USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 843 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 25 LYS NZ :NH3+ -126:sc= -0.188 (180deg=-1.49) USER MOD Set 1.2: A 70 SER OG : rot 90:sc= 0.411 USER MOD Set 2.1: A 23 SER OG : rot 180:sc= 0.484 USER MOD Set 2.2: A 74 THR OG1 : rot -67:sc= 0.524 USER MOD Set 3.1: A 15 THR OG1 : rot 33:sc= 0 USER MOD Set 3.2: A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0682 (180deg=-0.422) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.104 (180deg=-0.0108) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 5 HIS : no HD1:sc= -0.0168 X(o=-0.017,f=-0.012) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 9 SER OG : rot -128:sc= 0.0846 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 180:sc= -0.955 (180deg=-0.955) USER MOD Single : A 14 GLN : amide:sc=-0.00706 X(o=-0.0071,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.323 K(o=-0.32,f=-0.93) USER MOD Single : A 18 THR OG1 : rot -4:sc= -0.105 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.492 X(o=-0.49,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 174:sc= -0.569 (180deg=-0.663) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 63:sc= 0.792 USER MOD Single : A 54 GLN :FLIP amide:sc= -0.166 F(o=-2.4,f=-0.17) USER MOD Single : A 62 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0326) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0188 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 179:sc= 0.798 (180deg=0.798) USER MOD Single : A 77 ASN :FLIP amide:sc= -1.59 F(o=-3.8!,f=-1.6) USER MOD Single : A 83 ASN : amide:sc= 0.311 X(o=0.31,f=0) USER MOD Single : A 90 TYR OH : rot -126:sc= -0.557 USER MOD Single : A 92 THR OG1 : rot 76:sc= -0.356 USER MOD Single : A 94 MET CE :methyl -171:sc= -0.13 (180deg=-0.245) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.014 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.756 -7.787 35.737 1.00 63.20 N ATOM 2 CA MET A 1 -13.616 -8.176 34.589 1.00 71.41 C ATOM 3 C MET A 1 -13.870 -6.972 33.667 1.00 24.44 C ATOM 4 O MET A 1 -13.437 -5.849 33.954 1.00 32.20 O ATOM 5 CB MET A 1 -14.968 -8.757 35.094 1.00 31.44 C ATOM 6 CG MET A 1 -14.864 -10.103 35.822 1.00 53.32 C ATOM 7 SD MET A 1 -16.465 -10.703 36.421 1.00 33.42 S ATOM 8 CE MET A 1 -16.909 -9.448 37.628 1.00 61.11 C ATOM 0 H1 MET A 1 -11.900 -8.377 35.745 1.00 63.20 H new ATOM 0 H2 MET A 1 -12.486 -6.787 35.645 1.00 63.20 H new ATOM 0 H3 MET A 1 -13.280 -7.924 36.625 1.00 63.20 H new ATOM 0 HA MET A 1 -13.094 -8.945 34.019 1.00 71.41 H new ATOM 0 HB2 MET A 1 -15.429 -8.033 35.765 1.00 31.44 H new ATOM 0 HB3 MET A 1 -15.637 -8.873 34.242 1.00 31.44 H new ATOM 0 HG2 MET A 1 -14.433 -10.843 35.148 1.00 53.32 H new ATOM 0 HG3 MET A 1 -14.180 -10.003 36.665 1.00 53.32 H new ATOM 0 HE1 MET A 1 -17.696 -9.831 38.278 1.00 61.11 H new ATOM 0 HE2 MET A 1 -16.035 -9.194 38.227 1.00 61.11 H new ATOM 0 HE3 MET A 1 -17.267 -8.557 37.112 1.00 61.11 H new ATOM 20 N GLY A 2 -14.576 -7.233 32.551 1.00 2.30 N ATOM 21 CA GLY A 2 -15.003 -6.196 31.614 1.00 3.05 C ATOM 22 C GLY A 2 -14.099 -6.100 30.395 1.00 44.04 C ATOM 23 O GLY A 2 -14.405 -6.659 29.334 1.00 75.01 O ATOM 0 H GLY A 2 -14.863 -8.173 32.280 1.00 2.30 H new ATOM 0 HA2 GLY A 2 -16.023 -6.402 31.290 1.00 3.05 H new ATOM 0 HA3 GLY A 2 -15.020 -5.234 32.126 1.00 3.05 H new ATOM 27 N HIS A 3 -12.956 -5.415 30.553 1.00 13.42 N ATOM 28 CA HIS A 3 -12.083 -5.039 29.415 1.00 20.11 C ATOM 29 C HIS A 3 -10.773 -5.844 29.392 1.00 65.13 C ATOM 30 O HIS A 3 -9.928 -5.613 28.522 1.00 72.30 O ATOM 31 CB HIS A 3 -11.780 -3.518 29.474 1.00 12.35 C ATOM 32 CG HIS A 3 -13.015 -2.660 29.606 1.00 31.20 C ATOM 33 ND1 HIS A 3 -13.464 -2.171 30.819 1.00 10.42 N ATOM 34 CD2 HIS A 3 -13.904 -2.223 28.680 1.00 11.25 C ATOM 35 CE1 HIS A 3 -14.567 -1.472 30.631 1.00 13.43 C ATOM 36 NE2 HIS A 3 -14.856 -1.490 29.344 1.00 61.41 N ATOM 0 H HIS A 3 -12.608 -5.106 31.461 1.00 13.42 H new ATOM 0 HA HIS A 3 -12.617 -5.275 28.494 1.00 20.11 H new ATOM 0 HB2 HIS A 3 -11.119 -3.320 30.318 1.00 12.35 H new ATOM 0 HB3 HIS A 3 -11.241 -3.228 28.572 1.00 12.35 H new ATOM 0 HD2 HIS A 3 -13.870 -2.416 27.618 1.00 11.25 H new ATOM 0 HE1 HIS A 3 -15.136 -0.971 31.400 1.00 13.43 H new ATOM 0 HE2 HIS A 3 -15.658 -1.032 28.911 1.00 61.41 H new ATOM 45 N HIS A 4 -10.622 -6.806 30.325 1.00 24.34 N ATOM 46 CA HIS A 4 -9.393 -7.623 30.452 1.00 14.42 C ATOM 47 C HIS A 4 -9.399 -8.777 29.422 1.00 45.22 C ATOM 48 O HIS A 4 -9.755 -9.922 29.733 1.00 64.14 O ATOM 49 CB HIS A 4 -9.229 -8.156 31.903 1.00 72.32 C ATOM 50 CG HIS A 4 -7.971 -8.979 32.135 1.00 65.23 C ATOM 51 ND1 HIS A 4 -7.950 -10.359 32.089 1.00 20.14 N ATOM 52 CD2 HIS A 4 -6.694 -8.605 32.416 1.00 60.02 C ATOM 53 CE1 HIS A 4 -6.729 -10.792 32.333 1.00 41.11 C ATOM 54 NE2 HIS A 4 -5.945 -9.751 32.536 1.00 31.24 N ATOM 0 H HIS A 4 -11.342 -7.039 31.009 1.00 24.34 H new ATOM 0 HA HIS A 4 -8.533 -6.988 30.237 1.00 14.42 H new ATOM 0 HB2 HIS A 4 -9.225 -7.309 32.589 1.00 72.32 H new ATOM 0 HB3 HIS A 4 -10.098 -8.765 32.153 1.00 72.32 H new ATOM 0 HD2 HIS A 4 -6.334 -7.593 32.525 1.00 60.02 H new ATOM 0 HE1 HIS A 4 -6.422 -11.827 32.362 1.00 41.11 H new ATOM 0 HE2 HIS A 4 -4.948 -9.790 32.747 1.00 31.24 H new ATOM 63 N HIS A 5 -9.068 -8.408 28.178 1.00 72.12 N ATOM 64 CA HIS A 5 -8.866 -9.331 27.048 1.00 5.20 C ATOM 65 C HIS A 5 -8.180 -8.541 25.917 1.00 35.25 C ATOM 66 O HIS A 5 -8.827 -7.795 25.178 1.00 51.12 O ATOM 67 CB HIS A 5 -10.187 -10.039 26.584 1.00 74.32 C ATOM 68 CG HIS A 5 -11.365 -9.140 26.267 1.00 33.11 C ATOM 69 ND1 HIS A 5 -11.967 -9.095 25.025 1.00 73.44 N ATOM 70 CD2 HIS A 5 -12.085 -8.296 27.051 1.00 21.40 C ATOM 71 CE1 HIS A 5 -12.992 -8.265 25.059 1.00 43.10 C ATOM 72 NE2 HIS A 5 -13.088 -7.765 26.275 1.00 41.22 N ATOM 0 H HIS A 5 -8.929 -7.431 27.920 1.00 72.12 H new ATOM 0 HA HIS A 5 -8.226 -10.156 27.363 1.00 5.20 H new ATOM 0 HB2 HIS A 5 -9.962 -10.631 25.697 1.00 74.32 H new ATOM 0 HB3 HIS A 5 -10.491 -10.737 27.364 1.00 74.32 H new ATOM 0 HD2 HIS A 5 -11.903 -8.081 28.094 1.00 21.40 H new ATOM 0 HE1 HIS A 5 -13.644 -8.034 24.229 1.00 43.10 H new ATOM 0 HE2 HIS A 5 -13.790 -7.095 26.588 1.00 41.22 H new ATOM 81 N HIS A 6 -6.844 -8.710 25.802 1.00 41.15 N ATOM 82 CA HIS A 6 -5.956 -7.888 24.935 1.00 4.02 C ATOM 83 C HIS A 6 -6.130 -8.178 23.423 1.00 43.04 C ATOM 84 O HIS A 6 -5.325 -7.700 22.613 1.00 21.34 O ATOM 85 CB HIS A 6 -4.469 -8.122 25.333 1.00 12.21 C ATOM 86 CG HIS A 6 -4.154 -7.945 26.799 1.00 1.23 C ATOM 87 ND1 HIS A 6 -3.501 -8.905 27.547 1.00 20.43 N ATOM 88 CD2 HIS A 6 -4.377 -6.909 27.646 1.00 32.13 C ATOM 89 CE1 HIS A 6 -3.344 -8.473 28.781 1.00 12.31 C ATOM 90 NE2 HIS A 6 -3.862 -7.266 28.870 1.00 53.41 N ATOM 0 H HIS A 6 -6.339 -9.432 26.316 1.00 41.15 H new ATOM 0 HA HIS A 6 -6.244 -6.849 25.096 1.00 4.02 H new ATOM 0 HB2 HIS A 6 -4.187 -9.133 25.038 1.00 12.21 H new ATOM 0 HB3 HIS A 6 -3.845 -7.436 24.760 1.00 12.21 H new ATOM 0 HD2 HIS A 6 -4.867 -5.978 27.404 1.00 32.13 H new ATOM 0 HE1 HIS A 6 -2.870 -9.017 29.585 1.00 12.31 H new ATOM 0 HE2 HIS A 6 -3.879 -6.689 29.711 1.00 53.41 H new ATOM 99 N HIS A 7 -7.157 -8.977 23.061 1.00 54.44 N ATOM 100 CA HIS A 7 -7.490 -9.294 21.666 1.00 54.01 C ATOM 101 C HIS A 7 -7.718 -8.016 20.837 1.00 72.52 C ATOM 102 O HIS A 7 -8.713 -7.304 21.012 1.00 50.21 O ATOM 103 CB HIS A 7 -8.737 -10.209 21.601 1.00 14.04 C ATOM 104 CG HIS A 7 -9.170 -10.568 20.193 1.00 20.13 C ATOM 105 ND1 HIS A 7 -8.610 -11.599 19.468 1.00 5.22 N ATOM 106 CD2 HIS A 7 -10.101 -10.008 19.372 1.00 20.24 C ATOM 107 CE1 HIS A 7 -9.170 -11.650 18.275 1.00 3.45 C ATOM 108 NE2 HIS A 7 -10.072 -10.701 18.194 1.00 42.12 N ATOM 0 H HIS A 7 -7.779 -9.420 23.737 1.00 54.44 H new ATOM 0 HA HIS A 7 -6.641 -9.825 21.234 1.00 54.01 H new ATOM 0 HB2 HIS A 7 -8.530 -11.127 22.151 1.00 14.04 H new ATOM 0 HB3 HIS A 7 -9.565 -9.714 22.109 1.00 14.04 H new ATOM 0 HD2 HIS A 7 -10.743 -9.172 19.608 1.00 20.24 H new ATOM 0 HE1 HIS A 7 -8.926 -12.356 17.495 1.00 3.45 H new ATOM 0 HE2 HIS A 7 -10.658 -10.510 17.381 1.00 42.12 H new ATOM 117 N HIS A 8 -6.741 -7.731 19.977 1.00 44.13 N ATOM 118 CA HIS A 8 -6.813 -6.685 18.948 1.00 40.42 C ATOM 119 C HIS A 8 -6.805 -7.371 17.565 1.00 10.32 C ATOM 120 O HIS A 8 -7.253 -8.528 17.442 1.00 2.30 O ATOM 121 CB HIS A 8 -5.620 -5.705 19.136 1.00 74.14 C ATOM 122 CG HIS A 8 -5.631 -4.993 20.466 1.00 55.33 C ATOM 123 ND1 HIS A 8 -4.594 -5.051 21.378 1.00 44.54 N ATOM 124 CD2 HIS A 8 -6.576 -4.213 21.038 1.00 60.33 C ATOM 125 CE1 HIS A 8 -4.906 -4.344 22.442 1.00 33.42 C ATOM 126 NE2 HIS A 8 -6.103 -3.823 22.265 1.00 63.12 N ATOM 0 H HIS A 8 -5.853 -8.232 19.974 1.00 44.13 H new ATOM 0 HA HIS A 8 -7.728 -6.099 19.031 1.00 40.42 H new ATOM 0 HB2 HIS A 8 -4.686 -6.258 19.037 1.00 74.14 H new ATOM 0 HB3 HIS A 8 -5.638 -4.965 18.336 1.00 74.14 H new ATOM 0 HD2 HIS A 8 -7.530 -3.946 20.607 1.00 60.33 H new ATOM 0 HE1 HIS A 8 -4.285 -4.212 23.315 1.00 33.42 H new ATOM 0 HE2 HIS A 8 -6.596 -3.228 22.930 1.00 63.12 H new ATOM 135 N SER A 9 -6.348 -6.659 16.520 1.00 64.35 N ATOM 136 CA SER A 9 -6.160 -7.240 15.183 1.00 3.54 C ATOM 137 C SER A 9 -5.096 -8.367 15.234 1.00 50.00 C ATOM 138 O SER A 9 -3.912 -8.091 15.443 1.00 64.24 O ATOM 139 CB SER A 9 -5.748 -6.139 14.177 1.00 34.34 C ATOM 140 OG SER A 9 -6.704 -5.085 14.125 1.00 44.02 O ATOM 0 H SER A 9 -6.101 -5.671 16.579 1.00 64.35 H new ATOM 0 HA SER A 9 -7.102 -7.674 14.849 1.00 3.54 H new ATOM 0 HB2 SER A 9 -4.776 -5.734 14.459 1.00 34.34 H new ATOM 0 HB3 SER A 9 -5.635 -6.577 13.185 1.00 34.34 H new ATOM 0 HG SER A 9 -6.964 -4.925 13.194 1.00 44.02 H new ATOM 146 N HIS A 10 -5.546 -9.638 15.088 1.00 44.45 N ATOM 147 CA HIS A 10 -4.644 -10.829 15.068 1.00 63.45 C ATOM 148 C HIS A 10 -3.674 -10.763 13.863 1.00 25.23 C