new ATOM 0 HB3 LYS A 48 1.425 -3.944 17.061 1.00 42.30 H new ATOM 0 HG2 LYS A 48 -0.131 -2.660 15.519 1.00 41.20 H new ATOM 0 HG3 LYS A 48 -0.024 -3.988 14.381 1.00 41.20 H new ATOM 0 HD2 LYS A 48 -1.036 -4.243 17.255 1.00 53.21 H new ATOM 0 HD3 LYS A 48 -2.070 -4.089 15.848 1.00 53.21 H new ATOM 0 HE2 LYS A 48 -1.242 -6.236 14.953 1.00 73.45 H new ATOM 0 HE3 LYS A 48 -0.096 -6.378 16.271 1.00 73.45 H new ATOM 0 HZ1 LYS A 48 -2.356 -7.605 16.387 1.00 4.12 H new ATOM 0 HZ2 LYS A 48 -1.744 -6.859 17.785 1.00 4.12 H new ATOM 0 HZ3 LYS A 48 -2.969 -6.102 16.886 1.00 4.12 H new ATOM 816 N LYS A 52 7.807 0.780 10.944 1.00 40.21 N ATOM 817 CA LYS A 52 8.565 1.388 9.807 1.00 25.14 C ATOM 818 C LYS A 52 7.629 1.984 8.712 1.00 14.14 C ATOM 819 O LYS A 52 6.421 1.742 8.733 1.00 41.33 O ATOM 820 CB LYS A 52 9.569 0.368 9.186 1.00 74.05 C ATOM 821 CG LYS A 52 10.630 -0.187 10.165 1.00 45.33 C ATOM 822 CD LYS A 52 11.643 -1.121 9.466 1.00 54.24 C ATOM 823 CE LYS A 52 10.969 -2.296 8.742 1.00 2.50 C ATOM 824 NZ LYS A 52 11.961 -3.149 8.031 1.00 43.41 N ATOM 0 HA LYS A 52 9.133 2.219 10.224 1.00 25.14 H new ATOM 0 HB2 LYS A 52 9.005 -0.468 8.774 1.00 74.05 H new ATOM 0 HB3 LYS A 52 10.082 0.848 8.353 1.00 74.05 H new ATOM 0 HG2 LYS A 52 11.164 0.643 10.627 1.00 45.33 H new ATOM 0 HG3 LYS A 52 10.131 -0.731 10.967 1.00 45.33 H new ATOM 0 HD2 LYS A 52 12.226 -0.544 8.748 1.00 54.24 H new ATOM 0 HD3 LYS A 52 12.343 -1.510 10.206 1.00 54.24 H new ATOM 0 HE2 LYS A 52 10.420 -2.901 9.464 1.00 2.50 H new ATOM 0 HE3 LYS A 52 10.240 -1.913 8.027 1.00 2.50 H new ATOM 0 HZ1 LYS A 52 11.462 -3.881 7.486 1.00 43.41 H new ATOM 0 HZ2 LYS A 52 12.525 -2.561 7.385 1.00 43.41 H new ATOM 0 HZ3 LYS A 52 12.589 -3.602 8.725 1.00 43.41 H new ATOM 838 N PRO A 53 8.160 2.831 7.757 1.00 13.44 N ATOM 839 CA PRO A 53 7.404 3.196 6.532 1.00 33.25 C ATOM 840 C PRO A 53 7.200 1.962 5.629 1.00 21.33 C ATOM 841 O PRO A 53 8.151 1.243 5.326 1.00 60.45 O ATOM 842 CB PRO A 53 8.295 4.269 5.857 1.00 2.14 C ATOM 843 CG PRO A 53 9.676 4.019 6.388 1.00 61.01 C ATOM 844 CD PRO A 53 9.482 3.535 7.811 1.00 44.33 C ATOM 0 HA PRO A 53 6.401 3.568 6.739 1.00 33.25 H new ATOM 0 HB2 PRO A 53 8.268 4.178 4.771 1.00 2.14 H new ATOM 0 HB3 PRO A 53 7.955 5.275 6.102 1.00 2.14 H new ATOM 0 HG2 PRO A 53 10.198 3.274 5.788 1.00 61.01 H new ATOM 0 HG3 PRO A 53 10.277 4.928 6.361 1.00 61.01 H new ATOM 0 HD2 PRO A 53 10.283 2.864 8.121 1.00 44.33 H new ATOM 0 HD3 PRO A 53 9.468 4.363 8.520 1.00 44.33 H new ATOM 852 N LEU A 54 5.949 1.710 5.230 1.00 71.02 N ATOM 853 CA LEU A 54 5.586 0.549 4.401 1.00 31.34 C ATOM 854 C LEU A 54 4.733 1.026 3.216 1.00 12.20 C ATOM 855 O LEU A 54 4.243 2.150 3.217 1.00 61.23 O ATOM 856 CB LEU A 54 4.815 -0.501 5.269 1.00 31.01 C ATOM 857 CG LEU A 54 4.782 -1.955 4.705 1.00 40.35 C ATOM 858 CD1 LEU A 54 6.191 -2.570 4.695 1.00 12.14 C ATOM 859 CD2 LEU A 54 3.792 -2.852 5.475 1.00 2.12 C ATOM 0 H LEU A 54 5.156 2.305 5.472 1.00 71.02 H new ATOM 0 HA LEU A 54 6.484 0.069 4.013 1.00 31.34 H new ATOM 0 HB2 LEU A 54 5.267 -0.526 6.261 1.00 31.01 H new ATOM 0 HB3 LEU A 54 3.788 -0.157 5.395 1.00 31.01 H new ATOM 0 HG LEU A 54 4.426 -1.895 3.676 1.00 40.35 H new ATOM 0 HD11 LEU A 54 6.143 -3.584 4.298 1.00 12.14 H new ATOM 0 HD12 LEU A 54 6.847 -1.966 4.069 1.00 12.14 H new ATOM 0 HD13 LEU A 54 6.583 -2.597 5.712 1.00 12.14 H new ATOM 0 HD21 LEU A 54 3.802 -3.855 5.048 1.00 2.12 H new ATOM 0 HD22 LEU A 54 4.085 -2.901 6.524 1.00 2.12 H new ATOM 0 HD23 LEU A 54 2.788 -2.435 5.398 1.00 2.12 H new ATOM 871 N VAL A 55 4.535 0.156 2.221 1.00 35.21 N ATOM 872 CA VAL A 55 3.745 0.446 1.013 1.00 4.11 C ATOM 873 C VAL A 55 2.930 -0.813 0.690 1.00 34.23 C ATOM 874 O VAL A 55 3.499 -1.901 0.596 1.00 42.15 O ATOM 875 CB VAL A 55 4.634 0.840 -0.237 1.00 25.12 C ATOM 876 CG1 VAL A 55 3.762 1.091 -1.485 1.00 53.50 C ATOM 877 CG2 VAL A 55 5.527 2.069 0.050 1.00 0.33 C ATOM 0 H VAL A 55 4.924 -0.787 2.229 1.00 35.21 H new ATOM 0 HA VAL A 55 3.109 1.308 1.214 1.00 4.11 H new ATOM 0 HB VAL A 55 5.290 -0.007 -0.436 1.00 25.12 H new ATOM 0 HG11 VAL A 55 4.400 1.360 -2.327 1.00 53.50 H new ATOM 0 HG12 VAL A 55 3.204 0.186 -1.727 1.00 53.50 H new ATOM 0 HG13 VAL A 55 3.065 1.905 -1.284 1.00 53.50 H new ATOM 0 HG21 VAL A 55 6.119 2.303 -0.835 1.00 0.33 H new ATOM 0 HG22 VAL A 55 4.899 2.924 0.303 1.00 0.33 H new ATOM 0 HG23 VAL A 55 6.193 1.848 0.884 1.00 0.33 H new ATOM 887 N VAL A 56 1.599 -0.666 0.560 1.00 23.41 N ATOM 888 CA VAL A 56 0.683 -1.784 0.265 1.00 51.43 C ATOM 889 C VAL A 56 -0.143 -1.467 -0.992 1.00 52.02 C ATOM 890 O VAL A 56 -0.957 -0.539 -0.994 1.00 4.53 O ATOM 891 CB VAL A 56 -0.264 -2.106 1.487 1.00 30.32 C ATOM 892 CG1 VAL A 56 -1.339 -3.158 1.125 1.00 34.40 C ATOM 893 CG2 VAL A 56 0.559 -2.577 2.704 1.00 71.14 C ATOM 0 H VAL A 56 1.127 0.233 0.657 1.00 23.41 H new ATOM 0 HA VAL A 56 1.287 -2.673 0.082 1.00 51.43 H new ATOM 0 HB VAL A 56 -0.782 -1.183 1.746 1.00 30.32 H new ATOM 0 HG11 VAL A 56 -1.968 -3.349 1.994 1.00 34.40 H new ATOM 0 HG12 VAL A 56 -1.954 -2.783 0.307 1.00 34.40 H new ATOM 0 HG13 VAL A 56 -0.853 -4.084 0.818 1.00 34.40 H new ATOM 0 HG21 VAL A 56 -0.112 -2.794 3.535 1.00 71.14 H new ATOM 0 HG22 VAL A 56 1.114 -3.478 2.441 1.00 71.14 H new ATOM 0 HG23 VAL A 56 1.257 -1.793 2.996 1.00 71.14 H new ATOM 903 N PHE A 57 0.090 -2.251 -2.050 1.00 2.54 N ATOM 904 CA PHE A 57 -0.650 -2.177 -3.308 1.00 72.13 C ATOM 905 C PHE A 57 -1.915 -3.040 -3.200 1.00 30.22 C ATOM 906 O PHE A 57 -1.818 -4.259 -3.012 1.00 45.50 O ATOM 907 CB PHE A 57 0.238 -2.686 -4.476 1.00 2.23 C ATOM 908 CG PHE A 57 1.443 -1.801 -4.797 1.00 35.22 C ATOM 909 CD1 PHE A 57 2.640 -1.914 -4.089 1.00 40.41 C ATOM 910 CD2 PHE A 57 1.370 -0.842 -5.806 1.00 74.12 C ATOM 911 CE1 PHE A 57 3.718 -1.097 -4.386 1.00 1.14 C ATOM 912 CE2 PHE A 57 2.445 -0.031 -6.094 1.00 3.51 C ATOM 913 CZ PHE A 57 3.620 -0.157 -5.386 1.00 60.42 C ATOM 0 H PHE A 57 0.814 -2.969 -2.053 1.00 2.54 H new ATOM 0 HA PHE A 57 -0.930 -1.142 -3.505 1.00 72.13 H new ATOM 0 HB2 PHE A 57 0.594 -3.687 -4.233 1.00 2.23 H new ATOM 0 HB3 PHE A 57 -0.378 -2.775 -5.371 1.00 2.23 H new ATOM 0 HD1 PHE A 57 2.727 -2.647 -3.300 1.00 40.41 H new ATOM 0 HD2 PHE A 57 0.456 -0.733 -6.371 1.00 74.12 H new ATOM 0 HE1 PHE A 57 4.639 -1.198 -3.831 1.00 1.14 H new ATOM 0 HE2 PHE A 57 2.367 0.707 -6.878 1.00 3.51 H new ATOM 0 HZ PHE A 57 4.462 0.480 -5.615 1.00 60.42 H new ATOM 923 N VAL A 58 -3.088 -2.404 -3.309 1.00 41.03 N ATOM 924 CA VAL A 58 -4.381 -3.105 -3.328 1.00 34.32 C ATOM 925 C VAL A 58 -4.561 -3.736 -4.722 1.00 12.30 C ATOM 926 O VAL A 58 -5.163 -3.153 -5.628 1.00 53.03 O ATOM 927 CB VAL A 58 -5.561 -2.119 -2.973 1.00 31.20 C ATOM 928 CG1 VAL A 58 -6.942 -2.811 -3.035 1.00 64.13 C ATOM 929 CG2 VAL A 58 -5.326 -1.480 -1.588 1.00 43.32 C ATOM 0 H VAL A 58 -3.169 -1.390 -3.387 1.00 41.03 H new ATOM 0 HA VAL A 58 -4.397 -3.890 -2.572 1.00 34.32 H new ATOM 0 HB VAL A 58 -5.569 -1.333 -3.728 1.00 31.20 H new ATOM 0 HG11 VAL A 58 -7.721 -2.092 -2.783 1.00 64.13 H new ATOM 0 HG12 VAL A 58 -7.113 -3.193 -4.042 1.00 64.13 H new ATOM 0 HG13 VAL A 58 -6.967 -3.637 -2.324 1.00 64.13 H new ATOM 0 HG21 VAL A 58 -6.147 -0.802 -1.356 1.00 43.32 H new ATOM 0 HG22 VAL A 58 -5.276 -2.262 -0.830 1.00 43.32 H new ATOM 0 HG23 VAL A 58 -4.389 -0.924 -1.598 1.00 43.32 H new ATOM 939 N ASN A 59 -3.965 -4.920 -4.883 1.00 1.54 N ATOM 940 CA ASN A 59 -3.830 -5.610 -6.172 1.00 3.24 C ATOM 941 C ASN A 59 -4.662 -6.891 -6.150 1.00 50.32 C ATOM 942 O ASN A 59 -4.304 -7.841 -5.454 1.00 61.11 O ATOM 943 CB ASN A 59 -2.327 -5.934 -6.398 1.00 13.31 C ATOM 944 CG ASN A 59 -2.021 -6.635 -7.726 1.00 74.32 C ATOM 945 OD1 ASN A 59 -2.657 -6.376 -8.744 1.00 3.22 O ATOM 946 ND2 ASN A 59 -1.052 -7.542 -7.720 1.00 32.22 N ATOM 0 H ASN A 59 -3.554 -5.438 -4.106 1.00 1.54 H new ATOM 0 HA ASN A 59 -4.190 -4.981 -6.986 1.00 3.24 H new ATOM 0 HB2 ASN A 59 -1.757 -5.006 -6.352 1.00 13.31 H new ATOM 0 HB3 ASN A 59 -1.977 -6.564 -5.580 1.00 13.31 H new ATOM 0 HD21 ASN A 59 -0.819 -8.045 -8.576 1.00 32.22 H new ATOM 0 HD22 ASN A 59 -0.541 -7.736 -6.859 1.00 32.22 H new ATOM 953 N GLY A 60 -5.778 -6.906 -6.899 1.00 71.01 N ATOM 954 CA GLY A 60 -6.698 -8.050 -6.913 1.00 33.51 C ATOM 955 C GLY A 60 -7.679 -8.022 -5.748 1.00 32.31 C ATOM 956 O GLY A 60 -8.208 -9.064 -5.348 1.00 43.34 O ATOM 0 H GLY A 60 -6.063 -6.135 -7.503 1.00 71.01 H new ATOM 0 HA2 GLY A 60 -7.253 -8.055 -7.851 1.00 33.51 H new ATOM 0 HA3 GLY A 60 -6.123 -8.975 -6.878 1.00 33.51 H new ATOM 960 N ALA A 61 -7.917 -6.813 -5.213 1.00 11.11 N ATOM 961 CA ALA A 61 -8.833 -6.574 -4.081 1.00 54.21 C ATOM 962 C ALA A 61 -9.821 -5.438 -4.442 1.00 12.42 C ATOM 963 O ALA A 61 -9.882 -5.015 -5.606 1.00 72.23 O ATOM 964 CB ALA A 61 -8.011 -6.264 -2.819 1.00 73.55 C ATOM 0 H ALA A 61 -7.474 -5.962 -5.558 1.00 11.11 H new ATOM 0 HA ALA A 61 -9.428 -7.464 -3.874 1.00 54.21 H new ATOM 0 HB1 ALA A 61 -8.685 -6.087 -1.981 1.00 73.55 H new ATOM 0 HB2 ALA A 61 -7.362 -7.109 -2.591 1.00 73.55 H new ATOM 0 HB3 ALA A 61 -7.403 -5.376 -2.990 1.00 73.55 H new ATOM 970 N SER A 62 -10.581 -4.944 -3.448 1.00 23.41 N ATOM 971 CA SER A 62 -11.685 -3.986 -3.669 1.00 60.02 C ATOM 972 C SER A 62 -11.797 -3.010 -2.482 1.00 31.13 C ATOM 973 O SER A 62 -11.195 -3.228 -1.426 1.00 74.10 O ATOM 974 CB SER A 62 -13.011 -4.766 -3.872 1.00 1.53 C ATOM 975 OG SER A 62 -13.329 -5.543 -2.725 1.00 52.23 O ATOM 0 H SER A 62 -10.449 -5.196 -2.469 1.00 23.41 H new ATOM 0 HA SER A 62 -11.480 -3.399 -4.564 1.00 60.02 H new ATOM 0 HB2 SER A 62 -13.821 -4.066 -4.076 1.00 1.53 H new ATOM 0 HB3 SER A 62 -12.924 -5.416 -4.743 1.00 1.53 H new ATOM 0 HG SER A 62 -12.538 -5.619 -2.152 1.00 52.23 H new ATOM 981 N GLN A 63 -12.610 -1.946 -2.659 1.00 10.04 N ATOM 982 CA GLN A 63 -12.828 -0.907 -1.627 1.00 25.03 C ATOM 983 C GLN A 63 -13.520 -1.499 -0.369 1.00 55.14 C ATOM 984 O GLN A 63 -13.401 -0.944 0.727 1.00 12.42 O ATOM 985 CB GLN A 63 -13.642 0.284 -2.217 1.00 63.30 C ATOM 986 CG GLN A 63 -13.774 1.509 -1.278 1.00 43.30 C ATOM 987 CD GLN A 63 -12.433 2.187 -0.951 1.00 3.11 C ATOM 988 OE1 GLN A 63 -11.515 2.243 -1.776 1.00 11.41 O ATOM 989 NE2 GLN A 63 -12.296 2.676 0.264 1.00 44.22 N ATOM 0 H GLN A 63 -13.133 -1.783 -3.519 1.00 10.04 H new ATOM 0 HA GLN A 63 -11.855 -0.529 -1.312 1.00 25.03 H new ATOM 0 HB2 GLN A 63 -13.169 0.605 -3.145 1.00 63.30 H new ATOM 0 HB3 GLN A 63 -14.641 -0.069 -2.474 1.00 63.30 H new ATOM 0 HG2 GLN A 63 -14.437 2.240 -1.741 1.00 43.30 H new ATOM 0 HG3 GLN A 63 -14.247 1.193 -0.348 1.00 43.30 H new ATOM 0 HE21 GLN A 63 -13.069 2.618 0.927 1.00 44.22 H new ATOM 0 HE22 GLN A 63 -11.417 3.113 0.542 1.00 44.22 H new ATOM 998 N ASN A 64 -14.211 -2.644 -0.548 1.00 64.22 N ATOM 999 CA ASN A 64 -14.900 -3.367 0.547 1.00 41.25 C ATOM 1000 C ASN A 64 -13.898 -3.813 1.642 1.00 41.20 C ATOM 1001 O ASN A 64 -14.111 -3.569 2.839 1.00 24.22 O ATOM 1002 CB ASN A 64 -15.684 -4.594 -0.013 1.00 41.23 C ATOM 1003 CG ASN A 64 -16.701 -4.239 -1.115 1.00 53.41 C ATOM 1004 OD1 ASN A 64 -16.475 -3.352 -1.939 1.00 43.41 O ATOM 1005 ND2 ASN A 64 -17.835 -4.915 -1.139 1.00 34.22 N ATOM 0 H ASN A 64 -14.308 -3.096 -1.457 1.00 64.22 H new ATOM 0 HA ASN A 64 -15.612 -2.681 1.005 1.00 41.25 H new ATOM 0 HB2 ASN A 64 -14.971 -5.317 -0.410 1.00 41.23 H new ATOM 0 HB3 ASN A 64 -16.209 -5.082 0.808 1.00 41.23 H new ATOM 0 HD21 ASN A 64 -18.539 -4.705 -1.847 1.00 34.22 H new ATOM 0 HD22 ASN A 64 -18.007 -5.647 -0.450 1.00 34.22 H new ATOM 1012 N ASP A 65 -12.784 -4.425 1.194 1.00 10.45 N ATOM 1013 CA ASP A 65 -11.697 -4.882 2.088 1.00 11.13 C ATOM 1014 C ASP A 65 -10.745 -3.720 2.440 1.00 31.14 C ATOM 1015 O ASP A 65 -10.111 -3.749 3.491 1.00 60.30 O ATOM 1016 CB ASP A 65 -10.926 -6.090 1.488 1.00 41.14 C ATOM 1017 CG ASP A 65 -10.364 -5.832 0.092 1.00 51.21 C ATOM 1018 OD1 ASP A 65 -9.317 -5.162 -0.030 1.00 32.14 O ATOM 1019 OD2 ASP A 65 -10.979 -6.298 -0.897 1.00 34.33 O ATOM 0 H ASP A 65 -12.611 -4.617 0.207 1.00 10.45 H new ATOM 0 HA ASP A 65 -12.157 -5.227 3.014 1.00 11.13 H new ATOM 0 HB2 ASP A 65 -10.106 -6.354 2.156 1.00 41.14 H new ATOM 0 HB3 ASP A 65 -11.593 -6.951 1.447 1.00 41.14 H new ATOM 1024 N VAL A 66 -10.684 -2.680 1.574 1.00 34.21 N ATOM 1025 CA VAL A 66 -9.882 -1.459 1.842 1.00 0.43 C ATOM 1026 C VAL A 66 -10.423 -0.721 3.075 1.00 51.44 C ATOM 1027 O VAL A 66 -9.647 -0.207 3.888 1.00 11.44 O ATOM 1028 CB VAL A 66 -9.859 -0.490 0.602 1.00 35.54 C ATOM 1029 CG1 VAL A 66 -9.339 0.920 0.962 1.00 63.22 C ATOM 1030 CG2 VAL A 66 -9.019 -1.092 -0.539 1.00 24.04 C ATOM 0 H VAL A 66 -11.180 -2.661 0.683 1.00 34.21 H new ATOM 0 HA VAL A 66 -8.858 -1.779 2.035 1.00 0.43 H new ATOM 0 HB VAL A 66 -10.891 -0.378 0.269 1.00 35.54 H new ATOM 0 HG11 VAL A 66 -9.344 1.548 0.071 1.00 63.22 H new ATOM 0 HG12 VAL A 66 -9.984 1.363 1.721 1.00 63.22 H new ATOM 0 HG13 VAL A 66 -8.322 0.845 1.348 1.00 63.22 H new ATOM 0 HG21 VAL A 66 -9.015 -0.408 -1.388 1.00 24.04 H new ATOM 0 HG22 VAL A 66 -7.997 -1.249 -0.194 1.00 24.04 H new ATOM 0 HG23 VAL A 66 -9.450 -2.046 -0.844 1.00 24.04 H new ATOM 1040 N ASN A 67 -11.758 -0.688 3.211 1.00 53.14 N ATOM 1041 CA ASN A 67 -12.421 -0.080 4.383 1.00 63.34 C ATOM 1042 C ASN A 67 -12.109 -0.879 5.655 1.00 2.44 C ATOM 1043 O ASN A 67 -12.006 -0.306 6.739 1.00 54.21 O ATOM 1044 CB ASN A 67 -13.953 0.028 4.179 1.00 64.32 C ATOM 1045 CG ASN A 67 -14.346 1.025 3.092 1.00 41.24 C ATOM 1046 OD1 ASN A 67 -13.659 2.027 2.862 1.00 74.34 O ATOM 1047 ND2 ASN A 67 -15.453 0.763 2.416 1.00 4.03 N ATOM 0 H ASN A 67 -12.404 -1.076 2.523 1.00 53.14 H new ATOM 0 HA ASN A 67 -12.027 0.930 4.495 1.00 63.34 H new ATOM 0 HB2 ASN A 67 -14.349 -0.955 3.922 1.00 64.32 H new ATOM 0 HB3 ASN A 67 -14.418 0.323 5.119 1.00 64.32 H new ATOM 0 HD21 ASN A 67 -15.763 1.397 1.679 1.00 4.03 H new ATOM 0 HD22 ASN A 67 -15.996 -0.073 2.631 1.00 4.03 H new ATOM 1054 N GLU A 68 -11.946 -2.210 5.492 1.00 0.24 N ATOM 1055 CA GLU A 68 -11.506 -3.102 6.577 1.00 54.13 C ATOM 1056 C GLU A 68 -10.050 -2.806 6.964 1.00 2.25 C ATOM 1057 O GLU A 68 -9.719 -2.828 8.134 1.00 43.23 O ATOM 1058 CB GLU A 68 -11.664 -4.593 6.181 1.00 15.13 C ATOM 1059 CG GLU A 68 -13.116 -5.050 5.985 1.00 24.31 C ATOM 1060 CD GLU A 68 -13.239 -6.556 5.726 1.00 11.35 C ATOM 1061 OE1 GLU A 68 -12.975 -7.351 6.662 1.00 53.22 O ATOM 1062 OE2 GLU A 68 -13.611 -6.958 4.600 1.00 62.21 O ATOM 0 H GLU A 68 -12.116 -2.690 4.608 1.00 0.24 H new ATOM 0 HA GLU A 68 -12.144 -2.912 7.440 1.00 54.13 H new ATOM 0 HB2 GLU A 68 -11.113 -4.771 5.258 1.00 15.13 H new ATOM 0 HB3 GLU A 68 -11.203 -5.211 6.951 1.00 15.13 H new ATOM 0 HG2 GLU A 68 -13.696 -4.791 6.871 1.00 24.31 H new ATOM 0 HG3 GLU A 68 -13.553 -4.506 5.148 1.00 24.31 H new ATOM 1069 N PHE A 69 -9.195 -2.504 5.958 1.00 24.41 N ATOM 1070 CA PHE A 69 -7.786 -2.114 6.189 1.00 14.15 C ATOM 1071 C PHE A 69 -7.738 -0.854 7.063 1.00 64.31 C ATOM 1072 O PHE A 69 -6.999 -0.801 8.037 1.00 54.42 O ATOM 1073 CB PHE A 69 -7.033 -1.869 4.842 1.00 24.23 C ATOM 1074 CG PHE A 69 -5.557 -1.463 4.990 1.00 64.14 C ATOM 1075 CD1 PHE A 69 -5.187 -0.121 5.159 1.00 62.31 C ATOM 1076 CD2 PHE A 69 -4.539 -2.422 4.972 1.00 72.43 C ATOM 1077 CE1 PHE A 69 -3.862 0.243 5.298 1.00 31.05 C ATOM 1078 CE2 PHE A 69 -3.213 -2.052 5.109 1.00 65.24 C ATOM 1079 CZ PHE A 69 -2.877 -0.721 5.276 1.00 12.01 C ATOM 0 H PHE A 69 -9.460 -2.524 4.973 1.00 24.41 H new ATOM 0 HA PHE A 69 -7.283 -2.933 6.703 1.00 14.15 H new ATOM 0 HB2 PHE A 69 -7.086 -2.778 4.242 1.00 24.23 H new ATOM 0 HB3 PHE A 69 -7.555 -1.090 4.287 1.00 24.23 H new ATOM 0 HD1 PHE A 69 -5.952 0.641 5.181 1.00 62.31 H new ATOM 0 HD2 PHE A 69 -4.791 -3.465 4.850 1.00 72.43 H new ATOM 0 HE1 PHE A 69 -3.598 1.283 5.424 1.00 31.05 H new ATOM 0 HE2 PHE A 69 -2.439 -2.804 5.085 1.00 65.24 H new ATOM 0 HZ PHE A 69 -1.841 -0.436 5.389 1.00 12.01 H new ATOM 1089 N GLN A 70 -8.536 0.152 6.660 1.00 11.13 N ATOM 1090 CA GLN A 70 -8.670 1.430 7.375 1.00 63.32 C ATOM 1091 C GLN A 70 -9.108 1.233 8.845 1.00 43.33 C ATOM 1092 O GLN A 70 -8.517 1.832 9.751 1.00 14.20 O ATOM 1093 CB GLN A 70 -9.664 2.355 6.623 1.00 22.10 C ATOM 1094 CG GLN A 70 -9.226 2.729 5.186 1.00 15.35 C ATOM 1095 CD GLN A 70 -10.228 3.624 4.457 1.00 61.24 C ATOM 1096 OE1 GLN A 70 -10.944 4.407 5.082 1.00 50.11 O ATOM 1097 NE2 GLN A 70 -10.276 3.542 3.130 1.00 74.22 N ATOM 0 H GLN A 70 -9.111 0.097 5.819 1.00 11.13 H new ATOM 0 HA GLN A 70 -7.688 1.902 7.399 1.00 63.32 H new ATOM 0 HB2 GLN A 70 -10.636 1.863 6.577 1.00 22.10 H new ATOM 0 HB3 GLN A 70 -9.797 3.271 7.199 1.00 22.10 H new ATOM 0 HG2 GLN A 70 -8.262 3.236 5.229 1.00 15.35 H new ATOM 0 HG3 GLN A 70 -9.080 1.815 4.610 1.00 15.35 H new ATOM 0 HE21 GLN A 70 -9.672 2.884 2.637 1.00 74.22 H new ATOM 0 HE22 GLN A 70 -10.917 4.137 2.605 1.00 74.22 H new ATOM 1106 N ASN A 71 -10.121 0.363 9.054 1.00 73.40 N ATOM 1107 CA ASN A 71 -10.678 0.055 10.396 1.00 44.25 C ATOM 1108 C ASN A 71 -9.649 -0.691 11.262 1.00 41.03 C ATOM 1109 O ASN A 71 -9.315 -0.243 12.368 1.00 50.41 O ATOM 1110 CB ASN A 71 -11.995 -0.772 10.277 1.00 73.23 C ATOM 1111 CG ASN A 71 -13.144 0.000 9.625 1.00 40.40 C ATOM 1112 OD1 ASN A 71 -13.251 1.225 9.758 