ATOM 149 O HIS A 10 -2.591 -11.357 13.879 1.00 21.45 O ATOM 150 CB HIS A 10 -5.472 -12.154 15.032 1.00 24.53 C ATOM 151 CG HIS A 10 -6.166 -12.432 13.715 1.00 23.52 C ATOM 152 ND1 HIS A 10 -7.406 -11.932 13.382 1.00 3.34 N ATOM 153 CD2 HIS A 10 -5.754 -13.141 12.628 1.00 14.11 C ATOM 154 CE1 HIS A 10 -7.722 -12.311 12.159 1.00 42.14 C ATOM 155 NE2 HIS A 10 -6.740 -13.043 11.682 1.00 60.12 N ATOM 0 H HIS A 10 -6.533 -9.871 14.981 1.00 44.45 H new ATOM 0 HA HIS A 10 -4.054 -10.820 15.985 1.00 63.45 H new ATOM 0 HB2 HIS A 10 -4.808 -12.988 15.260 1.00 24.53 H new ATOM 0 HB3 HIS A 10 -6.222 -12.119 15.822 1.00 24.53 H new ATOM 0 HD2 HIS A 10 -4.823 -13.680 12.530 1.00 14.11 H new ATOM 0 HE1 HIS A 10 -8.634 -12.062 11.637 1.00 42.14 H new ATOM 0 HE2 HIS A 10 -6.716 -13.470 10.756 1.00 60.12 H new ATOM 164 N MET A 11 -4.129 -10.061 12.814 1.00 31.23 N ATOM 165 CA MET A 11 -3.342 -9.723 11.633 1.00 24.34 C ATOM 166 C MET A 11 -2.650 -8.380 11.930 1.00 13.21 C ATOM 167 O MET A 11 -3.258 -7.309 11.789 1.00 74.41 O ATOM 168 CB MET A 11 -4.294 -9.659 10.399 1.00 33.04 C ATOM 169 CG MET A 11 -3.613 -9.582 9.028 1.00 43.13 C ATOM 170 SD MET A 11 -2.758 -8.027 8.725 1.00 0.25 S ATOM 171 CE MET A 11 -2.129 -8.325 7.080 1.00 75.01 C ATOM 0 H MET A 11 -5.084 -9.705 12.769 1.00 31.23 H new ATOM 0 HA MET A 11 -2.579 -10.466 11.403 1.00 24.34 H new ATOM 0 HB2 MET A 11 -4.936 -10.540 10.415 1.00 33.04 H new ATOM 0 HB3 MET A 11 -4.942 -8.790 10.510 1.00 33.04 H new ATOM 0 HG2 MET A 11 -2.899 -10.401 8.941 1.00 43.13 H new ATOM 0 HG3 MET A 11 -4.364 -9.730 8.252 1.00 43.13 H new ATOM 0 HE1 MET A 11 -1.570 -7.453 6.740 1.00 75.01 H new ATOM 0 HE2 MET A 11 -1.471 -9.194 7.094 1.00 75.01 H new ATOM 0 HE3 MET A 11 -2.961 -8.510 6.400 1.00 75.01 H new ATOM 181 N PHE A 12 -1.409 -8.467 12.442 1.00 22.32 N ATOM 182 CA PHE A 12 -0.653 -7.306 12.943 1.00 5.21 C ATOM 183 C PHE A 12 0.043 -6.576 11.790 1.00 74.40 C ATOM 184 O PHE A 12 0.746 -7.203 10.982 1.00 72.10 O ATOM 185 CB PHE A 12 0.407 -7.755 13.990 1.00 52.11 C ATOM 186 CG PHE A 12 -0.184 -8.411 15.242 1.00 14.40 C ATOM 187 CD1 PHE A 12 -0.785 -7.633 16.233 1.00 5.51 C ATOM 188 CD2 PHE A 12 -0.170 -9.797 15.415 1.00 71.22 C ATOM 189 CE1 PHE A 12 -1.325 -8.216 17.366 1.00 63.40 C ATOM 190 CE2 PHE A 12 -0.714 -10.378 16.549 1.00 41.00 C ATOM 191 CZ PHE A 12 -1.301 -9.588 17.517 1.00 72.43 C ATOM 0 H PHE A 12 -0.901 -9.348 12.520 1.00 22.32 H new ATOM 0 HA PHE A 12 -1.359 -6.625 13.419 1.00 5.21 H new ATOM 0 HB2 PHE A 12 1.094 -8.456 13.517 1.00 52.11 H new ATOM 0 HB3 PHE A 12 0.994 -6.887 14.291 1.00 52.11 H new ATOM 0 HD1 PHE A 12 -0.829 -6.561 16.114 1.00 5.51 H new ATOM 0 HD2 PHE A 12 0.271 -10.424 14.654 1.00 71.22 H new ATOM 0 HE1 PHE A 12 -1.766 -7.597 18.133 1.00 63.40 H new ATOM 0 HE2 PHE A 12 -0.679 -11.450 16.676 1.00 41.00 H new ATOM 0 HZ PHE A 12 -1.741 -10.043 18.392 1.00 72.43 H new ATOM 201 N ILE A 13 -0.154 -5.249 11.723 1.00 72.24 N ATOM 202 CA ILE A 13 0.530 -4.380 10.757 1.00 60.54 C ATOM 203 C ILE A 13 1.388 -3.367 11.534 1.00 53.30 C ATOM 204 O ILE A 13 0.882 -2.667 12.417 1.00 72.14 O ATOM 205 CB ILE A 13 -0.496 -3.622 9.821 1.00 71.35 C ATOM 206 CG1 ILE A 13 -1.438 -4.641 9.099 1.00 23.20 C ATOM 207 CG2 ILE A 13 0.233 -2.702 8.791 1.00 4.44 C ATOM 208 CD1 ILE A 13 -2.530 -4.015 8.255 1.00 44.23 C ATOM 0 H ILE A 13 -0.794 -4.749 12.340 1.00 72.24 H new ATOM 0 HA ILE A 13 1.158 -4.996 10.113 1.00 60.54 H new ATOM 0 HB ILE A 13 -1.107 -2.977 10.452 1.00 71.35 H new ATOM 0 HG12 ILE A 13 -0.832 -5.285 8.462 1.00 23.20 H new ATOM 0 HG13 ILE A 13 -1.901 -5.280 9.851 1.00 23.20 H new ATOM 0 HG21 ILE A 13 -0.505 -2.199 8.166 1.00 4.44 H new ATOM 0 HG22 ILE A 13 0.826 -1.958 9.323 1.00 4.44 H new ATOM 0 HG23 ILE A 13 0.888 -3.306 8.163 1.00 4.44 H new ATOM 0 HD11 ILE A 13 -3.130 -4.800 7.796 1.00 44.23 H new ATOM 0 HD12 ILE A 13 -3.166 -3.394 8.886 1.00 44.23 H new ATOM 0 HD13 ILE A 13 -2.080 -3.400 7.476 1.00 44.23 H new ATOM 220 N GLN A 14 2.691 -3.332 11.236 1.00 62.04 N ATOM 221 CA GLN A 14 3.623 -2.317 11.746 1.00 22.33 C ATOM 222 C GLN A 14 3.789 -1.247 10.664 1.00 31.04 C ATOM 223 O GLN A 14 3.934 -1.582 9.498 1.00 73.23 O ATOM 224 CB GLN A 14 5.000 -2.971 12.056 1.00 64.15 C ATOM 225 CG GLN A 14 6.108 -1.989 12.496 1.00 23.20 C ATOM 226 CD GLN A 14 7.477 -2.667 12.664 1.00 3.44 C ATOM 227 OE1 GLN A 14 7.822 -3.144 13.745 1.00 1.22 O ATOM 228 NE2 GLN A 14 8.259 -2.727 11.585 1.00 31.41 N ATOM 0 H GLN A 14 3.136 -4.017 10.625 1.00 62.04 H new ATOM 0 HA GLN A 14 3.237 -1.874 12.664 1.00 22.33 H new ATOM 0 HB2 GLN A 14 4.863 -3.715 12.841 1.00 64.15 H new ATOM 0 HB3 GLN A 14 5.340 -3.504 11.168 1.00 64.15 H new ATOM 0 HG2 GLN A 14 6.192 -1.190 11.759 1.00 23.20 H new ATOM 0 HG3 GLN A 14 5.821 -1.524 13.439 1.00 23.20 H new ATOM 0 HE21 GLN A 14 7.944 -2.322 10.704 1.00 31.41 H new ATOM 0 HE22 GLN A 14 9.172 -3.178 11.641 1.00 31.41 H new ATOM 237 N THR A 15 3.747 0.029 11.042 1.00 24.43 N ATOM 238 CA THR A 15 4.087 1.131 10.130 1.00 62.25 C ATOM 239 C THR A 15 5.487 1.655 10.444 1.00 4.01 C ATOM 240 O THR A 15 5.883 1.736 11.614 1.00 74.12 O ATOM 241 CB THR A 15 3.031 2.286 10.183 1.00 24.12 C ATOM 242 OG1 THR A 15 2.712 2.643 11.545 1.00 55.22 O ATOM 243 CG2 THR A 15 1.748 1.893 9.439 1.00 1.54 C ATOM 0 H THR A 15 3.480 0.332 11.979 1.00 24.43 H new ATOM 0 HA THR A 15 4.074 0.739 9.113 1.00 62.25 H new ATOM 0 HB THR A 15 3.475 3.151 9.691 1.00 24.12 H new ATOM 0 HG1 THR A 15 3.504 2.521 12.109 1.00 55.22 H new ATOM 0 HG21 THR A 15 1.032 2.713 9.491 1.00 1.54 H new ATOM 0 HG22 THR A 15 1.983 1.682 8.396 1.00 1.54 H new ATOM 0 HG23 THR A 15 1.317 1.005 9.901 1.00 1.54 H new ATOM 251 N GLN A 16 6.225 1.993 9.385 1.00 74.23 N ATOM 252 CA GLN A 16 7.602 2.478 9.468 1.00 12.53 C ATOM 253 C GLN A 16 7.803 3.571 8.415 1.00 61.23 C ATOM 254 O GLN A 16 7.371 3.422 7.267 1.00 75.32 O ATOM 255 CB GLN A 16 8.590 1.300 9.257 1.00 4.31 C ATOM 256 CG GLN A 16 10.081 1.668 9.385 1.00 22.04 C ATOM 257 CD GLN A 16 11.016 0.458 9.280 1.00 34.13 C ATOM 258 OE1 GLN A 16 10.655 -0.661 9.649 1.00 43.31 O ATOM 259 NE2 GLN A 16 12.219 0.671 8.776 1.00 22.25 N ATOM 0 H GLN A 16 5.875 1.936 8.429 1.00 74.23 H new ATOM 0 HA GLN A 16 7.797 2.900 10.454 1.00 12.53 H new ATOM 0 HB2 GLN A 16 8.361 0.519 9.982 1.00 4.31 H new ATOM 0 HB3 GLN A 16 8.420 0.876 8.267 1.00 4.31 H new ATOM 0 HG2 GLN A 16 10.339 2.386 8.607 1.00 22.04 H new ATOM 0 HG3 GLN A 16 10.245 2.163 10.342 1.00 22.04 H new ATOM 0 HE21 GLN A 16 12.489 1.609 8.479 1.00 22.25 H new ATOM 0 HE22 GLN A 16 12.878 -0.102 8.684 1.00 22.25 H new ATOM 268 N ASP A 17 8.440 4.669 8.833 1.00 45.42 N ATOM 269 CA ASP A 17 8.707 5.837 7.974 1.00 42.54 C ATOM 270 C ASP A 17 9.740 5.495 6.890 1.00 4.12 C ATOM 271 O ASP A 17 10.464 4.499 6.992 1.00 21.30 O ATOM 272 CB ASP A 17 9.195 7.028 8.838 1.00 63.42 C ATOM 273 CG ASP A 17 10.550 6.768 9.532 1.00 62.02 C ATOM 274 OD1 ASP A 17 10.602 5.928 10.454 1.00 23.54 O ATOM 275 OD2 ASP A 17 11.561 7.412 9.163 1.00 60.12 O ATOM 0 H ASP A 17 8.790 4.778 9.785 1.00 45.42 H new ATOM 0 HA ASP A 17 7.780 6.120 7.475 1.00 42.54 H new ATOM 0 HB2 ASP A 17 9.282 7.913 8.208 1.00 63.42 H new ATOM 0 HB3 ASP A 17 8.444 7.249 9.596 1.00 63.42 H new ATOM 280 N THR A 18 9.787 6.329 5.849 1.00 24.25 N ATOM 281 CA THR A 18 10.763 6.208 4.749 1.00 33.43 C ATOM 282 C THR A 18 11.701 7.451 4.773 1.00 32.43 C ATOM 283 O THR A 18 11.485 8.342 5.608 1.00 44.40 O ATOM 284 CB THR A 18 10.001 6.062 3.380 1.00 41.12 C ATOM 285 OG1 THR A 18 9.266 7.245 3.094 1.00 34.13 O ATOM 286 CG2 THR A 18 9.038 4.865 3.377 1.00 20.13 C ATOM 0 H THR A 18 9.147 7.115 5.739 1.00 24.25 H new ATOM 0 HA THR A 18 11.378 5.317 4.873 1.00 33.43 H new ATOM 0 HB THR A 18 10.758 5.895 2.614 1.00 41.12 H new ATOM 0 HG1 THR A 18 9.348 7.870 3.844 1.00 34.13 H new ATOM 0 HG21 THR A 18 8.535 4.805 2.412 1.00 20.13 H new ATOM 0 HG22 THR A 18 9.598 3.947 3.552 1.00 20.13 H new ATOM 0 HG23 THR A 18 8.296 4.993 4.165 1.00 20.13 H new ATOM 294 N PRO A 19 12.778 7.550 3.902 1.00 43.14 N ATOM 295 CA PRO A 19 13.611 8.786 3.789 1.00 74.03 C ATOM 296 C PRO A 19 12.798 10.092 3.602 1.00 62.33 C ATOM 297 O PRO A 19 13.296 11.177 3.906 1.00 42.51 O ATOM 298 CB PRO A 19 14.534 8.506 2.564 1.00 10.01 C ATOM 299 CG PRO A 19 13.982 7.263 1.918 1.00 41.53 C ATOM 300 CD PRO A 19 13.345 6.475 3.036 1.00 20.35 C ATOM 0 HA PRO A 19 14.157 8.968 4.715 1.00 74.03 H new ATOM 0 HB2 PRO A 19 14.528 9.345 1.868 1.00 10.01 H new ATOM 0 HB3 PRO A 19 15.568 8.359 2.877 1.00 10.01 H new ATOM 0 HG2 PRO A 19 13.252 7.512 1.148 1.00 41.53 H new ATOM 0 HG3 PRO A 19 14.772 6.689 1.434 1.00 41.53 H new ATOM 0 HD2 PRO A 19 12.572 5.800 2.668 1.00 20.35 H new ATOM 0 HD3 PRO A 19 14.074 5.865 3.570 1.00 20.35 H new ATOM 308 N ASN A 20 11.546 9.976 3.106 1.00 70.55 N ATOM 309 CA ASN A 20 10.609 11.117 2.987 1.00 31.45 C ATOM 310 C ASN A 20 9.369 10.887 3.880 1.00 2.52 C ATOM 311 O ASN A 20 8.825 9.788 3.880 1.00 23.22 O ATOM 312 CB ASN A 20 10.169 11.318 1.515 1.00 13.13 C ATOM 313 CG ASN A 20 11.328 11.697 0.595 1.00 63.43 C ATOM 314 OD1 ASN A 20 11.952 10.839 -0.037 1.00 34.11 O ATOM 315 ND2 ASN A 20 11.651 12.983 0.539 1.00 43.10 N ATOM 0 H ASN A 20 11.157 9.092 2.778 1.00 70.55 H new ATOM 0 HA ASN A 20 11.126 12.017 3.320 1.00 31.45 H new ATOM 0 HB2 ASN A 20 9.707 10.400 1.150 1.00 13.13 H new ATOM 0 HB3 ASN A 20 9.408 12.097 1.472 1.00 13.13 H new ATOM 0 HD21 ASN A 20 12.435 13.287 -0.038 1.00 43.10 H new ATOM 0 HD22 ASN A 20 11.115 13.667 1.073 1.00 43.10 H new ATOM 322 N PRO A 21 8.887 11.924 4.650 1.00 42.54 N ATOM 323 CA PRO A 21 7.617 11.832 5.436 1.00 43.50 C ATOM 324 C PRO A 21 6.358 11.810 4.535 1.00 22.13 C ATOM 325 O PRO A 21 5.254 11.491 4.993 1.00 5.14 O ATOM 326 CB PRO A 21 7.661 13.104 6.319 1.00 22.11 C ATOM 327 CG PRO A 21 8.493 14.075 5.547 1.00 53.41 C ATOM 328 CD PRO A 21 9.549 13.247 4.852 1.00 12.41 C ATOM 0 HA PRO A 21 7.549 10.907 6.008 1.00 43.50 H new ATOM 0 HB2 PRO A 21 6.660 13.496 6.498 1.00 22.11 H new ATOM 0 HB3 PRO A 21 8.101 12.894 7.294 1.00 22.11 H new ATOM 0 HG2 PRO A 21 7.887 14.623 4.825 1.00 53.41 H new ATOM 0 HG3 PRO A 21 8.947 14.814 6.208 1.00 53.41 H new ATOM 0 HD2 PRO A 21 9.848 13.694 3.904 1.00 12.41 H new ATOM 0 HD3 PRO A 21 10.450 13.155 5.459 1.00 12.41 H new ATOM 336 N ASN A 22 6.548 12.151 3.248 1.00 73.52 N ATOM 337 CA ASN A 22 5.494 12.098 2.213 1.00 51.43 C ATOM 338 C ASN A 22 5.222 10.646 1.759 1.00 53.32 C ATOM 339 O ASN A 22 4.294 10.401 0.980 1.00 32.11 O ATOM 340 CB ASN A 22 5.896 12.982 1.006 1.00 52.20 C ATOM 341 CG ASN A 22 6.048 14.464 1.370 1.00 1.35 C ATOM 342 OD1 ASN A 22 7.104 14.891 1.842 1.00 71.51 O ATOM 343 ND2 ASN A 22 5.007 15.254 1.146 1.00 14.33 N ATOM 0 H ASN A 22 7.447 12.475 2.891 1.00 73.52 H new ATOM 0 HA ASN A 22 4.571 12.484 2.645 1.00 51.43 H new ATOM 0 HB2 ASN A 22 6.837 12.617 0.593 1.00 52.20 H new ATOM 0 HB3 ASN A 22 5.144 12.882 0.223 1.00 52.20 H new ATOM 0 HD21 ASN A 22 5.065 16.248 1.365 1.00 14.33 H new ATOM 0 HD22 ASN A 22 4.148 14.867 0.754 1.00 14.33 H new ATOM 350 N SER A 23 6.038 9.697 2.253 1.00 55.31 N ATOM 351 CA SER A 23 5.862 8.256 2.015 1.00 53.10 C ATOM 352 C SER A 23 5.948 7.495 3.356 1.00 71.22 C ATOM 353 O SER A 23 6.701 7.885 4.261 1.00 72.32 O ATOM 354 CB SER A 23 6.903 7.732 0.993 1.00 62.05 C ATOM 355 OG SER A 23 6.721 8.340 -0.276 1.00 55.24 O ATOM 0 H SER A 23 6.847 9.914 2.835 1.00 55.31 H new ATOM 0 HA SER A 23 4.876 8.083 1.583 1.00 53.10 H new ATOM 0 HB2 SER A 23 7.910 7.936 1.357 1.00 62.05 H new ATOM 0 HB3 SER A 23 6.812 6.650 0.898 1.00 62.05 H new ATOM 0 HG SER A 23 7.390 7.995 -0.903 1.00 55.24 H new ATOM 361 N LEU A 24 5.142 6.434 3.481 1.00 34.14 N ATOM 362 CA LEU A 24 5.084 5.582 4.680 1.00 1.52 C ATOM 363 C LEU A 24 4.931 4.129 4.222 1.00 61.14 C ATOM 364 O LEU A 24 4.095 3.845 3.361 1.00 34.53 O ATOM 365 CB LEU A 24 3.878 5.992 5.569 1.00 41.15 C ATOM 366 CG LEU A 24 3.699 5.229 6.915 1.00 73.21 C ATOM 367 CD1 LEU A 24 4.855 5.529 7.889 1.00 61.42 C ATOM 368 CD2 LEU A 24 2.331 5.558 7.549 1.00 0.20 C ATOM 0 H LEU A 24 4.502 6.137 2.744 1.00 34.14 H new ATOM 0 HA LEU A 24 5.994 5.698 5.269 1.00 1.52 H new ATOM 0 HB2 LEU A 24 3.968 7.055 5.792 1.00 41.15 H new ATOM 0 HB3 LEU A 24 2.967 5.865 4.984 1.00 41.15 H new ATOM 0 HG LEU A 24 3.724 4.160 6.702 1.00 73.21 H new ATOM 0 HD11 LEU A 24 4.699 4.981 8.818 1.00 61.42 H new ATOM 0 HD12 LEU A 24 5.799 5.220 7.440 1.00 61.42 H new ATOM 0 HD13 LEU A 24 4.886 6.598 8.099 1.00 61.42 H new ATOM 0 HD21 LEU A 24 2.225 5.015 8.488 1.00 0.20 H new ATOM 0 HD22 LEU A 24 2.267 6.629 7.740 1.00 0.20 H new ATOM 0 HD23 LEU A 24 1.534 5.262 6.867 1.00 0.20 H new ATOM 380 N LYS A 25 5.743 3.217 4.784 1.00 71.21 N ATOM 381 CA LYS A 25 5.697 1.794 4.410 1.00 31.15 C ATOM 382 C LYS A 25 4.971 0.969 5.494 1.00 2.41 C ATOM 383 O LYS A 25 5.289 1.055 6.686 1.00 71.42 O ATOM 384 CB LYS A 25 7.118 1.248 4.072 1.00 55.13 C ATOM 385 CG LYS A 25 8.054 0.888 5.242 1.00 0.00 C ATOM 386 CD LYS A 25 9.486 0.558 4.740 1.00 14.33 C ATOM 387 CE LYS A 25 10.297 -0.285 5.728 1.00 50.24 C ATOM 388 NZ LYS A 25 9.760 -1.667 5.847 1.00 41.31 N ATOM 0 H LYS A 25 6.437 3.440 5.497 1.00 71.21 H new ATOM 0 HA LYS A 25 5.113 1.692 3.495 1.00 31.15 H new ATOM 0 HB2 LYS A 25 6.995 0.357 3.457 1.00 55.13 H new ATOM 0 HB3 LYS A 25 7.624 1.992 3.457 1.00 55.13 H new ATOM 0 HG2 LYS A 25 8.096 1.719 5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.650 0.032 5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.417 0.026 3.791 1.00 14.33 H new ATOM 0 HD3 LYS A 25 10.018 1.489 4.545 1.00 14.33 H new ATOM 0 HE2 LYS A 25 11.337 -0.326 5.403 1.00 50.24 H new ATOM 0 HE3 LYS A 25 10.288 0.194 6.707 1.00 50.24 H new ATOM 0 HZ1 LYS A 25 9.572 -1.882 6.847 1.00 41.31 H new ATOM 0 HZ2 LYS A 25 8.876 -1.744 5.304 1.00 41.31 H new ATOM 0 HZ3 LYS A 25 10.456 -2.343 5.473 1.00 41.31 H new ATOM 402 N PHE A 26 3.974 0.195 5.054 1.00 63.54 N ATOM 403 CA PHE A 26 3.093 -0.601 5.908 1.00 11.41 C ATOM 404 C PHE A 26 3.551 -2.060 5.841 1.00 54.32 C ATOM 405 O PHE A 26 3.368 -2.716 4.806 1.00 72.32 O ATOM 406 CB PHE A 26 1.624 -0.474 5.395 1.00 22.35 C ATOM 407 CG PHE A 26 1.053 0.960 5.402 1.00 42.31 C ATOM 408 CD1 PHE A 26 1.439 1.905 4.439 1.00 50.41 C ATOM 409 CD2 PHE A 26 0.133 1.361 6.370 1.00 0.22 C ATOM 410 CE1 PHE A 26 0.931 3.197 4.461 1.00 63.02 C ATOM 411 CE2 PHE A 26 -0.370 2.652 6.392 1.00 54.01 C ATOM 412 CZ PHE A 26 0.025 3.567 5.436 1.00 53.21 C ATOM 0 H PHE A 26 3.753 0.104 4.062 1.00 63.54 H new ATOM 0 HA PHE A 26 3.135 -0.248 6.938 1.00 11.41 H new ATOM 0 HB2 PHE A 26 1.575 -0.864 4.378 1.00 22.35 H new ATOM 0 HB3 PHE A 26 0.984 -1.107 6.010 1.00 22.35 H new ATOM 0 HD1 PHE A 26 2.142 1.623 3.669 1.00 50.41 H new ATOM 0 HD2 PHE A 26 -0.194 0.652 7.117 1.00 0.22 H new ATOM 0 HE1 PHE A 26 1.244 3.913 3.716 1.00 63.02 H new ATOM 0 HE2 PHE A 26 -1.073 2.943 7.159 1.00 54.01 H new ATOM 0 HZ PHE A 26 -0.374 4.571 5.451 1.00 53.21 H new ATOM 422 N ILE A 27 4.204 -2.544 6.906 1.00 3.05 N ATOM 423 CA ILE A 27 4.615 -3.946 7.036 1.00 0.33 C ATOM 424 C ILE A 27 3.374 -4.740 7.503 1.00 72.53 C ATOM 425 O ILE A 27 2.966 -4.586 8.651 1.00 34.42 O ATOM 426 CB ILE A 27 5.787 -4.161 8.097 1.00 31.23 C ATOM 427 CG1 ILE A 27 7.092 -3.342 7.769 1.00 22.22 C ATOM 428 CG2 ILE A 27 6.116 -5.675 8.264 1.00 55.53 C ATOM 429 CD1 ILE A 27 7.010 -1.832 7.994 1.00 41.04 C ATOM 0 H ILE A 27 4.463 -1.968 7.707 1.00 3.05 H new ATOM 0 HA ILE A 27 4.997 -4.283 6.072 1.00 0.33 H new ATOM 0 HB ILE A 27 5.411 -3.770 9.042 1.00 31.23 H new ATOM 0 HG12 ILE A 27 7.907 -3.736 8.377 1.00 22.22 H new ATOM 0 HG13 ILE A 27 7.357 -3.520 6.727 1.00 22.22 H new ATOM 0 HG21 ILE A 27 6.918 -5.795 8.992 1.00 55.53 H new ATOM 0 HG22 ILE A 27 5.228 -6.204 8.611 1.00 55.53 H new ATOM 0 HG23 ILE A 27 6.432 -6.087 7.305 1.00 55.53 H new ATOM 0 HD11 ILE A 27 7.964 -1.373 7.736 1.00 41.04 H new ATOM 0 HD12 ILE A 27 6.224 -1.413 7.366 1.00 41.04 H new ATOM 0 HD13 ILE A 27 6.783 -1.632 9.041 1.00 41.04 H new ATOM 441 N PRO A 28 2.761 -5.610 6.649 1.00 23.32 N ATOM 442 CA PRO A 28 1.546 -6.367 7.020 1.00 12.52 C ATOM 443 C PRO A 28 1.873 -7.712 7.701 1.00 1.34 C ATOM 444 O PRO A 28 1.042 -8.634 7.717 1.00 14.04 O ATOM 445 CB PRO A 28 0.891 -6.567 5.643 1.00 74.40 C ATOM 446 CG PRO A 28 2.038 -6.761 4.703 1.00 51.24 C ATOM 447 CD PRO A 28 3.204 -5.958 5.266 1.00 5.52 C ATOM 0 HA PRO A 28 0.916 -5.859 7.750 1.00 12.52 H new ATOM 0 HB2 PRO A 28 0.227 -7.432 5.642 1.00 74.40 H new ATOM 0 HB3 PRO A 28 0.289 -5.703 5.361 1.00 74.40 H new ATOM 0 HG2 PRO A 28 2.298 -7.816 4.622 1.00 51.24 H new ATOM 0 HG3 PRO A 28 1.780 -6.418 3.701 1.00 51.24 H new ATOM 0 HD2 PRO A 28 4.124 -6.542 5.276 1.00 5.52 H new ATOM 0 HD3 PRO A 28 3.399 -5.065 4.672 1.00 5.52 H new ATOM 455 N GLY A 29 3.095 -7.811 8.257 1.00 42.23 N ATOM 456 CA GLY A 29 3.615 -9.064 8.792 1.00 21.11 C ATOM 457 C GLY A 29 4.183 -9.967 7.704 1.00 61.44 C ATOM 458 O GLY A 29 5.324 -10.435 7.800 1.00 20.43 O ATOM 0 H GLY A 29 3.739 -7.025 8.343 1.00 42.23 H new ATOM 0 HA2 GLY A 29 4.393 -8.848 9.525 1.00 21.11 H new ATOM 0 HA3 GLY A 29 2.818 -9.590 9.318 1.00 21.11 H new ATOM 462 N LYS A 30 3.364 -10.235 6.680 1.00 21.31 N ATOM 463 CA LYS A 30 3.720 -11.108 5.556 1.00 31.11 C ATOM 464 C LYS A 30 4.518 -10.324 4.483 1.00 61.04 C ATOM 465 O LYS A 30 4.070 -9.250 4.065 1.00 22.15 O ATOM 466 CB LYS A 30 2.424 -11.700 4.935 1.00 2.43 C ATOM 467 CG LYS A 30 1.536 -12.457 5.945 1.00 1.30 C ATOM 468 CD LYS A 30 0.256 -13.045 5.313 1.00 1.25 C ATOM 469 CE LYS A 30 -0.702 -13.639 6.363 1.00 15.23 C ATOM 470 NZ LYS A 30 -0.114 -14.796 7.092 1.00 24.04 N ATOM 0 H LYS A 30 2.424 -9.847 6.608 1.00 21.31 H new ATOM 0 HA LYS A 30 4.352 -11.917 5.922 1.00 31.11 H new ATOM 0 HB2 LYS A 30 1.844 -10.891 4.490 1.00 2.43 H new ATOM 0 HB3 LYS A 30 2.697 -12.378 4.127 1.00 2.43 H new ATOM 0 HG2 LYS A 30 2.115 -13.264 6.394 1.00 1.30 H new ATOM 0 HG3 LYS A 30 1.256 -11.779 6.751 1.00 1.30 H new ATOM 0 HD2 LYS A 30 -0.261 -12.265 4.755 1.00 1.25 H new ATOM 0 HD3 LYS A 30 0.531 -13.820 4.597 1.00 1.25 H new ATOM 0 HE2 LYS A 30 -0.974 -12.864 7.080 1.00 15.23 H new ATOM 0 HE3 LYS A 30 -1.622 -13.955 5.871 1.00 15.23 H new ATOM 0 HZ1 LYS A 30 -0.801 -15.155 7.785 1.00 24.04 H new ATOM 0 HZ2 LYS A 30 0.121 -15.550 6.415 1.00 24.04 H new ATOM 0 HZ3 LYS A 30 0.749 -14.493 7.586 1.00 24.04 H new ATOM 484 N PRO A 31 5.718 -10.826 4.038 1.00 63.20 N ATOM 485 CA PRO A 31 6.473 -10.210 2.916 1.00 71.11 C ATOM 486 C PRO A 31 5.653 -10.225 1.599 1.00 70.54 C ATOM 487 O PRO A 31 5.459 -11.289 0.996 1.00 4.04 O ATOM 488 CB PRO A 31 7.762 -11.084 2.826 1.00 52.42 C ATOM 489 CG PRO A 31 7.875 -11.736 4.170 1.00 11.13 C ATOM 490 CD PRO A 31 6.453 -11.990 4.611 1.00 43.31 C ATOM 0 HA PRO A 31 6.698 -9.156 3.078 1.00 71.11 H new ATOM 0 HB2 PRO A 31 7.682 -11.826 2.032 1.00 52.42 H new ATOM 0 HB3 PRO A 31 8.639 -10.475 2.607 1.00 52.42 H new ATOM 0 HG2 PRO A 31 8.440 -12.666 4.110 1.00 11.13 H new ATOM 0 HG3 PRO A 31 8.397 -11.091 4.877 1.00 11.13 H new ATOM 0 HD2 PRO A 31 6.073 -12.937 4.227 1.00 43.31 H new ATOM 0 HD3 PRO A 31 6.367 -12.028 5.697 1.00 43.31 H new ATOM 498 N VAL A 32 5.153 -9.037 1.186 1.00 21.03 N ATOM 499 CA VAL A 32 4.192 -8.909 0.064 1.00 20.50 C ATOM 500 C VAL A 32 4.786 -9.380 -1.283 1.00 30.11 C ATOM 501 O VAL A 32 4.149 -10.168 -1.998 1.00 43.45 O ATOM 502 CB VAL A 32 3.591 -7.454 -0.052 1.00 35.31 C ATOM 503 CG1 VAL A 32 2.653 -7.157 1.137 1.00 74.51 C ATOM 504 CG2 VAL A 32 4.693 -6.379 -0.169 1.00 62.44 C ATOM 0 H VAL A 32 5.402 -8.146 