1.00 51.24 O ATOM 1113 ND2 ASN A 71 -14.008 -0.707 8.912 1.00 63.14 N ATOM 0 H ASN A 71 -10.578 -0.147 8.298 1.00 73.40 H new ATOM 0 HA ASN A 71 -10.912 1.001 10.884 1.00 44.25 H new ATOM 0 HB2 ASN A 71 -11.798 -1.673 9.696 1.00 73.23 H new ATOM 0 HB3 ASN A 71 -12.303 -1.095 11.271 1.00 73.23 H new ATOM 0 HD21 ASN A 71 -14.791 -0.242 8.452 1.00 63.14 H new ATOM 0 HD22 ASN A 71 -13.890 -1.716 8.823 1.00 63.14 H new ATOM 1120 N GLU A 72 -9.176 -1.842 10.751 1.00 41.53 N ATOM 1121 CA GLU A 72 -8.121 -2.646 11.387 1.00 32.13 C ATOM 1122 C GLU A 72 -6.855 -1.835 11.729 1.00 65.21 C ATOM 1123 O GLU A 72 -6.238 -2.079 12.762 1.00 1.52 O ATOM 1124 CB GLU A 72 -7.755 -3.868 10.509 1.00 55.44 C ATOM 1125 CG GLU A 72 -8.877 -4.913 10.347 1.00 61.32 C ATOM 1126 CD GLU A 72 -9.511 -5.351 11.679 1.00 51.43 C ATOM 1127 OE1 GLU A 72 -8.782 -5.837 12.565 1.00 73.21 O ATOM 1128 OE2 GLU A 72 -10.741 -5.208 11.848 1.00 23.43 O ATOM 0 H GLU A 72 -9.519 -2.242 9.878 1.00 41.53 H new ATOM 0 HA GLU A 72 -8.535 -2.991 12.334 1.00 32.13 H new ATOM 0 HB2 GLU A 72 -7.465 -3.512 9.520 1.00 55.44 H new ATOM 0 HB3 GLU A 72 -6.882 -4.358 10.940 1.00 55.44 H new ATOM 0 HG2 GLU A 72 -9.654 -4.502 9.703 1.00 61.32 H new ATOM 0 HG3 GLU A 72 -8.474 -5.790 9.841 1.00 61.32 H new ATOM 1135 N ALA A 73 -6.466 -0.887 10.872 1.00 15.34 N ATOM 1136 CA ALA A 73 -5.313 -0.008 11.141 1.00 52.15 C ATOM 1137 C ALA A 73 -5.593 0.966 12.304 1.00 15.14 C ATOM 1138 O ALA A 73 -4.866 0.968 13.305 1.00 13.41 O ATOM 1139 CB ALA A 73 -4.923 0.749 9.867 1.00 50.52 C ATOM 0 H ALA A 73 -6.931 -0.704 9.983 1.00 15.34 H new ATOM 0 HA ALA A 73 -4.475 -0.634 11.448 1.00 52.15 H new ATOM 0 HB1 ALA A 73 -4.071 1.396 10.075 1.00 50.52 H new ATOM 0 HB2 ALA A 73 -4.656 0.036 9.087 1.00 50.52 H new ATOM 0 HB3 ALA A 73 -5.765 1.355 9.532 1.00 50.52 H new ATOM 1145 N LYS A 74 -6.682 1.755 12.172 1.00 34.12 N ATOM 1146 CA LYS A 74 -7.021 2.827 13.136 1.00 63.15 C ATOM 1147 C LYS A 74 -7.298 2.289 14.565 1.00 42.22 C ATOM 1148 O LYS A 74 -7.051 3.001 15.544 1.00 61.10 O ATOM 1149 CB LYS A 74 -8.220 3.685 12.626 1.00 13.14 C ATOM 1150 CG LYS A 74 -9.587 2.960 12.602 1.00 2.01 C ATOM 1151 CD LYS A 74 -10.752 3.824 12.059 1.00 14.23 C ATOM 1152 CE LYS A 74 -11.071 5.048 12.941 1.00 54.15 C ATOM 1153 NZ LYS A 74 -11.480 4.669 14.322 1.00 30.32 N ATOM 0 H LYS A 74 -7.346 1.669 11.402 1.00 34.12 H new ATOM 0 HA LYS A 74 -6.140 3.465 13.206 1.00 63.15 H new ATOM 0 HB2 LYS A 74 -8.307 4.570 13.257 1.00 13.14 H new ATOM 0 HB3 LYS A 74 -7.994 4.033 11.618 1.00 13.14 H new ATOM 0 HG2 LYS A 74 -9.499 2.062 11.990 1.00 2.01 H new ATOM 0 HG3 LYS A 74 -9.831 2.634 13.613 1.00 2.01 H new ATOM 0 HD2 LYS A 74 -10.504 4.165 11.054 1.00 14.23 H new ATOM 0 HD3 LYS A 74 -11.645 3.204 11.974 1.00 14.23 H new ATOM 0 HE2 LYS A 74 -10.194 5.694 12.990 1.00 54.15 H new ATOM 0 HE3 LYS A 74 -11.868 5.628 12.476 1.00 54.15 H new ATOM 0 HZ1 LYS A 74 -11.780 5.519 14.841 1.00 30.32 H new ATOM 0 HZ2 LYS A 74 -12.270 3.994 14.277 1.00 30.32 H new ATOM 0 HZ3 LYS A 74 -10.676 4.229 14.814 1.00 30.32 H new ATOM 1167 N LYS A 75 -7.770 1.022 14.684 1.00 22.42 N ATOM 1168 CA LYS A 75 -8.075 0.410 16.005 1.00 60.04 C ATOM 1169 C LYS A 75 -6.781 -0.036 16.725 1.00 13.04 C ATOM 1170 O LYS A 75 -6.710 -0.012 17.958 1.00 34.35 O ATOM 1171 CB LYS A 75 -9.070 -0.784 15.858 1.00 52.15 C ATOM 1172 CG LYS A 75 -8.526 -1.988 15.070 1.00 54.40 C ATOM 1173 CD LYS A 75 -9.496 -3.193 15.019 1.00 60.34 C ATOM 1174 CE LYS A 75 -10.840 -2.889 14.340 1.00 55.54 C ATOM 1175 NZ LYS A 75 -11.746 -4.082 14.350 1.00 44.34 N ATOM 0 H LYS A 75 -7.947 0.408 13.889 1.00 22.42 H new ATOM 0 HA LYS A 75 -8.555 1.172 16.619 1.00 60.04 H new ATOM 0 HB2 LYS A 75 -9.360 -1.121 16.853 1.00 52.15 H new ATOM 0 HB3 LYS A 75 -9.975 -0.426 15.367 1.00 52.15 H new ATOM 0 HG2 LYS A 75 -8.301 -1.672 14.051 1.00 54.40 H new ATOM 0 HG3 LYS A 75 -7.586 -2.309 15.519 1.00 54.40 H new ATOM 0 HD2 LYS A 75 -9.011 -4.013 14.490 1.00 60.34 H new ATOM 0 HD3 LYS A 75 -9.685 -3.537 16.036 1.00 60.34 H new ATOM 0 HE2 LYS A 75 -11.326 -2.058 14.851 1.00 55.54 H new ATOM 0 HE3 LYS A 75 -10.665 -2.573 13.312 1.00 55.54 H new ATOM 0 HZ1 LYS A 75 -12.737 -3.766 14.360 1.00 44.34 H new ATOM 0 HZ2 LYS A 75 -11.574 -4.656 13.500 1.00 44.34 H new ATOM 0 HZ3 LYS A 75 -11.557 -4.654 15.198 1.00 44.34 H new ATOM 1189 N GLU A 76 -5.767 -0.438 15.936 1.00 44.43 N ATOM 1190 CA GLU A 76 -4.429 -0.814 16.453 1.00 34.31 C ATOM 1191 C GLU A 76 -3.513 0.427 16.563 1.00 22.50 C ATOM 1192 O GLU A 76 -2.366 0.318 17.011 1.00 31.43 O ATOM 1193 CB GLU A 76 -3.782 -1.868 15.515 1.00 43.02 C ATOM 1194 CG GLU A 76 -4.663 -3.091 15.188 1.00 11.41 C ATOM 1195 CD GLU A 76 -5.113 -3.904 16.416 1.00 42.30 C ATOM 1196 OE1 GLU A 76 -6.183 -3.610 16.992 1.00 72.24 O ATOM 1197 OE2 GLU A 76 -4.402 -4.855 16.805 1.00 52.12 O ATOM 0 H GLU A 76 -5.848 -0.513 14.922 1.00 44.43 H new ATOM 0 HA GLU A 76 -4.550 -1.240 17.449 1.00 34.31 H new ATOM 0 HB2 GLU A 76 -3.508 -1.378 14.580 1.00 43.02 H new ATOM 0 HB3 GLU A 76 -2.858 -2.219 15.974 1.00 43.02 H new ATOM 0 HG2 GLU A 76 -5.548 -2.751 14.650 1.00 11.41 H new ATOM 0 HG3 GLU A 76 -4.113 -3.749 14.515 1.00 11.41 H new ATOM 1204 N GLY A 77 -4.032 1.595 16.135 1.00 42.13 N ATOM 1205 CA GLY A 77 -3.279 2.852 16.148 1.00 2.12 C ATOM 1206 C GLY A 77 -2.321 3.024 14.970 1.00 25.33 C ATOM 1207 O GLY A 77 -1.610 4.033 14.905 1.00 73.14 O ATOM 0 H GLY A 77 -4.981 1.687 15.773 1.00 42.13 H new ATOM 0 HA2 GLY A 77 -3.983 3.684 16.153 1.00 2.12 H new ATOM 0 HA3 GLY A 77 -2.710 2.911 17.076 1.00 2.12 H new ATOM 1211 N VAL A 78 -2.316 2.053 14.033 1.00 10.25 N ATOM 1212 CA VAL A 78 -1.431 2.061 12.851 1.00 21.23 C ATOM 1213 C VAL A 78 -1.773 3.248 11.924 1.00 54.51 C ATOM 1214 O VAL A 78 -2.938 3.414 11.535 1.00 1.42 O ATOM 1215 CB VAL A 78 -1.548 0.703 12.055 1.00 51.34 C ATOM 1216 CG1 VAL A 78 -0.740 0.724 10.736 1.00 23.40 C ATOM 1217 CG2 VAL A 78 -1.125 -0.489 12.941 1.00 10.34 C ATOM 0 H VAL A 78 -2.928 1.238 14.076 1.00 10.25 H new ATOM 0 HA VAL A 78 -0.404 2.173 13.200 1.00 21.23 H new ATOM 0 HB VAL A 78 -2.596 0.580 11.783 1.00 51.34 H new ATOM 0 HG11 VAL A 78 -0.852 -0.232 10.225 1.00 23.40 H new ATOM 0 HG12 VAL A 78 -1.111 1.524 10.095 1.00 23.40 H new ATOM 0 HG13 VAL A 78 0.313 0.895 10.957 1.00 23.40 H new ATOM 0 HG21 VAL A 78 -1.213 -1.415 12.372 1.00 10.34 H new ATOM 0 HG22 VAL A 78 -0.091 -0.356 13.260 1.00 10.34 H new ATOM 0 HG23 VAL A 78 -1.771 -0.538 13.817 1.00 10.34 H new ATOM 1227 N SER A 79 -0.749 4.057 11.581 1.00 4.00 N ATOM 1228 CA SER A 79 -0.901 5.212 10.684 1.00 31.44 C ATOM 1229 C SER A 79 -0.947 4.735 9.223 1.00 53.32 C ATOM 1230 O SER A 79 -0.323 3.726 8.877 1.00 73.24 O ATOM 1231 CB SER A 79 0.270 6.198 10.893 1.00 2.03 C ATOM 1232 OG SER A 79 0.316 6.648 12.236 1.00 55.12 O ATOM 0 H SER A 79 0.204 3.925 11.920 1.00 4.00 H new ATOM 0 HA SER A 79 -1.834 5.726 10.914 1.00 31.44 H new ATOM 0 HB2 SER A 79 1.211 5.712 10.635 1.00 2.03 H new ATOM 0 HB3 SER A 79 0.158 7.050 10.223 1.00 2.03 H new ATOM 0 HG SER A 79 1.065 7.270 12.347 1.00 55.12 H new ATOM 1238 N TYR A 80 -1.693 5.461 8.377 1.00 72.40 N ATOM 1239 CA TYR A 80 -1.826 5.145 6.944 1.00 54.43 C ATOM 1240 C TYR A 80 -2.278 6.396 6.176 1.00 60.32 C ATOM 1241 O TYR A 80 -3.002 7.232 6.725 1.00 33.14 O ATOM 1242 CB TYR A 80 -2.831 3.971 6.709 1.00 52.12 C ATOM 1243 CG TYR A 80 -4.279 4.242 7.174 1.00 22.43 C ATOM 1244 CD1 TYR A 80 -4.644 4.116 8.517 1.00 32.43 C ATOM 1245 CD2 TYR A 80 -5.277 4.626 6.267 1.00 5.13 C ATOM 1246 CE1 TYR A 80 -5.939 4.356 8.935 1.00 14.43 C ATOM 1247 CE2 TYR A 80 -6.573 4.868 6.687 1.00 33.43 C ATOM 1248 CZ TYR A 80 -6.896 4.733 8.022 1.00 20.43 C ATOM 1249 OH TYR A 80 -8.184 4.985 8.450 1.00 31.33 O ATOM 0 H TYR A 80 -2.222 6.284 8.666 1.00 72.40 H new ATOM 0 HA TYR A 80 -0.852 4.825 6.573 1.00 54.43 H new ATOM 0 HB2 TYR A 80 -2.846 3.734 5.645 1.00 52.12 H new ATOM 0 HB3 TYR A 80 -2.460 3.087 7.227 1.00 52.12 H new ATOM 0 HD1 TYR A 80 -3.899 3.825 9.243 1.00 32.43 H new ATOM 0 HD2 TYR A 80 -5.030 4.735 5.221 1.00 5.13 H new ATOM 0 HE1 TYR A 80 -6.199 4.248 9.978 1.00 14.43 H new ATOM 0 HE2 TYR A 80 -7.329 5.161 5.973 1.00 33.43 H new ATOM 0 HH TYR A 80 -8.739 5.241 7.684 1.00 31.33 H new ATOM 1259 N ASP A 81 -1.845 6.512 4.912 1.00 51.32 N ATOM 1260 CA ASP A 81 -2.318 7.554 3.976 1.00 32.41 C ATOM 1261 C ASP A 81 -2.782 6.881 2.688 1.00 21.31 C ATOM 1262 O ASP A 81 -2.017 6.149 2.050 1.00 61.13 O ATOM 1263 CB ASP A 81 -1.225 8.624 3.681 1.00 43.44 C ATOM 1264 CG ASP A 81 -1.116 9.691 4.786 1.00 32.05 C ATOM 1265 OD1 ASP A 81 -2.083 10.462 4.980 1.00 33.34 O ATOM 1266 OD2 ASP A 81 -0.080 9.768 5.475 1.00 54.03 O ATOM 0 H ASP A 81 -1.153 5.884 4.504 1.00 51.32 H new ATOM 0 HA ASP A 81 -3.149 8.086 4.440 1.00 32.41 H new ATOM 0 HB2 ASP A 81 -0.261 8.129 3.565 1.00 43.44 H new ATOM 0 HB3 ASP A 81 -1.449 9.112 2.732 1.00 43.44 H new ATOM 1271 N VAL A 82 -4.049 7.128 2.333 1.00 51.10 N ATOM 1272 CA VAL A 82 -4.716 6.497 1.199 1.00 53.32 C ATOM 1273 C VAL A 82 -4.453 7.306 -0.090 1.00 2.42 C ATOM 1274 O VAL A 82 -4.725 8.514 -0.158 1.00 22.11 O ATOM 1275 CB VAL A 82 -6.266 6.357 1.471 1.00 42.03 C ATOM 1276 CG1 VAL A 82 -6.995 5.704 0.279 1.00 22.40 C ATOM 1277 CG2 VAL A 82 -6.529 5.567 2.782 1.00 74.44 C ATOM 0 H VAL A 82 -4.645 7.784 2.838 1.00 51.10 H new ATOM 0 HA VAL A 82 -4.308 5.495 1.067 1.00 53.32 H new ATOM 0 HB VAL A 82 -6.670 7.362 1.591 1.00 42.03 H new ATOM 0 HG11 VAL A 82 -8.059 5.624 0.503 1.00 22.40 H new ATOM 0 HG12 VAL A 82 -6.856 6.316 -0.612 1.00 22.40 H new ATOM 0 HG13 VAL A 82 -6.586 4.709 0.103 1.00 22.40 H new ATOM 0 HG21 VAL A 82 -7.603 5.484 2.947 1.00 74.44 H new ATOM 0 HG22 VAL A 82 -6.096 4.570 2.699 1.00 74.44 H new ATOM 0 HG23 VAL A 82 -6.072 6.092 3.621 1.00 74.44 H new ATOM 1287 N LEU A 83 -3.874 6.622 -1.079 1.00 2.44 N ATOM 1288 CA LEU A 83 -3.549 7.159 -2.403 1.00 73.23 C ATOM 1289 C LEU A 83 -4.443 6.454 -3.430 1.00 60.24 C ATOM 1290 O LEU A 83 -4.302 5.253 -3.642 1.00 42.44 O ATOM 1291 CB LEU A 83 -2.041 6.903 -2.708 1.00 33.55 C ATOM 1292 CG LEU A 83 -1.544 7.260 -4.150 1.00 35.12 C ATOM 1293 CD1 LEU A 83 -1.663 8.768 -4.455 1.00 62.01 C ATOM 1294 CD2 LEU A 83 -0.106 6.747 -4.389 1.00 30.12 C ATOM 0 H LEU A 83 -3.609 5.642 -0.976 1.00 2.44 H new ATOM 0 HA LEU A 83 -3.725 8.234 -2.445 1.00 73.23 H new ATOM 0 HB2 LEU A 83 -1.448 7.473 -1.993 1.00 33.55 H new ATOM 0 HB3 LEU A 83 -1.832 5.849 -2.527 1.00 33.55 H new ATOM 0 HG LEU A 83 -2.204 6.746 -4.849 1.00 35.12 H new ATOM 0 HD11 LEU A 83 -1.306 8.964 -5.466 1.00 62.01 H new ATOM 0 HD12 LEU A 83 -2.706 9.075 -4.372 1.00 62.01 H new ATOM 0 HD13 LEU A 83 -1.061 9.332 -3.742 1.00 62.01 H new ATOM 0 HD21 LEU A 83 0.211 7.010 -5.398 1.00 30.12 H new ATOM 0 HD22 LEU A 83 0.569 7.205 -3.666 1.00 30.12 H new ATOM 0 HD23 LEU A 83 -0.082 5.664 -4.272 1.00 30.12 H new ATOM 1306 N LYS A 84 -5.397 7.184 -4.032 1.00 53.20 N ATOM 1307 CA LYS A 84 -6.293 6.616 -5.061 1.00 4.21 C ATOM 1308 C LYS A 84 -6.121 7.400 -6.366 1.00 54.43 C ATOM 1309 O LYS A 84 -6.608 8.531 -6.500 1.00 44.44 O ATOM 1310 CB LYS A 84 -7.781 6.599 -4.589 1.00 4.34 C ATOM 1311 CG LYS A 84 -8.032 5.753 -3.313 1.00 4.01 C ATOM 1312 CD LYS A 84 -9.524 5.412 -3.026 1.00 41.13 C ATOM 1313 CE LYS A 84 -10.386 6.605 -2.552 1.00 63.43 C ATOM 1314 NZ LYS A 84 -10.615 7.635 -3.607 1.00 11.05 N ATOM 0 H LYS A 84 -5.570 8.168 -3.826 1.00 53.20 H new ATOM 0 HA LYS A 84 -6.017 5.576 -5.234 1.00 4.21 H new ATOM 0 HB2 LYS A 84 -8.103 7.623 -4.402 1.00 4.34 H new ATOM 0 HB3 LYS A 84 -8.403 6.212 -5.396 1.00 4.34 H new ATOM 0 HG2 LYS A 84 -7.473 4.821 -3.399 1.00 4.01 H new ATOM 0 HG3 LYS A 84 -7.627 6.290 -2.455 1.00 4.01 H new ATOM 0 HD2 LYS A 84 -9.968 4.999 -3.932 1.00 41.13 H new ATOM 0 HD3 LYS A 84 -9.563 4.630 -2.267 1.00 41.13 H new ATOM 0 HE2 LYS A 84 -11.350 6.231 -2.206 1.00 63.43 H new ATOM 0 HE3 LYS A 84 -9.901 7.075 -1.697 1.00 63.43 H new ATOM 0 HZ1 LYS A 84 -11.568 8.037 -3.498 1.00 11.05 H new ATOM 0 HZ2 LYS A 84 -9.907 8.391 -3.513 1.00 11.05 H new ATOM 0 HZ3 LYS A 84 -10.530 7.195 -4.546 1.00 11.05 H new ATOM 1328 N SER A 85 -5.384 6.789 -7.306 1.00 53.12 N ATOM 1329 CA SER A 85 -5.076 7.376 -8.620 1.00 24.10 C ATOM 1330 C SER A 85 -4.727 6.276 -9.637 1.00 14.43 C ATOM 1331 O SER A 85 -4.205 5.209 -9.277 1.00 41.22 O ATOM 1332 CB SER A 85 -3.948 8.434 -8.499 1.00 54.25 C ATOM 1333 OG SER A 85 -2.858 7.949 -7.740 1.00 23.12 O ATOM 0 H SER A 85 -4.980 5.862 -7.174 1.00 53.12 H new ATOM 0 HA SER A 85 -5.963 7.891 -8.989 1.00 24.10 H new ATOM 0 HB2 SER A 85 -3.603 8.714 -9.494 1.00 54.25 H new ATOM 0 HB3 SER A 85 -4.343 9.337 -8.033 1.00 54.25 H new ATOM 0 HG SER A 85 -2.165 8.639 -7.685 1.00 23.12 H new ATOM 1339 N THR A 86 -5.054 6.542 -10.908 1.00 11.10 N ATOM 1340 CA THR A 86 -4.826 5.625 -12.028 1.00 52.24 C ATOM 1341 C THR A 86 -3.850 6.282 -13.017 1.00 31.35 C ATOM 1342 O THR A 86 -4.267 6.949 -13.976 1.00 42.15 O ATOM 1343 CB THR A 86 -6.190 5.263 -12.711 1.00 2.14 C ATOM 1344 OG1 THR A 86 -6.918 6.466 -13.016 1.00 62.25 O ATOM 1345 CG2 THR A 86 -7.062 4.368 -11.818 1.00 14.41 C ATOM 0 H THR A 86 -5.493 7.418 -11.190 1.00 11.10 H new ATOM 0 HA THR A 86 -4.384 4.694 -11.672 1.00 52.24 H new ATOM 0 HB THR A 86 -5.959 4.714 -13.624 1.00 2.14 H new ATOM 0 HG1 THR A 86 -6.330 7.094 -13.485 1.00 62.25 H new ATOM 0 HG21 THR A 86 -7.997 4.142 -12.331 1.00 14.41 H new ATOM 0 HG22 THR A 86 -6.532 3.440 -11.605 1.00 14.41 H new ATOM 0 HG23 THR A 86 -7.277 4.886 -10.883 1.00 14.41 H new ATOM 1353 N ASP A 87 -2.547 6.108 -12.749 1.00 4.24 N ATOM 1354 CA ASP A 87 -1.466 6.783 -13.491 1.00 44.55 C ATOM 1355 C ASP A 87 -0.118 6.141 -13.099 1.00 40.21 C ATOM 1356 O ASP A 87 0.233 6.149 -11.908 1.00 75.14 O ATOM 1357 CB ASP A 87 -1.451 8.306 -13.182 1.00 11.45 C ATOM 1358 CG ASP A 87 -0.472 9.102 -14.068 1.00 55.45 C ATOM 1359 OD1 ASP A 87 0.739 9.130 -13.768 1.00 70.35 O ATOM 1360 OD2 ASP A 87 -0.918 9.724 -15.058 1.00 71.43 O ATOM 0 H ASP A 87 -2.210 5.493 -12.009 1.00 4.24 H new ATOM 0 HA ASP A 87 -1.634 6.664 -14.561 1.00 44.55 H new ATOM 0 HB2 ASP A 87 -2.456 8.706 -13.315 1.00 11.45 H new ATOM 0 HB3 ASP A 87 -1.185 8.454 -12.135 1.00 11.45 H new ATOM 1365 N PRO A 88 0.659 5.582 -14.076 1.00 32.20 N ATOM 1366 CA PRO A 88 1.890 4.806 -13.775 1.00 41.41 C ATOM 1367 C PRO A 88 3.000 5.625 -13.073 1.00 64.21 C ATOM 1368 O PRO A 88 3.615 5.130 -12.123 1.00 13.23 O ATOM 1369 CB PRO A 88 2.343 4.288 -15.164 1.00 62.22 C ATOM 1370 CG PRO A 88 1.720 5.229 -16.151 1.00 44.20 C ATOM 1371 CD PRO A 88 0.397 5.637 -15.547 1.00 62.10 C ATOM 0 HA PRO A 88 1.689 4.009 -13.059 1.00 41.41 H new ATOM 0 HB2 PRO A 88 3.430 4.288 -15.250 1.00 62.22 H new ATOM 0 HB3 PRO A 88 2.010 3.264 -15.331 1.00 62.22 H new ATOM 0 HG2 PRO A 88 2.357 6.097 -16.321 1.00 44.20 H new ATOM 0 HG3 PRO A 88 1.577 4.745 -17.117 1.00 44.20 H new ATOM 0 HD2 PRO A 88 0.100 6.636 -15.866 1.00 62.10 H new ATOM 0 HD3 PRO A 88 -0.405 4.958 -15.838 1.00 62.10 H new ATOM 1379 N GLU A 89 3.210 6.891 -13.493 1.00 50.21 N ATOM 1380 CA GLU A 89 4.350 7.695 -12.987 1.00 32.23 C ATOM 1381 C GLU A 89 3.979 8.413 -11.676 1.00 25.24 C ATOM 1382 O GLU A 89 4.858 8.724 -10.867 1.00 22.24 O ATOM 1383 CB GLU A 89 4.873 8.690 -14.063 1.00 64.34 C ATOM 1384 CG GLU A 89 3.881 9.762 -14.550 1.00 25.55 C ATOM 1385 CD GLU A 89 4.460 10.640 -15.676 1.00 32.41 C ATOM 1386 OE1 GLU A 89 4.513 10.176 -16.836 1.00 12.31 O ATOM 1387 OE2 GLU A 89 4.876 11.788 -15.405 1.00 24.13 O ATOM 0 H GLU A 89 2.618 7.374 -14.169 1.00 50.21 H new ATOM 0 HA GLU A 89 5.168 7.009 -12.767 1.00 32.23 H new ATOM 0 HB2 GLU A 89 5.751 9.196 -13.661 1.00 64.34 H new ATOM 0 HB3 GLU A 89 5.204 8.114 -14.927 1.00 64.34 H new ATOM 0 HG2 GLU A 89 2.972 9.276 -14.905 1.00 25.55 H new ATOM 0 HG3 GLU A 89 3.596 10.396 -13.710 1.00 25.55 H new ATOM 1394 N GLU A 90 2.665 8.643 -11.463 1.00 31.23 N ATOM 1395 CA GLU A 90 2.133 9.217 -10.212 1.00 52.13 C ATOM 1396 C GLU A 90 2.307 8.223 -9.059 1.00 33.14 C ATOM 1397 O GLU A 90 2.910 8.550 -8.031 1.00 51.12 O ATOM 1398 CB GLU A 90 0.634 9.579 -10.391 1.00 31.12 C ATOM 1399 CG GLU A 90 -0.152 9.911 -9.097 1.00 11.52 C ATOM 1400 CD GLU A 90 0.303 11.154 -8.309 1.00 71.22 C ATOM 1401 OE1 GLU A 90 1.009 12.029 -8.850 1.00 22.40 O ATOM 1402 OE2 GLU A 90 -0.095 11.277 -7.133 1.00 1.13 O ATOM 0 H GLU A 90 1.945 8.435 -12.155 1.00 31.23 H new ATOM 0 HA GLU A 90 2.688 10.125 -9.974 1.00 52.13 H new ATOM 0 HB2 GLU A 90 0.567 10.436 -11.061 1.00 31.12 H new ATOM 0 HB3 GLU A 90 0.138 8.746 -10.888 1.00 31.12 H new ATOM 0 HG2 GLU A 90 -1.202 10.041 -9.361 1.00 11.52 H new ATOM 0 HG3 GLU A 90 -0.095 9.048 -8.434 1.00 11.52 H new ATOM 1409 N LEU A 91 1.807 6.992 -9.264 1.00 52.24 N ATOM 1410 CA LEU A 91 1.850 5.951 -8.227 1.00 1.13 C ATOM 1411 C LEU A 91 3.318 5.618 -7.862 1.00 72.53 C ATOM 1412 O LEU A 91 3.643 5.477 -6.687 1.00 62.13 O ATOM 1413 CB LEU A 91 1.077 4.681 -8.678 1.00 33.54 C ATOM 1414 CG LEU A 91 -0.467 4.828 -8.897 1.00 73.43 C ATOM 1415 CD1 LEU A 91 -1.091 3.488 -9.338 1.00 5.04 C ATOM 1416 CD2 LEU A 91 -1.170 5.358 -7.636 1.00 42.15 C ATOM 0 H LEU A 91 1.370 6.696 -10.137 1.00 