1.617 1.00 21.03 H new ATOM 0 HA VAL A 32 3.367 -9.581 0.302 1.00 20.50 H new ATOM 0 HB VAL A 32 3.008 -7.414 -0.972 1.00 35.31 H new ATOM 0 HG11 VAL A 32 2.249 -6.149 1.039 1.00 74.51 H new ATOM 0 HG12 VAL A 32 1.835 -7.877 1.144 1.00 74.51 H new ATOM 0 HG13 VAL A 32 3.212 -7.234 2.070 1.00 74.51 H new ATOM 0 HG21 VAL A 32 4.233 -5.394 -0.247 1.00 62.44 H new ATOM 0 HG22 VAL A 32 5.330 -6.414 0.715 1.00 62.44 H new ATOM 0 HG23 VAL A 32 5.294 -6.570 -1.058 1.00 62.44 H new ATOM 514 N LEU A 33 6.008 -8.922 -1.623 1.00 13.23 N ATOM 515 CA LEU A 33 6.743 -9.408 -2.807 1.00 13.31 C ATOM 516 C LEU A 33 8.163 -9.795 -2.385 1.00 20.33 C ATOM 517 O LEU A 33 9.097 -9.039 -2.586 1.00 41.24 O ATOM 518 CB LEU A 33 6.783 -8.350 -3.959 1.00 52.30 C ATOM 519 CG LEU A 33 5.438 -7.988 -4.660 1.00 51.42 C ATOM 520 CD1 LEU A 33 5.666 -6.980 -5.809 1.00 54.31 C ATOM 521 CD2 LEU A 33 4.693 -9.246 -5.167 1.00 23.40 C ATOM 0 H LEU A 33 6.509 -8.211 -1.090 1.00 13.23 H new ATOM 0 HA LEU A 33 6.217 -10.278 -3.202 1.00 13.31 H new ATOM 0 HB2 LEU A 33 7.208 -7.431 -3.555 1.00 52.30 H new ATOM 0 HB3 LEU A 33 7.472 -8.712 -4.722 1.00 52.30 H new ATOM 0 HG LEU A 33 4.802 -7.515 -3.912 1.00 51.42 H new ATOM 0 HD11 LEU A 33 4.712 -6.744 -6.281 1.00 54.31 H new ATOM 0 HD12 LEU A 33 6.109 -6.067 -5.410 1.00 54.31 H new ATOM 0 HD13 LEU A 33 6.338 -7.416 -6.548 1.00 54.31 H new ATOM 0 HD21 LEU A 33 3.762 -8.948 -5.649 1.00 23.40 H new ATOM 0 HD22 LEU A 33 5.320 -9.775 -5.885 1.00 23.40 H new ATOM 0 HD23 LEU A 33 4.472 -9.902 -4.325 1.00 23.40 H new ATOM 533 N GLU A 34 8.311 -10.961 -1.750 1.00 22.23 N ATOM 534 CA GLU A 34 9.649 -11.524 -1.433 1.00 74.20 C ATOM 535 C GLU A 34 10.316 -12.087 -2.714 1.00 73.44 C ATOM 536 O GLU A 34 11.539 -12.245 -2.783 1.00 20.41 O ATOM 537 CB GLU A 34 9.522 -12.612 -0.330 1.00 32.54 C ATOM 538 CG GLU A 34 10.866 -13.203 0.162 1.00 62.24 C ATOM 539 CD GLU A 34 10.718 -14.179 1.343 1.00 0.22 C ATOM 540 OE1 GLU A 34 10.725 -13.725 2.508 1.00 15.30 O ATOM 541 OE2 GLU A 34 10.587 -15.404 1.110 1.00 52.00 O ATOM 0 H GLU A 34 7.530 -11.540 -1.441 1.00 22.23 H new ATOM 0 HA GLU A 34 10.290 -10.730 -1.050 1.00 74.20 H new ATOM 0 HB2 GLU A 34 8.996 -12.184 0.523 1.00 32.54 H new ATOM 0 HB3 GLU A 34 8.903 -13.424 -0.711 1.00 32.54 H new ATOM 0 HG2 GLU A 34 11.350 -13.720 -0.666 1.00 62.24 H new ATOM 0 HG3 GLU A 34 11.525 -12.387 0.457 1.00 62.24 H new ATOM 548 N THR A 35 9.487 -12.363 -3.727 1.00 13.35 N ATOM 549 CA THR A 35 9.924 -12.926 -5.016 1.00 43.43 C ATOM 550 C THR A 35 10.470 -11.830 -5.974 1.00 44.31 C ATOM 551 O THR A 35 11.376 -12.096 -6.775 1.00 30.15 O ATOM 552 CB THR A 35 8.727 -13.690 -5.679 1.00 20.55 C ATOM 553 OG1 THR A 35 8.109 -14.558 -4.709 1.00 62.32 O ATOM 554 CG2 THR A 35 9.160 -14.533 -6.893 1.00 45.54 C ATOM 0 H THR A 35 8.481 -12.201 -3.677 1.00 13.35 H new ATOM 0 HA THR A 35 10.744 -13.619 -4.826 1.00 43.43 H new ATOM 0 HB THR A 35 8.024 -12.935 -6.030 1.00 20.55 H new ATOM 0 HG1 THR A 35 7.360 -15.033 -5.126 1.00 62.32 H new ATOM 0 HG21 THR A 35 8.291 -15.040 -7.312 1.00 45.54 H new ATOM 0 HG22 THR A 35 9.601 -13.883 -7.649 1.00 45.54 H new ATOM 0 HG23 THR A 35 9.895 -15.274 -6.578 1.00 45.54 H new ATOM 562 N ARG A 36 9.931 -10.596 -5.862 1.00 34.13 N ATOM 563 CA ARG A 36 10.279 -9.470 -6.769 1.00 72.13 C ATOM 564 C ARG A 36 10.055 -8.116 -6.055 1.00 63.30 C ATOM 565 O ARG A 36 9.890 -8.074 -4.849 1.00 64.42 O ATOM 566 CB ARG A 36 9.408 -9.557 -8.061 1.00 12.14 C ATOM 567 CG ARG A 36 7.898 -9.321 -7.832 1.00 61.13 C ATOM 568 CD ARG A 36 7.072 -9.457 -9.122 1.00 23.11 C ATOM 569 NE ARG A 36 7.037 -10.842 -9.610 1.00 65.34 N ATOM 570 CZ ARG A 36 6.666 -11.225 -10.845 1.00 53.31 C ATOM 571 NH1 ARG A 36 6.305 -10.333 -11.764 1.00 4.40 N ATOM 572 NH2 ARG A 36 6.630 -12.518 -11.141 1.00 35.11 N ATOM 0 H ARG A 36 9.247 -10.349 -5.147 1.00 34.13 H new ATOM 0 HA ARG A 36 11.332 -9.540 -7.043 1.00 72.13 H new ATOM 0 HB2 ARG A 36 9.773 -8.823 -8.780 1.00 12.14 H new ATOM 0 HB3 ARG A 36 9.545 -10.540 -8.511 1.00 12.14 H new ATOM 0 HG2 ARG A 36 7.531 -10.034 -7.094 1.00 61.13 H new ATOM 0 HG3 ARG A 36 7.750 -8.325 -7.414 1.00 61.13 H new ATOM 0 HD2 ARG A 36 6.055 -9.111 -8.939 1.00 23.11 H new ATOM 0 HD3 ARG A 36 7.494 -8.812 -9.892 1.00 23.11 H new ATOM 0 HE ARG A 36 7.317 -11.575 -8.958 1.00 65.34 H new ATOM 0 HH11 ARG A 36 6.306 -9.338 -11.538 1.00 4.40 H new ATOM 0 HH12 ARG A 36 6.027 -10.644 -12.695 1.00 4.40 H new ATOM 0 HH21 ARG A 36 6.882 -13.210 -10.435 1.00 35.11 H new ATOM 0 HH22 ARG A 36 6.350 -12.820 -12.074 1.00 35.11 H new ATOM 586 N THR A 37 10.109 -7.012 -6.813 1.00 55.21 N ATOM 587 CA THR A 37 9.599 -5.692 -6.379 1.00 32.30 C ATOM 588 C THR A 37 8.825 -5.076 -7.559 1.00 62.32 C ATOM 589 O THR A 37 9.185 -5.310 -8.719 1.00 12.14 O ATOM 590 CB THR A 37 10.755 -4.723 -5.932 1.00 32.35 C ATOM 591 OG1 THR A 37 11.771 -4.681 -6.943 1.00 52.20 O ATOM 592 CG2 THR A 37 11.388 -5.120 -4.585 1.00 71.53 C ATOM 0 H THR A 37 10.509 -7.004 -7.751 1.00 55.21 H new ATOM 0 HA THR A 37 8.954 -5.831 -5.511 1.00 32.30 H new ATOM 0 HB THR A 37 10.306 -3.739 -5.798 1.00 32.35 H new ATOM 0 HG1 THR A 37 12.488 -4.075 -6.661 1.00 52.20 H new ATOM 0 HG21 THR A 37 12.178 -4.413 -4.332 1.00 71.53 H new ATOM 0 HG22 THR A 37 10.625 -5.106 -3.806 1.00 71.53 H new ATOM 0 HG23 THR A 37 11.809 -6.123 -4.662 1.00 71.53 H new ATOM 600 N MET A 38 7.771 -4.288 -7.267 1.00 4.33 N ATOM 601 CA MET A 38 6.938 -3.614 -8.295 1.00 15.22 C ATOM 602 C MET A 38 6.446 -2.276 -7.740 1.00 52.22 C ATOM 603 O MET A 38 6.339 -2.110 -6.521 1.00 13.10 O ATOM 604 CB MET A 38 5.711 -4.477 -8.753 1.00 1.12 C ATOM 605 CG MET A 38 6.056 -5.754 -9.552 1.00 22.11 C ATOM 606 SD MET A 38 4.843 -6.181 -10.830 1.00 32.34 S ATOM 607 CE MET A 38 3.303 -6.319 -9.923 1.00 32.12 C ATOM 0 H MET A 38 7.469 -4.098 -6.311 1.00 4.33 H new ATOM 0 HA MET A 38 7.564 -3.465 -9.175 1.00 15.22 H new ATOM 0 HB2 MET A 38 5.142 -4.765 -7.869 1.00 1.12 H new ATOM 0 HB3 MET A 38 5.058 -3.853 -9.363 1.00 1.12 H new ATOM 0 HG2 MET A 38 7.031 -5.623 -10.021 1.00 22.11 H new ATOM 0 HG3 MET A 38 6.146 -6.590 -8.858 1.00 22.11 H new ATOM 0 HE1 MET A 38 2.481 -6.471 -10.623 1.00 32.12 H new ATOM 0 HE2 MET A 38 3.358 -7.166 -9.239 1.00 32.12 H new ATOM 0 HE3 MET A 38 3.132 -5.404 -9.356 1.00 32.12 H new ATOM 617 N ASP A 39 6.141 -1.332 -8.642 1.00 32.15 N ATOM 618 CA ASP A 39 5.575 -0.025 -8.274 1.00 52.22 C ATOM 619 C ASP A 39 4.433 0.322 -9.230 1.00 50.44 C ATOM 620 O ASP A 39 4.377 -0.159 -10.373 1.00 63.52 O ATOM 621 CB ASP A 39 6.658 1.100 -8.274 1.00 50.03 C ATOM 622 CG ASP A 39 7.001 1.675 -9.667 1.00 5.01 C ATOM 623 OD1 ASP A 39 7.618 0.955 -10.480 1.00 33.33 O ATOM 624 OD2 ASP A 39 6.648 2.845 -9.949 1.00 52.25 O ATOM 0 H ASP A 39 6.279 -1.452 -9.645 1.00 32.15 H new ATOM 0 HA ASP A 39 5.190 -0.093 -7.257 1.00 52.22 H new ATOM 0 HB2 ASP A 39 6.315 1.914 -7.636 1.00 50.03 H new ATOM 0 HB3 ASP A 39 7.570 0.706 -7.825 1.00 50.03 H new ATOM 629 N PHE A 40 3.518 1.142 -8.721 1.00 45.40 N ATOM 630 CA PHE A 40 2.373 1.669 -9.453 1.00 2.21 C ATOM 631 C PHE A 40 2.284 3.169 -9.143 1.00 2.35 C ATOM 632 O PHE A 40 1.757 3.550 -8.098 1.00 42.30 O ATOM 633 CB PHE A 40 1.066 0.936 -9.041 1.00 71.04 C ATOM 634 CG PHE A 40 1.124 -0.578 -9.230 1.00 14.50 C ATOM 635 CD1 PHE A 40 1.176 -1.126 -10.506 1.00 55.34 C ATOM 636 CD2 PHE A 40 1.152 -1.450 -8.140 1.00 55.42 C ATOM 637 CE1 PHE A 40 1.231 -2.491 -10.695 1.00 20.22 C ATOM 638 CE2 PHE A 40 1.212 -2.819 -8.335 1.00 32.02 C ATOM 639 CZ PHE A 40 1.253 -3.338 -9.610 1.00 14.13 C ATOM 0 H PHE A 40 3.556 1.468 -7.755 1.00 45.40 H new ATOM 0 HA PHE A 40 2.498 1.509 -10.524 1.00 2.21 H new ATOM 0 HB2 PHE A 40 0.852 1.154 -7.995 1.00 71.04 H new ATOM 0 HB3 PHE A 40 0.237 1.334 -9.626 1.00 71.04 H new ATOM 0 HD1 PHE A 40 1.173 -0.471 -11.365 1.00 55.34 H new ATOM 0 HD2 PHE A 40 1.127 -1.053 -7.136 1.00 55.42 H new ATOM 0 HE1 PHE A 40 1.257 -2.896 -11.696 1.00 20.22 H new ATOM 0 HE2 PHE A 40 1.227 -3.483 -7.483 1.00 32.02 H new ATOM 0 HZ PHE A 40 1.302 -4.407 -9.758 1.00 14.13 H new ATOM 649 N PRO A 41 2.870 4.047 -10.015 1.00 14.13 N ATOM 650 CA PRO A 41 2.796 5.514 -9.825 1.00 71.24 C ATOM 651 C PRO A 41 1.390 6.062 -10.145 1.00 44.44 C ATOM 652 O PRO A 41 1.001 7.127 -9.663 1.00 70.33 O ATOM 653 CB PRO A 41 3.864 6.047 -10.805 1.00 71.43 C ATOM 654 CG PRO A 41 3.930 5.021 -11.896 1.00 72.40 C ATOM 655 CD PRO A 41 3.651 3.687 -11.239 1.00 34.11 C ATOM 0 HA PRO A 41 2.976 5.822 -8.795 1.00 71.24 H new ATOM 0 HB2 PRO A 41 3.587 7.025 -11.198 1.00 71.43 H new ATOM 0 HB3 PRO A 41 4.829 6.163 -10.313 1.00 71.43 H new ATOM 0 HG2 PRO A 41 3.197 5.233 -12.674 1.00 72.40 H new ATOM 0 HG3 PRO A 41 4.910 5.023 -12.373 1.00 72.40 H new ATOM 0 HD2 PRO A 41 3.083 3.029 -11.896 1.00 34.11 H new ATOM 0 HD3 PRO A 41 4.574 3.165 -10.985 1.00 34.11 H new ATOM 663 N THR A 42 0.633 5.292 -10.945 1.00 24.30 N ATOM 664 CA THR A 42 -0.694 5.669 -11.440 1.00 61.30 C ATOM 665 C THR A 42 -1.725 4.571 -11.080 1.00 61.42 C ATOM 666 O THR A 42 -1.368 3.379 -11.075 1.00 32.13 O ATOM 667 CB THR A 42 -0.650 5.863 -12.995 1.00 13.24 C ATOM 668 OG1 THR A 42 -0.205 4.651 -13.634 1.00 11.44 O ATOM 669 CG2 THR A 42 0.274 7.030 -13.403 1.00 34.24 C ATOM 0 H THR A 42 0.936 4.374 -11.270 1.00 24.30 H new ATOM 0 HA THR A 42 -0.992 6.607 -10.971 1.00 61.30 H new ATOM 0 HB THR A 42 -1.662 6.103 -13.322 1.00 13.24 H new ATOM 0 HG1 THR A 42 -0.183 4.782 -14.605 1.00 11.44 H new ATOM 0 HG21 THR A 42 0.276 7.130 -14.488 1.00 34.24 H new ATOM 0 HG22 THR A 42 -0.088 7.955 -12.954 1.00 34.24 H new ATOM 0 HG23 THR A 42 1.288 6.830 -13.055 1.00 34.24 H new ATOM 677 N PRO A 43 -3.013 4.944 -10.757 1.00 11.45 N ATOM 678 CA PRO A 43 -4.110 3.964 -10.555 1.00 62.24 C ATOM 679 C PRO A 43 -4.369 3.084 -11.805 1.00 