52.24 H new ATOM 0 HA LEU A 91 1.355 6.332 -7.334 1.00 1.13 H new ATOM 0 HB2 LEU A 91 1.519 4.329 -9.610 1.00 33.54 H new ATOM 0 HB3 LEU A 91 1.241 3.902 -7.933 1.00 33.54 H new ATOM 0 HG LEU A 91 -0.614 5.558 -9.693 1.00 73.43 H new ATOM 0 HD11 LEU A 91 -2.164 3.617 -9.483 1.00 5.04 H new ATOM 0 HD12 LEU A 91 -0.634 3.164 -10.273 1.00 5.04 H new ATOM 0 HD13 LEU A 91 -0.917 2.735 -8.569 1.00 5.04 H new ATOM 0 HD21 LEU A 91 -2.240 5.447 -7.826 1.00 42.15 H new ATOM 0 HD22 LEU A 91 -1.004 4.667 -6.809 1.00 42.15 H new ATOM 0 HD23 LEU A 91 -0.765 6.336 -7.378 1.00 42.15 H new ATOM 1428 N THR A 92 4.207 5.574 -8.891 1.00 52.23 N ATOM 1429 CA THR A 92 5.646 5.279 -8.713 1.00 63.44 C ATOM 1430 C THR A 92 6.343 6.342 -7.849 1.00 74.30 C ATOM 1431 O THR A 92 7.030 5.995 -6.877 1.00 3.04 O ATOM 1432 CB THR A 92 6.376 5.142 -10.095 1.00 1.01 C ATOM 1433 OG1 THR A 92 5.786 4.077 -10.858 1.00 23.13 O ATOM 1434 CG2 THR A 92 7.884 4.859 -9.955 1.00 14.05 C ATOM 0 H THR A 92 3.942 5.742 -9.862 1.00 52.23 H new ATOM 0 HA THR A 92 5.710 4.324 -8.191 1.00 63.44 H new ATOM 0 HB THR A 92 6.258 6.101 -10.600 1.00 1.01 H new ATOM 0 HG1 THR A 92 5.024 4.423 -11.368 1.00 23.13 H new ATOM 0 HG21 THR A 92 8.332 4.775 -10.945 1.00 14.05 H new ATOM 0 HG22 THR A 92 8.358 5.675 -9.410 1.00 14.05 H new ATOM 0 HG23 THR A 92 8.030 3.926 -9.410 1.00 14.05 H new ATOM 1442 N GLN A 93 6.130 7.633 -8.187 1.00 71.43 N ATOM 1443 CA GLN A 93 6.822 8.738 -7.514 1.00 32.22 C ATOM 1444 C GLN A 93 6.401 8.833 -6.045 1.00 40.25 C ATOM 1445 O GLN A 93 7.245 9.114 -5.200 1.00 25.14 O ATOM 1446 CB GLN A 93 6.624 10.094 -8.245 1.00 64.43 C ATOM 1447 CG GLN A 93 5.199 10.670 -8.226 1.00 44.25 C ATOM 1448 CD GLN A 93 5.053 11.945 -9.053 1.00 72.31 C ATOM 1449 OE1 GLN A 93 5.235 13.058 -8.549 1.00 61.12 O ATOM 1450 NE2 GLN A 93 4.755 11.797 -10.337 1.00 15.31 N ATOM 0 H GLN A 93 5.485 7.928 -8.920 1.00 71.43 H new ATOM 0 HA GLN A 93 7.889 8.516 -7.551 1.00 32.22 H new ATOM 0 HB2 GLN A 93 7.296 10.826 -7.798 1.00 64.43 H new ATOM 0 HB3 GLN A 93 6.931 9.972 -9.284 1.00 64.43 H new ATOM 0 HG2 GLN A 93 4.506 9.919 -8.604 1.00 44.25 H new ATOM 0 HG3 GLN A 93 4.912 10.879 -7.195 1.00 44.25 H new ATOM 0 HE21 GLN A 93 4.611 10.864 -10.723 1.00 15.31 H new ATOM 0 HE22 GLN A 93 4.670 12.616 -10.939 1.00 15.31 H new ATOM 1459 N ARG A 94 5.111 8.537 -5.748 1.00 42.51 N ATOM 1460 CA ARG A 94 4.590 8.607 -4.367 1.00 3.33 C ATOM 1461 C ARG A 94 5.165 7.475 -3.484 1.00 31.50 C ATOM 1462 O ARG A 94 5.499 7.709 -2.321 1.00 22.40 O ATOM 1463 CB ARG A 94 3.043 8.610 -4.351 1.00 4.41 C ATOM 1464 CG ARG A 94 2.399 9.758 -5.171 1.00 24.30 C ATOM 1465 CD ARG A 94 2.864 11.169 -4.749 1.00 0.43 C ATOM 1466 NE ARG A 94 2.394 12.205 -5.685 1.00 32.44 N ATOM 1467 CZ ARG A 94 3.035 13.346 -5.979 1.00 62.03 C ATOM 1468 NH1 ARG A 94 4.205 13.661 -5.407 1.00 63.14 N ATOM 1469 NH2 ARG A 94 2.505 14.169 -6.866 1.00 75.12 N ATOM 0 H ARG A 94 4.421 8.250 -6.442 1.00 42.51 H new ATOM 0 HA ARG A 94 4.925 9.551 -3.938 1.00 3.33 H new ATOM 0 HB2 ARG A 94 2.685 7.657 -4.740 1.00 4.41 H new ATOM 0 HB3 ARG A 94 2.702 8.681 -3.318 1.00 4.41 H new ATOM 0 HG2 ARG A 94 2.630 9.611 -6.226 1.00 24.30 H new ATOM 0 HG3 ARG A 94 1.315 9.699 -5.071 1.00 24.30 H new ATOM 0 HD2 ARG A 94 2.493 11.389 -3.748 1.00 0.43 H new ATOM 0 HD3 ARG A 94 3.953 11.192 -4.698 1.00 0.43 H new ATOM 0 HE ARG A 94 1.502 12.040 -6.151 1.00 32.44 H new ATOM 0 HH11 ARG A 94 4.629 13.027 -4.730 1.00 63.14 H new ATOM 0 HH12 ARG A 94 4.672 14.535 -5.648 1.00 63.14 H new ATOM 0 HH21 ARG A 94 1.621 13.933 -7.316 1.00 75.12 H new ATOM 0 HH22 ARG A 94 2.980 15.041 -7.101 1.00 75.12 H new ATOM 1483 N VAL A 95 5.293 6.260 -4.051 1.00 61.14 N ATOM 1484 CA VAL A 95 5.880 5.091 -3.349 1.00 34.40 C ATOM 1485 C VAL A 95 7.345 5.366 -2.964 1.00 14.31 C ATOM 1486 O VAL A 95 7.734 5.288 -1.784 1.00 23.31 O ATOM 1487 CB VAL A 95 5.787 3.789 -4.247 1.00 40.55 C ATOM 1488 CG1 VAL A 95 6.595 2.603 -3.664 1.00 23.55 C ATOM 1489 CG2 VAL A 95 4.316 3.381 -4.478 1.00 33.41 C ATOM 0 H VAL A 95 4.995 6.056 -5.005 1.00 61.14 H new ATOM 0 HA VAL A 95 5.306 4.924 -2.438 1.00 34.40 H new ATOM 0 HB VAL A 95 6.238 4.041 -5.207 1.00 40.55 H new ATOM 0 HG11 VAL A 95 6.496 1.738 -4.320 1.00 23.55 H new ATOM 0 HG12 VAL A 95 7.646 2.881 -3.587 1.00 23.55 H new ATOM 0 HG13 VAL A 95 6.213 2.354 -2.674 1.00 23.55 H new ATOM 0 HG21 VAL A 95 4.280 2.485 -5.097 1.00 33.41 H new ATOM 0 HG22 VAL A 95 3.840 3.179 -3.519 1.00 33.41 H new ATOM 0 HG23 VAL A 95 3.788 4.191 -4.981 1.00 33.41 H new ATOM 1499 N ARG A 96 8.129 5.747 -3.977 1.00 5.44 N ATOM 1500 CA ARG A 96 9.576 5.885 -3.846 1.00 25.14 C ATOM 1501 C ARG A 96 9.970 7.123 -3.009 1.00 14.12 C ATOM 1502 O ARG A 96 10.975 7.092 -2.289 1.00 71.31 O ATOM 1503 CB ARG A 96 10.233 5.887 -5.254 1.00 73.21 C ATOM 1504 CG ARG A 96 9.967 7.134 -6.122 1.00 23.34 C ATOM 1505 CD ARG A 96 10.523 6.991 -7.554 1.00 4.55 C ATOM 1506 NE ARG A 96 10.282 8.191 -8.374 1.00 44.00 N ATOM 1507 CZ ARG A 96 10.790 8.413 -9.599 1.00 53.20 C ATOM 1508 NH1 ARG A 96 11.578 7.519 -10.203 1.00 5.52 N ATOM 1509 NH2 ARG A 96 10.514 9.551 -10.214 1.00 2.13 N ATOM 0 H ARG A 96 7.776 5.967 -4.908 1.00 5.44 H new ATOM 0 HA ARG A 96 9.957 5.026 -3.294 1.00 25.14 H new ATOM 0 HB2 ARG A 96 11.310 5.778 -5.131 1.00 73.21 H new ATOM 0 HB3 ARG A 96 9.884 5.009 -5.797 1.00 73.21 H new ATOM 0 HG2 ARG A 96 8.893 7.316 -6.170 1.00 23.34 H new ATOM 0 HG3 ARG A 96 10.417 8.005 -5.647 1.00 23.34 H new ATOM 0 HD2 ARG A 96 11.594 6.796 -7.507 1.00 4.55 H new ATOM 0 HD3 ARG A 96 10.063 6.128 -8.035 1.00 4.55 H new ATOM 0 HE ARG A 96 9.680 8.914 -7.980 1.00 44.00 H new ATOM 0 HH11 ARG A 96 11.808 6.643 -9.734 1.00 5.52 H new ATOM 0 