11.55 C ATOM 680 O PRO A 43 -4.812 1.939 -11.671 1.00 14.21 O ATOM 681 CB PRO A 43 -5.341 4.848 -10.199 1.00 12.42 C ATOM 682 CG PRO A 43 -4.985 6.231 -10.656 1.00 34.22 C ATOM 683 CD PRO A 43 -3.486 6.335 -10.510 1.00 70.21 C ATOM 0 HA PRO A 43 -3.871 3.242 -9.775 1.00 62.24 H new ATOM 0 HB2 PRO A 43 -6.240 4.489 -10.699 1.00 12.42 H new ATOM 0 HB3 PRO A 43 -5.542 4.828 -9.128 1.00 12.42 H new ATOM 0 HG2 PRO A 43 -5.290 6.393 -11.690 1.00 34.22 H new ATOM 0 HG3 PRO A 43 -5.491 6.985 -10.053 1.00 34.22 H new ATOM 0 HD2 PRO A 43 -3.061 7.036 -11.228 1.00 70.21 H new ATOM 0 HD3 PRO A 43 -3.203 6.684 -9.517 1.00 70.21 H new ATOM 691 N ALA A 44 -4.049 3.622 -13.006 1.00 62.04 N ATOM 692 CA ALA A 44 -4.189 2.896 -14.289 1.00 42.45 C ATOM 693 C ALA A 44 -3.279 1.652 -14.335 1.00 71.45 C ATOM 694 O ALA A 44 -3.705 0.573 -14.758 1.00 12.04 O ATOM 695 CB ALA A 44 -3.872 3.830 -15.466 1.00 33.42 C ATOM 0 H ALA A 44 -3.687 4.570 -13.112 1.00 62.04 H new ATOM 0 HA ALA A 44 -5.222 2.558 -14.370 1.00 42.45 H new ATOM 0 HB1 ALA A 44 -3.979 3.284 -16.403 1.00 33.42 H new ATOM 0 HB2 ALA A 44 -4.562 4.674 -15.457 1.00 33.42 H new ATOM 0 HB3 ALA A 44 -2.850 4.197 -15.374 1.00 33.42 H new ATOM 701 N ALA A 45 -2.026 1.823 -13.870 1.00 70.42 N ATOM 702 CA ALA A 45 -1.004 0.749 -13.861 1.00 10.01 C ATOM 703 C ALA A 45 -1.319 -0.338 -12.812 1.00 33.33 C ATOM 704 O ALA A 45 -0.853 -1.476 -12.930 1.00 3.42 O ATOM 705 CB ALA A 45 0.390 1.351 -13.602 1.00 70.03 C ATOM 0 H ALA A 45 -1.690 2.708 -13.489 1.00 70.42 H new ATOM 0 HA ALA A 45 -1.017 0.271 -14.841 1.00 10.01 H new ATOM 0 HB1 ALA A 45 1.135 0.555 -13.597 1.00 70.03 H new ATOM 0 HB2 ALA A 45 0.629 2.067 -14.389 1.00 70.03 H new ATOM 0 HB3 ALA A 45 0.394 1.858 -12.637 1.00 70.03 H new ATOM 711 N ALA A 46 -2.157 0.011 -11.819 1.00 2.21 N ATOM 712 CA ALA A 46 -2.441 -0.832 -10.630 1.00 1.52 C ATOM 713 C ALA A 46 -3.257 -2.111 -10.936 1.00 31.14 C ATOM 714 O ALA A 46 -3.458 -2.932 -10.041 1.00 32.41 O ATOM 715 CB ALA A 46 -3.139 0.023 -9.565 1.00 72.41 C ATOM 0 H ALA A 46 -2.665 0.896 -11.814 1.00 2.21 H new ATOM 0 HA ALA A 46 -1.481 -1.194 -10.261 1.00 1.52 H new ATOM 0 HB1 ALA A 46 -3.351 -0.589 -8.688 1.00 72.41 H new ATOM 0 HB2 ALA A 46 -2.490 0.851 -9.281 1.00 72.41 H new ATOM 0 HB3 ALA A 46 -4.073 0.415 -9.968 1.00 72.41 H new ATOM 721 N PHE A 47 -3.683 -2.295 -12.203 1.00 51.24 N ATOM 722 CA PHE A 47 -4.519 -3.447 -12.639 1.00 64.40 C ATOM 723 C PHE A 47 -3.820 -4.824 -12.508 1.00 52.33 C ATOM 724 O PHE A 47 -4.432 -5.858 -12.793 1.00 41.34 O ATOM 725 CB PHE A 47 -5.049 -3.216 -14.091 1.00 21.45 C ATOM 726 CG PHE A 47 -4.002 -3.307 -15.216 1.00 4.32 C ATOM 727 CD1 PHE A 47 -2.846 -2.529 -15.201 1.00 3.33 C ATOM 728 CD2 PHE A 47 -4.186 -4.172 -16.298 1.00 31.52 C ATOM 729 CE1 PHE A 47 -1.909 -2.612 -16.215 1.00 0.30 C ATOM 730 CE2 PHE A 47 -3.248 -4.256 -17.315 1.00 43.13 C ATOM 731 CZ PHE A 47 -2.109 -3.476 -17.270 1.00 72.22 C ATOM 0 H PHE A 47 -3.459 -1.649 -12.960 1.00 51.24 H new ATOM 0 HA PHE A 47 -5.362 -3.488 -11.949 1.00 64.40 H new ATOM 0 HB2 PHE A 47 -5.832 -3.947 -14.291 1.00 21.45 H new ATOM 0 HB3 PHE A 47 -5.514 -2.231 -14.134 1.00 21.45 H new ATOM 0 HD1 PHE A 47 -2.678 -1.847 -14.381 1.00 3.33 H new ATOM 0 HD2 PHE A 47 -5.074 -4.785 -16.343 1.00 31.52 H new ATOM 0 HE1 PHE A 47 -1.020 -1.999 -16.180 1.00 0.30 H new ATOM 0 HE2 PHE A 47 -3.408 -4.931 -18.143 1.00 43.13 H new ATOM 0 HZ PHE A 47 -1.376 -3.543 -18.060 1.00 72.22 H new ATOM 741 N ARG A 48 -2.532 -4.834 -12.120 1.00 34.24 N ATOM 742 CA ARG A 48 -1.760 -6.078 -11.911 1.00 53.23 C ATOM 743 C ARG A 48 -1.961 -6.654 -10.499 1.00 24.13 C ATOM 744 O ARG A 48 -1.914 -7.878 -10.301 1.00 11.11 O ATOM 745 CB ARG A 48 -0.262 -5.803 -12.197 1.00 1.51 C ATOM 746 CG ARG A 48 0.054 -5.181 -13.584 1.00 74.54 C ATOM 747 CD ARG A 48 -0.315 -6.083 -14.776 1.00 51.41 C ATOM 748 NE ARG A 48 -1.772 -6.288 -14.892 1.00 14.50 N ATOM 749 CZ ARG A 48 -2.381 -7.271 -15.578 1.00 72.40 C ATOM 750 NH1 ARG A 48 -1.692 -8.156 -16.270 1.00 52.03 N ATOM 751 NH2 ARG A 48 -3.700 -7.391 -15.512 1.00 60.35 N ATOM 0 H ARG A 48 -1.996 -3.984 -11.942 1.00 34.24 H new ATOM 0 HA ARG A 48 -2.128 -6.833 -12.605 1.00 53.23 H new ATOM 0 HB2 ARG A 48 0.120 -5.136 -11.424 1.00 1.51 H new ATOM 0 HB3 ARG A 48 0.285 -6.742 -12.107 1.00 1.51 H new ATOM 0 HG2 ARG A 48 -0.482 -4.236 -13.677 1.00 74.54 H new ATOM 0 HG3 ARG A 48 1.118 -4.950 -13.633 1.00 74.54 H new ATOM 0 HD2 ARG A 48 0.062 -5.637 -15.697 1.00 51.41 H new ATOM 0 HD3 ARG A 48 0.178 -7.049 -14.665 1.00 51.41 H new ATOM 0 HE ARG A 48 -2.373 -5.622 -14.407 1.00 14.50 H new ATOM 0 HH11 ARG A 48 -0.674 -8.104 -16.293 1.00 52.03 H new ATOM 0 HH12 ARG A 48 -2.177 -8.893 -16.782 1.00 52.03 H new ATOM 0 HH21 ARG A 48 -4.243 -6.741 -14.944 1.00 60.35 H new ATOM 0 HH22 ARG A 48 -4.171 -8.134 -16.029 1.00 60.35 H new ATOM 765 N SER A 49 -2.187 -5.759 -9.525 1.00 75.34 N ATOM 766 CA SER A 49 -2.396 -6.123 -8.113 1.00 54.43 C ATOM 767 C SER A 49 -3.809 -5.685 -7.670 1.00 63.12 C ATOM 768 O SER A 49 -4.171 -4.515 -7.844 1.00 12.21 O ATOM 769 CB SER A 49 -1.313 -5.459 -7.223 1.00 24.33 C ATOM 770 OG SER A 49 -1.575 -5.655 -5.837 1.00 12.32 O ATOM 0 H SER A 49 -2.230 -4.754 -9.695 1.00 75.34 H new ATOM 0 HA SER A 49 -2.312 -7.204 -8.003 1.00 54.43 H new ATOM 0 HB2 SER A 49 -0.335 -5.873 -7.470 1.00 24.33 H new ATOM 0 HB3 SER A 49 -1.271 -4.391 -7.438 1.00 24.33 H new ATOM 0 HG SER A 49 -1.538 -6.612 -5.629 1.00 12.32 H new ATOM 776 N PRO A 50 -4.656 -6.615 -7.103 1.00 72.03 N ATOM 777 CA PRO A 50 -5.978 -6.251 -6.540 1.00 42.21 C ATOM 778 C PRO A 50 -5.833 -5.262 -5.381 1.00 52.43 C ATOM 779 O PRO A 50 -6.563 -4.279 -5.304 1.00 55.11 O ATOM 780 CB PRO A 50 -6.579 -7.596 -6.059 1.00 51.40 C ATOM 781 CG PRO A 50 -5.784 -8.649 -6.763 1.00 65.52 C ATOM 782 CD PRO A 50 -4.400 -8.074 -6.963 1.00 1.41 C ATOM 0 HA PRO A 50 -6.615 -5.754 -7.272 1.00 42.21 H new ATOM 0 HB2 PRO A 50 -6.500 -7.699 -4.977 1.00 51.40 H new ATOM 0 HB3 PRO A 50 -7.637 -7.667 -6.309 1.00 51.40 H new ATOM 0 HG2 PRO A 50 -5.743 -9.565 -6.173 1.00 65.52 H new ATOM 0 HG3 PRO A 50 -6.240 -8.906 -7.719 1.00 65.52 H new ATOM 0 HD2 PRO A 50 -3.748 -8.289 -6.116 1.00 1.41 H new ATOM 0 HD3 PRO A 50 -3.917 -8.485 -7.850 1.00 1.41 H new ATOM 790 N LEU A 51 -4.809 -5.511 -4.539 1.00 50.43 N ATOM 791 CA LEU A 51 -4.537 -4.709 -3.345 1.00 61.10 C ATOM 792 C LEU A 51 -4.163 -3.271 -3.733 1.00 63.22 C ATOM 793 O LEU A 51 -4.621 -2.332 -3.096 1.00 54.22 O ATOM 794 CB LEU A 51 -3.421 -5.367 -2.494 1.00 50.11 C ATOM 795 CG LEU A 51 -3.083 -4.686 -1.128 1.00 72.52 C ATOM 796 CD1 LEU A 51 -4.342 -4.490 -0.248 1.00 72.43 C ATOM 797 CD2 LEU A 51 -1.994 -5.489 -0.376 1.00 21.13 C ATOM 0 H LEU A 51 -4.150 -6.278 -4.675 1.00 50.43 H new ATOM 0 HA LEU A 51 -5.443 -4.667 -2.740 1.00 61.10 H new ATOM 0 HB2 LEU A 51 -3.708 -6.400 -2.297 1.00 50.11 H new ATOM 0 HB3 LEU A 51 -2.511 -5.398 -3.093 1.00 50.11 H new ATOM 0 HG LEU A 51 -2.692 -3.692 -1.345 1.00 72.52 H new ATOM 0 HD11 LEU A 51 -4.059 -4.014 0.691 1.00 72.43 H new ATOM 0 HD12 LEU A 51 -5.059 -3.859 -0.774 1.00 72.43 H new ATOM 0 HD13 LEU A 51 -4.796 -5.459 -0.041 1.00 72.43 H new ATOM 0 HD21 LEU A 51 -1.771 -5.000 0.573 1.00 21.13 H new ATOM 0 HD22 LEU A 51 -2.353 -6.501 -0.187 1.00 21.13 H new ATOM 0 HD23 LEU A 51 -1.090 -5.532 -0.983 1.00 21.13 H new ATOM 809 N ALA A 52 -3.380 -3.129 -4.828 1.00 42.52 N ATOM 810 CA ALA A 52 -2.964 -1.809 -5.359 1.00 14.54 C ATOM 811 C ALA A 52 -4.187 -0.978 -5.765 1.00 34.35 C ATOM 812 O ALA A 52 -4.305 0.186 -5.389 1.00 74.44 O ATOM 813 CB ALA A 52 -2.033 -1.971 -6.560 1.00 14.12 C ATOM 0 H ALA A 52 -3.021 -3.919 -5.365 1.00 42.52 H new ATOM 0 HA ALA A 52 -2.427 -1.289 -4.566 1.00 14.54 H new ATOM 0 HB1 ALA A 52 -1.743 -0.988 -6.930 1.00 14.12 H new ATOM 0 HB2 ALA A 52 -1.143 -2.523 -6.258 1.00 14.12 H new ATOM 0 HB3 ALA A 52 -2.549 -2.518 -7.349 1.00 14.12 H new ATOM 819 N ARG A 53 -5.100 -1.626 -6.513 1.00 25.34 N ATOM 820 CA ARG A 53 -6.373 -1.020 -6.953 1.00 11.13 C ATOM 821 C ARG A 53 -7.235 -0.579 -5.753 1.00 25.44 C ATOM 822 O ARG A 53 -7.813 0.510 -5.778 1.00 15.42 O ATOM 823 CB ARG A 53 -7.154 -2.016 -7.857 1.00 54.20 C ATOM 824 CG ARG A 53 -6.646 -2.096 -9.314 1.00 35.53 C ATOM 825 CD ARG A 53 -7.226 -3.291 -10.102 1.00 2.14 C ATOM 826 NE ARG A 53 -6.602 -4.576 -9.708 1.00 13.24 N ATOM 827 CZ ARG A 53 -6.821 -5.769 -10.310 1.00 34.11 C ATOM 828 NH1 ARG A 53 -7.679 -5.873 -11.327 1.00 10.42 N ATOM 829 NH2 ARG A 53 -6.158 -6.848 -9.887 1.00 74.31 N ATOM 0 H ARG A 53 -4.976 -2.587 -6.831 1.00 25.34 H new ATOM 0 HA ARG A 53 -6.140 -0.126 -7.532 1.00 11.13 H new ATOM 0 HB2 ARG A 53 -7.100 -3.010 -7.412 1.00 54.20 H new ATOM 0 HB3 ARG A 53 -8.205 -1.729 -7.868 1.00 54.20 H new ATOM 0 HG2 ARG A 53 -6.902 -1.171 -9.831 1.00 35.53 H new ATOM 0 HG3 ARG A 53 -5.558 -2.168 -9.308 1.00 35.53 H new ATOM 0 HD2 ARG A 53 -8.302 -3.346 -9.936 1.00 2.14 H new ATOM 0 HD3 ARG A 53 -7.076 -3.128 -11.169 1.00 2.14 H new ATOM 0 HE ARG A 53 -5.955 -4.561 -8.919 1.00 13.24 H new ATOM 0 HH11 ARG A 53 -8.179 -5.048 -11.659 1.00 10.42 H new ATOM 0 HH12 ARG A 53 -7.835 -6.777 -11.772 1.00 10.42 H new ATOM 0 HH21 ARG A 53 -5.494 -6.769 -9.117 1.00 74.31 H new ATOM 0 HH22 ARG A 53 -6.316 -7.751 -10.334 1.00 74.31 H new ATOM 843 N GLN A 54 -7.275 -1.422 -4.705 1.00 23.24 N ATOM 844 CA GLN A 54 -8.041 -1.145 -3.468 1.00 34.12 C ATOM 845 C GLN A 54 -7.444 0.059 -2.710 1.00 72.40 C ATOM 846 O GLN A 54 -8.184 0.871 -2.144 1.00 65.01 O ATOM 847 CB GLN A 54 -8.039 -2.384 -2.546 1.00 73.22 C ATOM 848 CG GLN A 54 -8.703 -3.652 -3.119 1.00 65.05 C ATOM 849 CD GLN A 54 -8.560 -4.901 -2.229 1.00 45.43 C ATOM 850 OE1 GLN A 54 -7.481 -4.988 -1.459 1.00 60.03 O flip ATOM 851 NE2 GLN A 54 -9.412 -5.783 -2.236 1.00 21.23 N flip ATOM 0 H GLN A 54 -6.780 -2.313 -4.688 1.00 23.24 H new ATOM 0 HA GLN A 54 -9.066 -0.909 -3.754 1.00 34.12 H new ATOM 0 HB2 GLN A 54 -7.006 -2.622 -2.292 1.00 73.22 H new ATOM 0 HB3 GLN A 54 -8.544 -2.122 -1.616 1.00 73.22 H new ATOM 0 HG2 GLN A 54 -9.763 -3.453 -3.277 1.00 65.05 H new ATOM 0 HG3 GLN A 54 -8.269 -3.865 -4.096 1.00 65.05 H new ATOM 0 HE21 GLN A 54 -10.233 -5.695 -2.835 1.00 21.23 H new ATOM 0 HE22 GLN A 54 -9.300 -6.605 -1.642 1.00 21.23 H new ATOM 860 N LEU A 55 -6.099 0.149 -2.713 1.00 51.02 N ATOM 861 CA LEU A 55 -5.361 1.240 -2.052 1.00 24.01 C ATOM 862 C LEU A 55 -5.537 2.566 -2.818 1.00 0.23 C ATOM 863 O LEU A 55 -5.639 3.618 -2.212 1.00 73.54 O ATOM 864 CB LEU A 55 -3.856 0.877 -1.888 1.00 51.01 C ATOM 865 CG LEU A 55 -3.530 -0.330 -0.944 1.00 70.32 C ATOM 866 CD1 LEU A 55 -2.018 -0.662 -0.954 1.00 20.41 C ATOM 867 CD2 LEU A 55 -4.047 -0.084 0.492 1.00 64.01 C ATOM 0 H LEU A 55 -5.496 -0.533 -3.174 1.00 51.02 H new ATOM 0 HA LEU A 55 -5.779 1.374 -1.054 1.00 24.01 H new ATOM 0 HB2 LEU A 55 -3.448 0.659 -2.875 1.00 51.01 H new ATOM 0 HB3 LEU A 55 -3.331 1.756 -1.513 1.00 51.01 H new ATOM 0 HG LEU A 55 -4.058 -1.200 -1.333 1.00 70.32 H new ATOM 0 HD11 LEU A 55 -1.826 -1.504 -0.289 1.00 20.41 H new ATOM 0 HD12 LEU A 55 -1.709 -0.922 -1.967 1.00 20.41 H new ATOM 0 HD13 LEU A 55 -1.453 0.206 -0.614 1.00 20.41 H new ATOM 0 HD21 LEU A 55 -3.803 -0.942 1.119 1.00 64.01 H new ATOM 0 HD22 LEU A 55 -3.575 0.810 0.901 1.00 64.01 H new ATOM 0 HD23 LEU A 55 -5.128 0.054 0.471 1.00 64.01 H new ATOM 879 N PHE A 56 -5.617 2.494 -4.157 1.00 14.34 N ATOM 880 CA PHE A 56 -5.878 3.681 -5.012 1.00 14.50 C ATOM 881 C PHE A 56 -7.344 4.159 -4.903 1.00 53.11 C ATOM 882 O PHE A 56 -7.659 5.279 -5.308 1.00 25.12 O ATOM 883 CB PHE A 56 -5.488 3.396 -6.489 1.00 11.41 C ATOM 884 CG PHE A 56 -3.998 3.578 -6.783 1.00 62.24 C ATOM 885 CD1 PHE A 56 -3.441 4.855 -6.803 1.00 74.40 C ATOM 886 CD2 PHE A 56 -3.165 2.499 -7.057 1.00 44.21 C ATOM 887 CE1 PHE A 56 -2.106 5.039 -7.087 1.00 71.35 C ATOM 888 CE2 PHE A 56 -1.824 2.686 -7.340 1.00 30.11 C ATOM 889 CZ PHE A 56 -1.298 3.957 -7.354 1.00 20.14 C ATOM 0 H PHE A 56 -5.505 1.625 -4.680 1.00 14.34 H new ATOM 0 HA PHE A 56 -5.249 4.492 -4.645 1.00 14.50 H new ATOM 0 HB2 PHE A 56 -5.776 2.375 -6.740 1.00 11.41 H new ATOM 0 HB3 PHE A 56 -6.060 4.057 -7.140 1.00 11.41 H new ATOM 0 HD1 PHE A 56 -4.064 5.712 -6.593 1.00 74.40 H new ATOM 0 HD2 PHE A 56 -3.572 1.499 -7.049 1.00 44.21 H new ATOM 0 HE1 PHE A 56 -1.691 6.036 -7.100 1.00 71.35 H new ATOM 0 HE2 PHE A 56 -1.191 1.836 -7.549 1.00 30.11 H new ATOM 0 HZ PHE A 56 -0.251 4.106 -7.574 1.00 20.14 H new ATOM 899 N ARG A 57 -8.227 3.298 -4.370 1.00 74.35 N ATOM 900 CA ARG A 57 -9.618 3.671 -4.028 1.00 21.43 C ATOM 901 C ARG A 57 -9.683 4.465 -2.698 1.00 61.41 C ATOM 902 O ARG A 57 -10.718 5.061 -2.376 1.00 72.12 O ATOM 903 CB ARG A 57 -10.495 2.403 -3.941 1.00 44.11 C ATOM 904 CG ARG A 57 -10.731 1.682 -5.286 1.00 22.33 C ATOM 905 CD ARG A 57 -11.455 0.336 -5.092 1.00 40.00 C ATOM 906 NE ARG A 57 -12.742 0.504 -4.378 1.00 24.51 N ATOM 907 CZ ARG A 57 -13.257 -0.345 -3.468 1.00 74.21 C ATOM 908 NH1 ARG A 57 -12.606 -1.469 -3.137 1.00 43.43 N ATOM 909 NH2 ARG A 57 -14.410 -0.044 -2.874 1.00 72.21 N ATOM 0 H ARG A 57 -8.001 2.325 -4.163 1.00 74.35 H new ATOM 0 HA ARG A 57 -9.999 4.319 -4.817 1.00 21.43 H new ATOM 0 HB2 ARG A 57 -10.029 1.703 -3.247 1.00 44.11 H new ATOM 0 HB3 ARG A 57 -11.461 2.676 -3.517 1.00 44.11 H new ATOM 0 HG2 ARG A 57 -11.321 2.321 -5.943 1.00 22.33 H new ATOM 0 HG3 ARG A 57 -9.775 1.513 -5.781 1.00 22.33 H new ATOM 0 HD2 ARG A 57 -11.635 -0.124 -6.064 1.00 40.00 H new ATOM 0 HD3 ARG A 57 -10.814 -0.345 -4.532 1.00 40.00 H new ATOM 0 HE ARG A 57 -13.288 1.338 -4.595 1.00 24.51 H new ATOM 0 HH11 ARG A 57 -11.712 -1.688 -3.576 1.00 43.43 H new ATOM 0 HH12 ARG A 57 -13.005 -2.105 -2.447 1.00 43.43 H new ATOM 0 HH21 ARG A 57 -14.894 0.822 -3.110 1.00 72.21 H new ATOM 0 HH22 ARG A 57 -14.809 -0.680 -2.183 1.00 72.21 H new ATOM 923 N ILE A 58 -8.570 4.465 -1.948 1.00 42.00 N ATOM 924 CA ILE A 58 -8.435 5.201 -0.683 1.00 31.11 C ATOM 925 C ILE A 58 -8.012 6.642 -1.003 1.00 72.03 C ATOM 926 O ILE A 58 -6.975 6.861 -1.649 1.00 74.43 O ATOM 927 CB ILE A 58 -7.388 4.505 0.273 1.00 53.03 C ATOM 928 CG1 ILE A 58 -7.804 3.016 0.520 1.00 34.44 C ATOM 929 CG2 ILE A 58 -7.205 5.286 1.605 1.00 13.12 C ATOM 930 CD1 ILE A 58 -6.877 2.216 1.409 1.00 62.30 C ATOM 0 H ILE A 58 -7.730 3.948 -2.206 1.00 42.00 H new ATOM 0 HA ILE A 58 -9.391 5.204 -0.159 1.00 31.11 H new ATOM 0 HB ILE A 58 -6.415 4.515 -0.218 1.00 53.03 H new ATOM 0 HG12 ILE A 58 -8.801 3.005 0.961 1.00 34.44 H new ATOM 0 HG13 ILE A 58 -7.877 2.513 -0.444 1.00 34.44 H new ATOM 0 HG21 ILE A 58 -6.476 4.771 2.231 1.00 13.12 H new ATOM 0 HG22 ILE A 58 -6.851 6.294 1.390 1.00 13.12 H new ATOM 0 HG23 ILE A 58 -8.159 5.341 2.129 1.00 13.12 H new ATOM 0 HD11 ILE A 58 -7.259 1.200 1.513 1.00 62.30 H new ATOM 0 HD12 ILE A 58 -5.882 2.186 0.964 1.00 62.30 H new ATOM 0 HD13 ILE A 58 -6.821 2.685 2.391 1.00 62.30 H new ATOM 942 N GLU A 59 -8.852 7.597 -0.573 1.00 12.03 N ATOM 943 CA GLU A 59 -8.636 9.035 -0.763 1.00 63.12 C ATOM 944 C GLU A 59 -7.360 9.475 -0.026 1.00 72.31 C ATOM 945 O GLU A 59 -7.298 9.421 1.206 1.00 1.51 O ATOM 946 CB GLU A 59 -9.878 9.819 -0.260 1.00 23.55 C ATOM 947 CG GLU A 59 -11.208 9.417 -0.937 1.00 73.40 C ATOM 948 CD GLU A 59 -12.421 10.211 -0.425 1.00 13.10 C ATOM 949 OE1 GLU A 59 -12.836 10.000 0.734 1.00 1.45 O ATOM 950 OE2 GLU A 59 -12.971 11.053 -1.173 1.00 23.41 O ATOM 0 H GLU A 59 -9.716 7.384 -0.074 1.00 12.03 H new ATOM 0 HA GLU A 59 -8.502 9.250 -1.823 1.00 63.12 H new ATOM 0 HB2 GLU A 59 -9.974 9.672 0.816 1.00 23.55 H new ATOM 0 HB3 GLU A 59 -9.710 10.884 -0.422 1.00 23.55 H new ATOM 0 HG2 GLU A 59 -11.117 9.562 -2.013 1.00 73.40 H new ATOM 0 HG3 GLU A 59 -11.384 8.354 -0.772 1.00 73.40 H new ATOM 957 N GLY A 60 -6.339 9.862 -0.800 1.00 54.12 N ATOM 958 CA GLY A 60 -5.051 10.274 -0.256 1.00 21.40 C ATOM 959 C GLY A 60 -3.875 9.587 -0.932 1.00 12.11 C ATOM 960 O GLY A 60 -2.751 10.099 -0.886 1.00 22.23 O ATOM 0 H GLY A 60 -6.388 9.896 -1.818 1.00 54.12 H new ATOM 0 HA2 GLY A 60 -4.945 11.353 -0.364 1.00 21.40 H new ATOM 0 HA3 GLY A 60 -5.027 10.057 0.812 1.00 21.40 H new ATOM 964 N VAL A 61 -4.125 8.421 -1.554 1.00 12.14 N ATOM 965 CA VAL A 61 -3.070 7.591 -2.164 1.00 52.25 C ATOM 966 C VAL A 61 -2.733 8.073 -3.594 1.00 14.32 C ATOM 967 O VAL A 61 -3.600 8.096 -4.478 1.00 41.24 O ATOM 968 CB VAL A 61 -3.494 6.079 -2.166 1.00 22.40 C ATOM 969 CG1 VAL A 61 -2.472 5.191 -2.923 1.00 34.14 C ATOM 970 CG2 VAL A 61 -3.716 5.586 -0.713 1.00 71.42 C ATOM 0 H VAL A 61 -5.062 8.028 -1.648 1.00 12.14 H new ATOM 0 HA VAL A 61 -2.168 7.695 -1.562 1.00 52.25 H new ATOM 0 HB VAL A 61 -4.437 5.992 -2.706 1.00 22.40 H new ATOM 0 HG11 VAL A 61 -2.804 4.153 -2.900 1.00 34.14 H new ATOM 0 HG12 VAL A 61 -2.396 5.525 -3.958 1.00 34.14 H new ATOM 0 HG13 VAL A 61 -1.496 5.270 -2.444 1.00 34.14 H new ATOM 0 HG21 VAL A 61 -4.010 4.536 -0.726 1.00 71.42 H new ATOM 0 HG22 VAL A 61 -2.792 5.697 -0.146 1.00 71.42 H new ATOM 0 HG23 VAL A 61 -4.503 6.177 -0.244 1.00 71.42 H new ATOM 980 N LYS A 62 -1.464 8.462 -3.787 1.00 22.24 N ATOM 981 CA LYS A 62 -0.925 8.938 -5.079 1.00 32.33 C ATOM 982 C LYS A 62 -0.226 7.797 -5.824 1.00 63.25 C ATOM 983 O LYS A 62 -0.320 7.686 -7.053 1.00 4.14 O ATOM 984 CB LYS A 62 0.095 10.078 -4.829 1.00 14.14 C ATOM 985 CG LYS A 62 0.596 10.827 -6.086 1.00 54.43 C ATOM 986 CD LYS A 62 -0.532 11.598 -6.803 1.00 63.22 C ATOM 987 CE LYS A 62 -0.039 12.356 -8.042 1.00 53.12 C ATOM 988 NZ LYS A 62 0.478 11.448 -9.095 1.00 14.42 N ATOM 0 H LYS A 62 -0.769 8.456 -3.041 1.00 22.24 H new ATOM 0 HA LYS A 62 -1.754 9.304 -5.685 1.00 32.33 H new ATOM 0 HB2 LYS A 62 -0.360 10.804 -4.155 1.00 14.14 H new ATOM 0 HB3 LYS A 62 0.958 9.659 -4.312 1.00 14.14 H new ATOM 0 HG2 LYS A 62 1.383 11.524 -5.800 1.00 54.43 H new ATOM 0 HG3 LYS A 62 1.040 10.112 -6.778 1.00 54.43 H new ATOM 0 HD2 LYS A 62 -1.314 10.898 -7.098 1.00 63.22 H new ATOM 0 HD3 LYS A 62 -0.983 12.304 -6.106 1.00 63.22 H new ATOM 0 HE2 LYS A 62 -0.857 12.951 -8.449 1.00 53.12 H new ATOM 0 HE3 LYS A 62 0.747 13.052 -7.749 1.00 53.12 H new ATOM 0 HZ1 LYS A 62 0.720 12.001 -9.942 1.00 14.42 H new ATOM 0 HZ2 LYS A 62 1.328 10.960 -8.746 1.00 14.42 H new ATOM 0 HZ3 LYS A 62 -0.250 10.746 -9.336 1.00 14.42 H new ATOM 1002 N SER A 63 0.500 6.967 -5.055 1.00 11.24 N ATOM 1003 CA SER A 63 1.336 5.880 -5.585 1.00 71.13 C ATOM 1004 C SER A 63 1.406 4.731 -4.567 1.00 31.25 C ATOM 1005 O SER A 63 1.446 4.967 -3.352 1.00 1.42 O ATOM 1006 CB SER A 63 2.760 6.403 -5.908 1.00 53.33 C ATOM 1007 OG SER A 63 2.719 7.443 -6.880 1.00 44.41 O ATOM 0 H SER A 63 0.522 7.034 -4.037 1.00 11.24 H new ATOM 0 HA SER A 63 0.889 5.508 -6.507 1.00 71.13 H new ATOM 0 HB2 SER A 63 3.230 6.772 -4.996 1.00 53.33 H new ATOM 0 HB3 SER A 63 3.377 5.583 -6.275 1.00 53.33 H new ATOM 0 HG SER A 63 3.630 7.755 -7.064 1.00 44.41 H new ATOM 1013 N VAL A 64 1.397 3.491 -5.079 1.00 14.14 N ATOM 1014 CA VAL A 64 1.567 2.266 -4.280 1.00 2.44 C ATOM 1015 C VAL A 64 2.828 1.541 -4.762 1.00 11.05 C ATOM 1016 O VAL A 64 2.966 1.253 -5.949 1.00 11.14 O ATOM 1017 CB VAL A 64 0.324 1.295 -4.400 1.00 44.23 C ATOM 1018 CG1 VAL A 64 0.575 -0.045 -3.664 1.00 50.30 C ATOM 1019 CG2 VAL A 64 -0.965 1.977 -3.888 1.00 1.14 C ATOM 0 H VAL A 64 1.270 3.307 -6.074 1.00 14.14 H new ATOM 0 HA VAL A 64 1.655 2.552 -3.232 1.00 2.44 H new ATOM 0 HB VAL A 64 0.188 1.067 -5.457 1.00 44.23 H new ATOM 0 HG11 VAL A 64 -0.300 -0.687 -3.768 1.00 50.30 H new ATOM 0 HG12 VAL A 64 1.443 -0.542 -4.098 1.00 50.30 H new ATOM 0 HG13 VAL A 64 0.759 0.149 -2.607 1.00 50.30 H new ATOM 0 HG21 VAL