HH12 ARG A 96 11.950 7.713 -11.133 1.00 5.52 H new ATOM 0 HH21 ARG A 96 9.923 10.246 -9.759 1.00 2.13 H new ATOM 0 HH22 ARG A 96 10.892 9.733 -11.144 1.00 2.13 H new ATOM 1523 N GLU A 97 9.183 8.221 -3.106 1.00 61.22 N ATOM 1524 CA GLU A 97 9.405 9.408 -2.259 1.00 4.34 C ATOM 1525 C GLU A 97 9.097 9.075 -0.787 1.00 15.53 C ATOM 1526 O GLU A 97 9.874 9.433 0.086 1.00 1.22 O ATOM 1527 CB GLU A 97 8.606 10.655 -2.747 1.00 23.45 C ATOM 1528 CG GLU A 97 7.098 10.671 -2.434 1.00 5.24 C ATOM 1529 CD GLU A 97 6.361 11.856 -3.079 1.00 24.30 C ATOM 1530 OE1 GLU A 97 6.088 11.794 -4.289 1.00 42.22 O ATOM 1531 OE2 GLU A 97 6.055 12.846 -2.380 1.00 0.20 O ATOM 0 H GLU A 97 8.400 8.306 -3.754 1.00 61.22 H new ATOM 0 HA GLU A 97 10.458 9.678 -2.343 1.00 4.34 H new ATOM 0 HB2 GLU A 97 9.056 11.543 -2.304 1.00 23.45 H new ATOM 0 HB3 GLU A 97 8.731 10.739 -3.826 1.00 23.45 H new ATOM 0 HG2 GLU A 97 6.651 9.740 -2.782 1.00 5.24 H new ATOM 0 HG3 GLU A 97 6.958 10.708 -1.354 1.00 5.24 H new ATOM 1538 N PHE A 98 7.990 8.332 -0.540 1.00 62.45 N ATOM 1539 CA PHE A 98 7.554 7.932 0.820 1.00 22.44 C ATOM 1540 C PHE A 98 8.645 7.135 1.558 1.00 60.35 C ATOM 1541 O PHE A 98 8.934 7.401 2.725 1.00 4.44 O ATOM 1542 CB PHE A 98 6.253 7.093 0.726 1.00 62.34 C ATOM 1543 CG PHE A 98 5.659 6.668 2.069 1.00 11.45 C ATOM 1544 CD1 PHE A 98 4.938 7.578 2.848 1.00 34.05 C ATOM 1545 CD2 PHE A 98 5.820 5.367 2.556 1.00 10.33 C ATOM 1546 CE1 PHE A 98 4.405 7.199 4.064 1.00 10.42 C ATOM 1547 CE2 PHE A 98 5.284 4.997 3.771 1.00 45.20 C ATOM 1548 CZ PHE A 98 4.579 5.910 4.524 1.00 52.21 C ATOM 0 H PHE A 98 7.374 7.993 -1.279 1.00 62.45 H new ATOM 0 HA PHE A 98 7.366 8.840 1.393 1.00 22.44 H new ATOM 0 HB2 PHE A 98 5.505 7.670 0.181 1.00 62.34 H new ATOM 0 HB3 PHE A 98 6.457 6.199 0.137 1.00 62.34 H new ATOM 0 HD1 PHE A 98 4.796 8.589 2.495 1.00 34.05 H new ATOM 0 HD2 PHE A 98 6.371 4.644 1.973 1.00 10.33 H new ATOM 0 HE1 PHE A 98 3.851 7.913 4.656 1.00 10.42 H new ATOM 0 HE2 PHE A 98 5.417 3.988 4.134 1.00 45.20 H new ATOM 0 HZ PHE A 98 4.162 5.616 5.476 1.00 52.21 H new ATOM 1558 N LEU A 99 9.253 6.176 0.853 1.00 34.14 N ATOM 1559 CA LEU A 99 10.258 5.273 1.445 1.00 51.03 C ATOM 1560 C LEU A 99 11.604 5.984 1.718 1.00 41.12 C ATOM 1561 O LEU A 99 12.382 5.531 2.567 1.00 13.32 O ATOM 1562 CB LEU A 99 10.441 4.033 0.541 1.00 71.03 C ATOM 1563 CG LEU A 99 9.200 3.088 0.442 1.00 53.04 C ATOM 1564 CD1 LEU A 99 9.426 1.967 -0.593 1.00 70.43 C ATOM 1565 CD2 LEU A 99 8.839 2.506 1.829 1.00 41.50 C ATOM 0 H LEU A 99 9.068 6.001 -0.135 1.00 34.14 H new ATOM 0 HA LEU A 99 9.889 4.949 2.418 1.00 51.03 H new ATOM 0 HB2 LEU A 99 10.700 4.371 -0.462 1.00 71.03 H new ATOM 0 HB3 LEU A 99 11.288 3.456 0.912 1.00 71.03 H new ATOM 0 HG LEU A 99 8.355 3.684 0.097 1.00 53.04 H new ATOM 0 HD11 LEU A 99 8.544 1.328 -0.636 1.00 70.43 H new ATOM 0 HD12 LEU A 99 9.603 2.408 -1.574 1.00 70.43 H new ATOM 0 HD13 LEU A 99 10.291 1.371 -0.301 1.00 70.43 H new ATOM 0 HD21 LEU A 99 7.972 1.852 1.735 1.00 41.50 H new ATOM 0 HD22 LEU A 99 9.684 1.936 2.215 1.00 41.50 H new ATOM 0 HD23 LEU A 99 8.606 3.320 2.516 1.00 41.50 H new ATOM 1577 N LYS A 100 11.864 7.103 1.009 1.00 14.22 N ATOM 1578 CA LYS A 100 13.060 7.944 1.255 1.00 64.32 C ATOM 1579 C LYS A 100 12.772 8.986 2.354 1.00 55.10 C ATOM 1580 O LYS A 100 13.669 9.356 3.120 1.00 34.32 O ATOM 1581 CB LYS A 100 13.536 8.676 -0.030 1.00 1.42 C ATOM 1582 CG LYS A 100 14.005 7.755 -1.174 1.00 1.12 C ATOM 1583 CD LYS A 100 14.782 8.506 -2.285 1.00 62.03 C ATOM 1584 CE LYS A 100 13.991 9.673 -2.908 1.00 12.10 C ATOM 1585 NZ LYS A 100 12.683 9.248 -3.476 1.00 42.35 N ATOM 0 H LYS A 100 11.262 7.447 0.261 1.00 14.22 H new ATOM 0 HA LYS A 100 13.855 7.273 1.579 1.00 64.32 H new ATOM 0 HB2 LYS A 100 12.720 9.299 -0.397 1.00 1.42 H new ATOM 0 HB3 LYS A 100 14.354 9.346 0.235 1.00 1.42 H new ATOM 0 HG2 LYS A 100 14.640 6.971 -0.763 1.00 1.12 H new ATOM 0 HG3 LYS A 100 13.137 7.264 -1.615 1.00 1.12 H new ATOM 0 HD2 LYS A 100 15.714 8.890 -1.869 1.00 62.03 H new ATOM 0 HD3 LYS A 100 15.051 7.800 -3.070 1.00 62.03 H new ATOM 0 HE2 LYS A 100 13.821 10.436 -2.149 1.00 12.10 H new ATOM 0 HE3 LYS A 100 14.590 10.133 -3.694 1.00 12.10 H new ATOM 0 HZ1 LYS A 100 12.091 10.085 -3.648 1.00 42.35 H new ATOM 0 HZ2 LYS A 100 12.841 8.746 -4.373 1.00 42.35 H new ATOM 0 HZ3 LYS A 100 12.202 8.615 -2.805 1.00 42.35 H new ATOM 1599 N THR A 101 11.508 9.440 2.426 1.00 33.22 N ATOM 1600 CA THR A 101 11.090 10.551 3.295 1.00 51.43 C ATOM 1601 C THR A 101 10.793 10.030 4.712 1.00 1.24 C ATOM 1602 O THR A 101 11.512 10.346 5.659 1.00 61.31 O ATOM 1603 CB THR A 101 9.838 11.279 2.680 1.00 2.20 C ATOM 1604 OG1 THR A 101 10.187 11.852 1.408 1.00 43.32 O ATOM 1605 CG2 THR A 101 9.258 12.380 3.586 1.00 52.40 C ATOM 0 H THR A 101 10.744 9.043 1.879 1.00 33.22 H new ATOM 0 HA THR A 101 11.900 11.277 3.365 1.00 51.43 H new ATOM 0 HB THR A 101 9.065 10.518 2.569 1.00 2.20 H new ATOM 0 HG1 THR A 101 10.138 11.162 0.714 1.00 43.32 H new ATOM 0 HG21 THR A 101 8.398 12.838 3.097 1.00 52.40 H new ATOM 0 HG22 THR A 101 8.946 11.944 4.535 1.00 52.40 H new ATOM 0 HG23 THR A 101 10.018 13.139 3.768 1.00 52.40 H new ATOM 1613 N ALA A 102 9.781 9.154 4.825 1.00 14.40 N ATOM 1614 CA ALA A 102 9.289 8.647 6.120 1.00 21.42 C ATOM 1615 C ALA A 102 10.305 7.738 6.870 1.00 12.44 C ATOM 1616 O ALA A 102 9.983 7.204 7.938 1.00 3.41 O ATOM 1617 CB ALA A 102 7.947 7.928 5.911 1.00 0.35 C ATOM 0 H ALA A 102 9.279 8.776 4.021 1.00 14.40 H new ATOM 0 HA ALA A 102 9.151 9.512 6.769 1.00 21.42 H new ATOM 0 HB1 ALA A 102 7.582 7.553 6.867 1.00 0.35 H new ATOM 0 HB2 ALA A 102 7.221 8.626 5.495 1.00 0.35 H new ATOM 0 HB3 ALA A 102 8.084 7.094 5.223 1.00 0.35 H new