A 64 -1.804 1.287 -3.982 1.00 1.14 H new ATOM 0 HG22 VAL A 64 -0.839 2.254 -2.841 1.00 1.14 H new ATOM 0 HG23 VAL A 64 -1.163 2.871 -4.479 1.00 1.14 H new ATOM 1029 N PHE A 65 3.725 1.227 -3.830 1.00 31.44 N ATOM 1030 CA PHE A 65 4.963 0.491 -4.107 1.00 61.24 C ATOM 1031 C PHE A 65 4.961 -0.773 -3.252 1.00 51.10 C ATOM 1032 O PHE A 65 4.743 -0.703 -2.046 1.00 23.21 O ATOM 1033 CB PHE A 65 6.208 1.370 -3.787 1.00 4.42 C ATOM 1034 CG PHE A 65 7.547 0.609 -3.829 1.00 45.10 C ATOM 1035 CD1 PHE A 65 8.058 0.125 -5.030 1.00 43.14 C ATOM 1036 CD2 PHE A 65 8.273 0.351 -2.661 1.00 2.12 C ATOM 1037 CE1 PHE A 65 9.249 -0.578 -5.069 1.00 43.31 C ATOM 1038 CE2 PHE A 65 9.460 -0.352 -2.701 1.00 74.03 C ATOM 1039 CZ PHE A 65 9.949 -0.818 -3.904 1.00 14.11 C ATOM 0 H PHE A 65 3.614 1.478 -2.848 1.00 31.44 H new ATOM 0 HA PHE A 65 5.014 0.228 -5.163 1.00 61.24 H new ATOM 0 HB2 PHE A 65 6.249 2.194 -4.499 1.00 4.42 H new ATOM 0 HB3 PHE A 65 6.084 1.809 -2.797 1.00 4.42 H new ATOM 0 HD1 PHE A 65 7.515 0.301 -5.947 1.00 43.14 H new ATOM 0 HD2 PHE A 65 7.898 0.708 -1.713 1.00 2.12 H new ATOM 0 HE1 PHE A 65 9.631 -0.939 -6.012 1.00 43.31 H new ATOM 0 HE2 PHE A 65 10.007 -0.538 -1.789 1.00 74.03 H new ATOM 0 HZ PHE A 65 10.877 -1.369 -3.934 1.00 14.11 H new ATOM 1049 N PHE A 66 5.178 -1.924 -3.884 1.00 71.54 N ATOM 1050 CA PHE A 66 5.337 -3.199 -3.183 1.00 43.44 C ATOM 1051 C PHE A 66 6.824 -3.563 -3.115 1.00 61.24 C ATOM 1052 O PHE A 66 7.493 -3.743 -4.147 1.00 14.23 O ATOM 1053 CB PHE A 66 4.523 -4.304 -3.881 1.00 52.10 C ATOM 1054 CG PHE A 66 3.015 -4.098 -3.814 1.00 20.44 C ATOM 1055 CD1 PHE A 66 2.334 -4.237 -2.605 1.00 71.22 C ATOM 1056 CD2 PHE A 66 2.284 -3.763 -4.946 1.00 44.32 C ATOM 1057 CE1 PHE A 66 0.965 -4.050 -2.535 1.00 2.24 C ATOM 1058 CE2 PHE A 66 0.917 -3.575 -4.874 1.00 34.14 C ATOM 1059 CZ PHE A 66 0.255 -3.719 -3.670 1.00 22.51 C ATOM 0 H PHE A 66 5.249 -2.001 -4.899 1.00 71.54 H new ATOM 0 HA PHE A 66 4.956 -3.103 -2.166 1.00 43.44 H new ATOM 0 HB2 PHE A 66 4.826 -4.359 -4.927 1.00 52.10 H new ATOM 0 HB3 PHE A 66 4.769 -5.264 -3.427 1.00 52.10 H new ATOM 0 HD1 PHE A 66 2.883 -4.494 -1.711 1.00 71.22 H new ATOM 0 HD2 PHE A 66 2.790 -3.648 -5.893 1.00 44.32 H new ATOM 0 HE1 PHE A 66 0.452 -4.163 -1.591 1.00 2.24 H new ATOM 0 HE2 PHE A 66 0.363 -3.314 -5.764 1.00 34.14 H new ATOM 0 HZ PHE A 66 -0.814 -3.573 -3.618 1.00 22.51 H new ATOM 1069 N GLY A 67 7.311 -3.642 -1.881 1.00 13.30 N ATOM 1070 CA GLY A 67 8.693 -3.973 -1.560 1.00 22.13 C ATOM 1071 C GLY A 67 8.824 -5.425 -1.093 1.00 73.30 C ATOM 1072 O GLY A 67 7.813 -6.138 -1.029 1.00 42.24 O ATOM 0 H GLY A 67 6.738 -3.473 -1.054 1.00 13.30 H new ATOM 0 HA2 GLY A 67 9.320 -3.813 -2.437 1.00 22.13 H new ATOM 0 HA3 GLY A 67 9.058 -3.304 -0.781 1.00 22.13 H new ATOM 1076 N PRO A 68 10.062 -5.905 -0.760 1.00 3.50 N ATOM 1077 CA PRO A 68 10.301 -7.309 -0.338 1.00 12.32 C ATOM 1078 C PRO A 68 9.512 -7.711 0.932 1.00 54.03 C ATOM 1079 O PRO A 68 9.118 -8.868 1.067 1.00 73.54 O ATOM 1080 CB PRO A 68 11.833 -7.367 -0.106 1.00 14.10 C ATOM 1081 CG PRO A 68 12.247 -5.944 0.106 1.00 71.32 C ATOM 1082 CD PRO A 68 11.319 -5.115 -0.749 1.00 22.31 C ATOM 0 HA PRO A 68 9.953 -8.019 -1.089 1.00 12.32 H new ATOM 0 HB2 PRO A 68 12.078 -7.982 0.760 1.00 14.10 H new ATOM 0 HB3 PRO A 68 12.346 -7.804 -0.963 1.00 14.10 H new ATOM 0 HG2 PRO A 68 12.165 -5.665 1.156 1.00 71.32 H new ATOM 0 HG3 PRO A 68 13.287 -5.792 -0.184 1.00 71.32 H new ATOM 0 HD2 PRO A 68 11.165 -4.121 -0.328 1.00 22.31 H new ATOM 0 HD3 PRO A 68 11.716 -4.977 -1.755 1.00 22.31 H new ATOM 1090 N ASP A 69 9.272 -6.732 1.832 1.00 63.31 N ATOM 1091 CA ASP A 69 8.644 -6.970 3.158 1.00 34.53 C ATOM 1092 C ASP A 69 7.348 -6.150 3.360 1.00 44.52 C ATOM 1093 O ASP A 69 6.421 -6.600 4.049 1.00 73.34 O ATOM 1094 CB ASP A 69 9.665 -6.624 4.284 1.00 35.35 C ATOM 1095 CG ASP A 69 10.006 -5.115 4.370 1.00 13.41 C ATOM 1096 OD1 ASP A 69 10.565 -4.568 3.396 1.00 72.40 O ATOM 1097 OD2 ASP A 69 9.675 -4.459 5.390 1.00 31.12 O ATOM 0 H ASP A 69 9.507 -5.754 1.663 1.00 63.31 H new ATOM 0 HA ASP A 69 8.367 -8.023 3.203 1.00 34.53 H new ATOM 0 HB2 ASP A 69 9.262 -6.952 5.242 1.00 35.35 H new ATOM 0 HB3 ASP A 69 10.583 -7.186 4.116 1.00 35.35 H new ATOM 1102 N SER A 70 7.284 -4.949 2.753 1.00 62.15 N ATOM 1103 CA SER A 70 6.258 -3.935 3.095 1.00 23.35 C ATOM 1104 C SER A 70 5.696 -3.228 1.855 1.00 54.21 C ATOM 1105 O SER A 70 6.171 -3.435 0.742 1.00 70.21 O ATOM 1106 CB SER A 70 6.883 -2.907 4.059 1.00 43.22 C ATOM 1107 OG SER A 70 8.093 -2.374 3.535 1.00 31.22 O ATOM 0 H SER A 70 7.931 -4.654 2.021 1.00 62.15 H new ATOM 0 HA SER A 70 5.419 -4.444 3.570 1.00 23.35 H new ATOM 0 HB2 SER A 70 6.175 -2.098 4.240 1.00 43.22 H new ATOM 0 HB3 SER A 70 7.079 -3.380 5.021 1.00 43.22 H new ATOM 0 HG SER A 70 7.895 -1.576 3.001 1.00 31.22 H new ATOM 1113 N ILE A 71 4.688 -2.365 2.084 1.00 34.12 N ATOM 1114 CA ILE A 71 3.982 -1.619 1.027 1.00 60.33 C ATOM 1115 C ILE A 71 4.203 -0.121 1.269 1.00 43.22 C ATOM 1116 O ILE A 71 3.632 0.437 2.204 1.00 62.03 O ATOM 1117 CB ILE A 71 2.426 -1.910 1.057 1.00 54.13 C ATOM 1118 CG1 ILE A 71 2.145 -3.444 1.104 1.00 22.01 C ATOM 1119 CG2 ILE A 71 1.703 -1.233 -0.142 1.00 61.32 C ATOM 1120 CD1 ILE A 71 0.694 -3.816 1.321 1.00 72.30 C ATOM 0 H ILE A 71 4.337 -2.164 3.021 1.00 34.12 H new ATOM 0 HA ILE A 71 4.372 -1.930 0.058 1.00 60.33 H new ATOM 0 HB ILE A 71 2.020 -1.473 1.969 1.00 54.13 H new ATOM 0 HG12 ILE A 71 2.484 -3.890 0.169 1.00 22.01 H new ATOM 0 HG13 ILE A 71 2.742 -3.884 1.903 1.00 22.01 H new ATOM 0 HG21 ILE A 71 0.636 -1.451 -0.094 1.00 61.32 H new ATOM 0 HG22 ILE A 71 1.855 -0.155 -0.097 1.00 61.32 H new ATOM 0 HG23 ILE A 71 2.110 -1.618 -1.077 1.00 61.32 H new ATOM 0 HD11 ILE A 71 0.595 -4.901 1.339 1.00 72.30 H new ATOM 0 HD12 ILE A 71 0.351 -3.404 2.270 1.00 72.30 H new ATOM 0 HD13 ILE A 71 0.089 -3.410 0.510 1.00 72.30 H new ATOM 1132 N THR A 72 5.013 0.543 0.439 1.00 4.22 N ATOM 1133 CA THR A 72 5.306 1.965 0.605 1.00 73.32 C ATOM 1134 C THR A 72 4.287 2.781 -0.203 1.00 4.20 C ATOM 1135 O THR A 72 4.284 2.738 -1.435 1.00 4.14 O ATOM 1136 CB THR A 72 6.759 2.278 0.120 1.00 14.52 C ATOM 1137 OG1 THR A 72 7.693 1.419 0.802 1.00 22.35 O ATOM 1138 CG2 THR A 72 7.151 3.750 0.347 1.00 64.41 C ATOM 0 H THR A 72 5.479 0.112 -0.359 1.00 4.22 H new ATOM 0 HA THR A 72 5.234 2.233 1.659 1.00 73.32 H new ATOM 0 HB THR A 72 6.790 2.094 -0.954 1.00 14.52 H new ATOM 0 HG1 THR A 72 8.603 1.616 0.495 1.00 22.35 H new ATOM 0 HG21 THR A 72 8.169 3.914 -0.007 1.00 64.41 H new ATOM 0 HG22 THR A 72 6.467 4.397 -0.202 1.00 64.41 H new ATOM 0 HG23 THR A 72 7.095 3.982 1.411 1.00 64.41 H new ATOM 1146 N VAL A 73 3.419 3.506 0.503 1.00 15.12 N ATOM 1147 CA VAL A 73 2.376 4.333 -0.105 1.00 20.54 C ATOM 1148 C VAL A 73 2.857 5.791 -0.041 1.00 54.24 C ATOM 1149 O VAL A 73 3.461 6.201 0.955 1.00 33.43 O ATOM 1150 CB VAL A 73 0.995 4.165 0.646 1.00 24.24 C ATOM 1151 CG1 VAL A 73 -0.085 5.111 0.072 1.00 24.42 C ATOM 1152 CG2 VAL A 73 0.516 2.689 0.610 1.00 22.53 C ATOM 0 H VAL A 73 3.420 3.536 1.523 1.00 15.12 H new ATOM 0 HA VAL A 73 2.207 4.026 -1.137 1.00 20.54 H new ATOM 0 HB VAL A 73 1.155 4.444 1.688 1.00 24.24 H new ATOM 0 HG11 VAL A 73 -1.020 4.967 0.613 1.00 24.42 H new ATOM 0 HG12 VAL A 73 0.242 6.145 0.181 1.00 24.42 H new ATOM 0 HG13 VAL A 73 -0.239 4.889 -0.984 1.00 24.42 H new ATOM 0 HG21 VAL A 73 -0.436 2.603 1.134 1.00 22.53 H new ATOM 0 HG22 VAL A 73 0.390 2.372 -0.425 1.00 22.53 H new ATOM 0 HG23 VAL A 73 1.257 2.054 1.096 1.00 22.53 H new ATOM 1162 N THR A 74 2.635 6.551 -1.115 1.00 51.23 N ATOM 1163 CA THR A 74 2.948 7.981 -1.176 1.00 22.13 C ATOM 1164 C THR A 74 1.630 8.772 -1.158 1.00 52.44 C ATOM 1165 O THR A 74 0.666 8.365 -1.816 1.00 65.23 O ATOM 1166 CB THR A 74 3.773 8.305 -2.469 1.00 50.32 C ATOM 1167 OG1 THR A 74 4.954 7.481 -2.516 1.00 52.12 O ATOM 1168 CG2 THR A 74 4.194 9.782 -2.536 1.00 31.12 C ATOM 0 H THR A 74 2.228 6.187 -1.977 1.00 51.23 H new ATOM 0 HA THR A 74 3.555 8.265 -0.316 1.00 22.13 H new ATOM 0 HB THR A 74 3.127 8.097 -3.322 1.00 50.32 H new ATOM 0 HG1 THR A 74 5.561 7.738 -1.791 1.00 52.12 H new ATOM 0 HG21 THR A 74 4.763 9.957 -3.449 1.00 31.12 H new ATOM 0 HG22 THR A 74 3.306 10.414 -2.535 1.00 31.12 H new ATOM 0 HG23 THR A 74 4.812 10.024 -1.671 1.00 31.12 H new ATOM 1176 N LYS A 75 1.588 9.868 -0.381 1.00 71.53 N ATOM 1177 CA LYS A 75 0.416 10.762 -0.311 1.00 62.04 C ATOM 1178 C LYS A 75 0.429 11.720 -1.520 1.00 70.55 C ATOM 1179 O LYS A 75 1.495 11.990 -2.097 1.00 35.53 O ATOM 1180 CB LYS A 75 0.399 11.558 1.031 1.00 10.04 C ATOM 1181 CG LYS A 75 1.595 12.515 1.223 1.00 30.23 C ATOM 1182 CD LYS A 75 1.608 13.221 2.600 1.00 12.11 C ATOM 1183 CE LYS A 75 1.831 12.266 3.781 1.00 25.43 C ATOM 1184 NZ LYS A 75 2.000 12.992 5.075 1.00 53.45 N ATOM 0 H LYS A 75 2.363 10.160 0.215 1.00 71.53 H new ATOM 0 HA LYS A 75 -0.492 10.160 -0.344 1.00 62.04 H new ATOM 0 HB2 LYS A 75 -0.524 12.135 1.085 1.00 10.04 H new ATOM 0 HB3 LYS A 75 0.380 10.849 1.859 1.00 10.04 H new ATOM 0 HG2 LYS A 75 2.522 11.954 1.103 1.00 30.23 H new ATOM 0 HG3 LYS A 75 1.575 13.270 0.437 1.00 30.23 H new ATOM 0 HD2 LYS A 75 2.392 13.978 2.603 1.00 12.11 H new ATOM 0 HD3 LYS A 75 0.661 13.743 2.740 1.00 12.11 H new ATOM 0 HE2 LYS A 75 0.984 11.584 3.858 1.00 25.43 H new ATOM 0 HE3 LYS A 75 2.715 11.657 3.591 1.00 25.43 H new ATOM 0 HZ1 LYS A 75 2.131 12.304 5.844 1.00 53.45 H new ATOM 0 HZ2 LYS A 75 2.833 13.612 5.019 1.00 53.45 H new ATOM 0 HZ3 LYS A 75 1.154 13.566 5.264 1.00 53.45 H new ATOM 1198 N GLU A 76 -0.764 12.214 -1.901 1.00 61.43 N ATOM 1199 CA GLU A 76 -0.934 13.115 -3.071 1.00 1.35 C ATOM 1200 C GLU A 76 -0.258 14.472 -2.849 1.00 32.35 C ATOM 1201 O GLU A 76 0.437 14.989 -3.730 1.00 20.32 O ATOM 1202 CB GLU A 76 -2.437 13.301 -3.407 1.00 72.40 C ATOM 1203 CG GLU A 76 -3.172 11.984 -3.723 1.00 24.24 C ATOM 1204 CD GLU A 76 -4.644 12.182 -4.094 1.00 42.50 C ATOM 1205 OE1 GLU A 76 -4.922 12.555 -5.248 1.00 13.55 O ATOM 1206 OE2 GLU A 76 -5.527 11.967 -3.231 1.00 63.14 O ATOM 0 H GLU A 76 -1.636 12.005 -1.414 1.00 61.43 H new ATOM 0 HA GLU A 76 -0.443 12.641 -3.921 1.00 1.35 H new ATOM 0 HB2 GLU A 76 -2.930 13.788 -2.566 1.00 72.40 H new ATOM 0 HB3 GLU A 76 -2.528 13.971 -4.262 1.00 72.40 H new ATOM 0 HG2 GLU A 76 -2.663 11.481 -4.545 1.00 24.24 H new ATOM 0 HG3 GLU A 76 -3.109 11.325 -2.857 1.00 24.24 H new ATOM 1213 N ASN A 77 -0.476 15.032 -1.662 1.00 62.25 N ATOM 1214 CA ASN A 77 0.175 16.275 -1.219 1.00 50.32 C ATOM 1215 C ASN A 77 0.456 16.209 0.283 1.00 70.23 C ATOM 1216 O ASN A 77 -0.234 15.475 1.006 1.00 31.42 O ATOM 1217 CB ASN A 77 -0.650 17.545 -1.616 1.00 43.14 C ATOM 1218 CG ASN A 77 -2.173 17.505 -1.342 1.00 15.11 C ATOM 1219 OD1 ASN A 77 -2.623 16.893 -0.259 1.00 3.33 O flip ATOM 1220 ND2 ASN A 77 -2.951 18.056 -2.116 1.00 33.34 N flip ATOM 0 H ASN A 77 -1.114 14.637 -0.970 1.00 62.25 H new ATOM 0 HA ASN A 77 1.129 16.368 -1.738 1.00 50.32 H new ATOM 0 HB2 ASN A 77 -0.232 18.400 -1.085 1.00 43.14 H new ATOM 0 HB3 ASN A 77 -0.502 17.727 -2.680 1.00 43.14 H new ATOM 0 HD21 ASN A 77 -2.595 18.526 -2.949 1.00 33.34 H new ATOM 0 HD22 ASN A 77 -3.953 18.044 -1.926 1.00 33.34 H new ATOM 1227 N GLU A 78 1.466 16.985 0.734 1.00 11.21 N ATOM 1228 CA GLU A 78 1.935 17.022 2.142 1.00 74.51 C ATOM 1229 C GLU A 78 0.807 17.422 3.117 1.00 2.33 C ATOM 1230 O GLU A 78 0.829 17.039 4.293 1.00 31.14 O ATOM 1231 CB GLU A 78 3.131 18.006 2.271 1.00 14.31 C ATOM 1232 CG GLU A 78 3.817 18.036 3.653 1.00 51.14 C ATOM 1233 CD GLU A 78 4.947 19.071 3.736 1.00 21.41 C ATOM 1234 OE1 GLU A 78 6.081 18.758 3.322 1.00 75.12 O ATOM 1235 OE2 GLU A 78 4.700 20.202 4.212 1.00 44.20 O ATOM 0 H GLU A 78 1.988 17.614 0.123 1.00 11.21 H new ATOM 0 HA GLU A 78 2.256 16.016 2.413 1.00 74.51 H new ATOM 0 HB2 GLU A 78 3.877 17.746 1.520 1.00 14.31 H new ATOM 0 HB3 GLU A 78 2.780 19.011 2.037 1.00 14.31 H new ATOM 0 HG2 GLU A 78 3.072 18.256 4.418 1.00 51.14 H new ATOM 0 HG3 GLU A 78 4.219 17.048 3.875 1.00 51.14 H new ATOM 1242 N GLU A 79 -0.182 18.168 2.578 1.00 71.13 N ATOM 1243 CA GLU A 79 -1.426 18.565 3.265 1.00 21.21 C ATOM 1244 C GLU A 79 -2.076 17.370 4.004 1.00 2.42 C ATOM 1245 O GLU A 79 -2.534 17.499 5.148 1.00 71.15 O ATOM 1246 CB GLU A 79 -2.413 19.121 2.202 1.00 54.01 C ATOM 1247 CG GLU A 79 -3.845 19.389 2.702 1.00 22.54 C ATOM 1248 CD GLU A 79 -4.856 19.597 1.562 1.00 71.33 C ATOM 1249 OE1 GLU A 79 -5.061 18.648 0.769 1.00 74.44 O ATOM 1250 OE2 GLU A 79 -5.472 20.681 1.474 1.00 61.24 O ATOM 0 H GLU A 79 -0.133 18.521 1.622 1.00 71.13 H new ATOM 0 HA GLU A 79 -1.190 19.323 4.012 1.00 21.21 H new ATOM 0 HB2 GLU A 79 -2.006 20.051 1.805 1.00 54.01 H new ATOM 0 HB3 GLU A 79 -2.463 18.415 1.373 1.00 54.01 H new ATOM 0 HG2 GLU A 79 -4.170 18.551 3.319 1.00 22.54 H new ATOM 0 HG3 GLU A 79 -3.841 20.272 3.341 1.00 22.54 H new ATOM 1257 N LEU A 80 -2.072 16.204 3.332 1.00 5.31 N ATOM 1258 CA LEU A 80 -2.646 14.957 3.845 1.00 11.34 C ATOM 1259 C LEU A 80 -1.806 14.411 4.994 1.00 45.53 C ATOM 1260 O LEU A 80 -0.605 14.191 4.845 1.00 45.02 O ATOM 1261 CB LEU A 80 -2.689 13.910 2.714 1.00 10.35 C ATOM 1262 CG LEU A 80 -3.595 14.259 1.505 1.00 42.30 C ATOM 1263 CD1 LEU A 80 -3.283 13.341 0.320 1.00 13.40 C ATOM 1264 CD2 LEU A 80 -5.094 14.217 1.876 1.00 55.45 C ATOM 0 H LEU A 80 -1.662 16.106 2.403 1.00 5.31 H new ATOM 0 HA LEU A 80 -3.653 15.162 4.208 1.00 11.34 H new ATOM 0 HB2 LEU A 80 -1.673 13.754 2.350 1.00 10.35 H new ATOM 0 HB3 LEU A 80 -3.026 12.962 3.134 1.00 10.35 H new ATOM 0 HG LEU A 80 -3.375 15.285 1.209 1.00 42.30 H new ATOM 0 HD11 LEU A 80 -3.928 13.599 -0.520 1.00 13.40 H new ATOM 0 HD12 LEU A 80 -2.240 13.465 0.029 1.00 13.40 H new ATOM 0 HD13 LEU A 80 -3.459 12.304 0.607 1.00 13.40 H new ATOM 0 HD21 LEU A 80 -5.693 14.468 1.000 1.00 55.45 H new ATOM 0 HD22 LEU A 80 -5.356 13.216 2.220 1.00 55.45 H new ATOM 0 HD23 LEU A 80 -5.293 14.937 2.670 1.00 55.45 H new ATOM 1276 N ASP A 81 -2.442 14.235 6.138 1.00 61.24 N ATOM 1277 CA ASP A 81 -1.828 13.542 7.281 1.00 12.21 C ATOM 1278 C ASP A 81 -2.065 12.033 7.146 1.00 51.21 C ATOM 1279 O ASP A 81 -3.154 11.617 6.742 1.00 54.12 O ATOM 1280 CB ASP A 81 -2.401 14.073 8.612 1.00 21.22 C ATOM 1281 CG ASP A 81 -1.768 13.406 9.847 1.00 32.04 C ATOM 1282 OD1 ASP A 81 -0.546 13.548 10.060 1.00 22.11 O ATOM 1283 OD2 ASP A 81 -2.479 12.725 10.594 1.00 43.54 O ATOM 0 H ASP A 81 -3.393 14.562 6.311 1.00 61.24 H new ATOM 0 HA ASP A 81 -0.755 13.734 7.284 1.00 12.21 H new ATOM 0 HB2 ASP A 81 -2.242 15.150 8.666 1.00 21.22 H new ATOM 0 HB3 ASP A 81 -3.478 13.908 8.629 1.00 21.22 H new ATOM 1288 N TRP A 82 -1.047 11.228 7.503 1.00 41.51 N ATOM 1289 CA TRP A 82 -1.088 9.762 7.349 1.00 32.15 C ATOM 1290 C TRP A 82 -2.200 9.110 8.177 1.00 35.32 C ATOM 1291 O TRP A 82 -2.796 8.148 7.725 1.00 3.22 O ATOM 1292 CB TRP A 82 0.294 9.109 7.662 1.00 42.04 C ATOM 1293 CG TRP A 82 1.264 9.156 6.502 1.00 42.11 C ATOM 1294 CD1 TRP A 82 2.508 9.725 6.474 1.00 23.54 C ATOM 1295 CD2 TRP A 82 1.049 8.601 5.190 1.00 43.50 C ATOM 1296 NE1 TRP A 82 3.073 9.561 5.233 1.00 4.04 N ATOM 1297 CE2 TRP A 82 2.197 8.874 4.430 1.00 60.53 C ATOM 1298 CE3 TRP A 82 -0.003 7.895 4.588 1.00 65.20 C ATOM 1299 CZ2 TRP A 82 2.322 8.480 3.103 1.00 42.34 C ATOM 1300 CZ3 TRP A 82 0.128 7.503 3.272 1.00 1.20 C ATOM 1301 CH2 TRP A 82 1.281 7.796 2.544 1.00 75.04 C ATOM 0 H TRP A 82 -0.176 11.574 7.905 1.00 41.51 H new ATOM 0 HA TRP A 82 -1.321 9.576 6.301 1.00 32.15 H new ATOM 0 HB2 TRP A 82 0.740 9.615 8.518 1.00 42.04 H new ATOM 0 HB3 TRP A 82 0.138 8.070 7.952 1.00 42.04 H new ATOM 0 HD1 TRP A 82 2.977 10.229 7.306 1.00 23.54 H new ATOM 0 HE1 TRP A 82 3.995 9.896 4.953 1.00 4.04 H new ATOM 0 HE3 TRP A 82 -0.899 7.663 5.145 1.00 65.20 H new ATOM 0 HZ2 TRP A 82 3.211 8.707 2.534 1.00 42.34 H new ATOM 0 HZ3 TRP A 82 -0.676 6.960 2.797 1.00 1.20 H new ATOM 0 HH2 TRP A 82 1.352 7.475 1.515 1.00 75.04 H new ATOM 1312 N ASN A 83 -2.512 9.679 9.348 1.00 11.44 N ATOM 1313 CA ASN A 83 -3.509 9.107 10.289 1.00 2.21 C ATOM 1314 C ASN A 83 -4.929 9.048 9.688 1.00 10.13 C ATOM 1315 O ASN A 83 -5.787 8.334 10.211 1.00 1.02 O ATOM 1316 CB ASN A 83 -3.504 9.854 11.638 1.00 53.44 C ATOM 1317 CG ASN A 83 -2.207 9.645 12.419 1.00 22.51 C ATOM 1318 OD1 ASN A 83 -2.105 8.735 13.241 1.00 61.23 O ATOM 1319 ND2 ASN A 83 -1.204 10.470 12.156 1.00 12.02 N ATOM 0 H ASN A 83 -2.088 10.546 9.678 1.00 11.44 H new ATOM 0 HA ASN A 83 -3.204 8.077 10.473 1.00 2.21 H new ATOM 0 HB2 ASN A 83 -3.649 10.920 11.460 1.00 53.44 H new ATOM 0 HB3 ASN A 83 -4.346 9.514 12.241 1.00 53.44 H new ATOM 0 HD21 ASN A 83 -0.313 10.361 12.641 1.00 12.02 H new ATOM 0 HD22 ASN A 83 -1.323 11.214 11.468 1.00 12.02 H new ATOM 1326 N LEU A 84 -5.169 9.833 8.623 1.00 41.13 N ATOM 1327 CA LEU A 84 -6.428 9.791 7.857 1.00 44.42 C ATOM 1328 C LEU A 84 -6.499 8.472 7.044 1.00 61.12 C ATOM 1329 O LEU A 84 -7.533 7.786 7.018 1.00 2.45 O ATOM 1330 CB LEU A 84 -6.506 11.021 6.906 1.00 70.31 C ATOM 1331 CG LEU A 84 -6.353 12.430 7.571 1.00 70.40 C ATOM 1332 CD1 LEU A 84 -6.378 13.548 6.502 1.00 63.11 C ATOM 1333 CD2 LEU A 84 -7.421 12.662 8.670 1.00 65.25 C ATOM 0 H LEU A 84 -4.497 10.514 8.269 1.00 41.13 H new ATOM 0 HA LEU A 84 -7.274 9.826 8.544 1.00 44.42 H new ATOM 0 HB2 LEU A 84 -5.730 10.916 6.148 1.00 70.31 H new ATOM 0 HB3 LEU A 84 -7.464 10.991 6.387 1.00 70.31 H new ATOM 0 HG LEU A 84 -5.381 12.463 8.063 1.00 70.40 H new ATOM 0 HD11 LEU A 84 -6.270 14.518 6.987 1.00 63.11 H new ATOM 0 HD12 LEU A 84 -5.557 13.400 5.801 1.00 63.11 H new ATOM 0 HD13 LEU A 84 -7.325 13.515 5.963 1.00 63.11 H new ATOM 0 HD21 LEU A 84 -7.283 13.650 9.109 1.00 65.25 H new ATOM 0 HD22 LEU A 84 -8.416 12.596 8.230 1.00 65.25 H new ATOM 0 HD23 LEU A 84 -7.316 11.903 9.445 1.00 65.25 H new ATOM 1345 N LEU A 85 -5.358 8.129 6.407 1.00 65.41 N ATOM 1346 CA LEU A 85 -5.230 6.965 5.509 1.00 1.42 C ATOM 1347 C LEU A 85 -5.008 5.642 6.287 1.00 31.25 C ATOM 1348 O LEU A 85 -5.624 4.640 5.956 1.00 5.41 O ATOM 1349 CB LEU A 85 -4.051 7.150 4.504 1.00 64.23 C ATOM 1350 CG LEU A 85 -4.147 8.344 3.492 1.00 72.24 C ATOM 1351 CD1 LEU A 85 -3.781 9.700 4.136 1.00 30.21 C ATOM 1352 CD2 LEU A 85 -3.296 8.060 2.236 1.00 35.54 C ATOM 0 H LEU A 85 -4.492 8.659 6.504 1.00 65.41 H new ATOM 0 HA LEU A 85 -6.174 6.902 4.967 1.00 1.42 H new ATOM 0 HB2 LEU A 85 -3.133 7.269 5.080 1.00 64.23 H new ATOM 0 HB3 LEU A 85 -3.950 6.229 3.930 1.00 64.23 H new ATOM 0 HG LEU A 85 -5.190 8.427 3.187 1.00 72.24 H new ATOM 0 HD11 LEU A 85 -3.864 10.491 3.391 1.00 30.21 H new ATOM 0 HD12 LEU A 85 -4.462 9.906 4.962 1.00 30.21 H new ATOM 0 HD13 LEU A 85 -2.758 9.661 4.510 1.00 30.21 H new ATOM 0 HD21 LEU A 85 -3.375 8.900 1.545 1.00 35.54 H new ATOM 0 HD22 LEU A 85 -2.254 7.925 2.525 1.00 35.54 H new ATOM 0 HD23 LEU A 85 -3.657 7.154 1.749 1.00 35.54 H new ATOM 1364 N LYS A 86 -4.111 5.671 7.306 1.00 55.50 N ATOM 1365 CA LYS A 86 -3.590 4.457 7.998 1.00 64.35 C ATOM 1366 C LYS A 86 -4.685 3.445 8.439 1.00 4.40 C ATOM 1367 O LYS A 86 -4.604 2.303 8.024 1.00 2.31 O ATOM 1368 CB LYS A 86 -2.669 4.833 9.193 1.00 13.32 C ATOM 1369 CG LYS A 86 -1.369 5.551 8.784 1.00 22.44 C ATOM 1370 CD LYS A 86 -0.550 6.042 9.999 1.00 43.21 C ATOM 1371 CE LYS A 86 0.005 4.893 10.854 1.00 25.43 C ATOM 1372 NZ LYS A 86 0.800 5.385 12.012 1.00 1.45 N ATOM 0 H LYS A 86 -3.725 6.540 7.675 1.00 55.50 H new ATOM 0 HA LYS A 86 -2.999 3.938 7.244 1.00 64.35 H new ATOM 0 HB2 LYS A 86 -3.225 5.473 9.879 1.00 13.32 H new ATOM 0 HB3 LYS A 86 -2.413 3.926 9.740 1.00 13.32 H new ATOM 0 HG2 LYS A 86 -0.757 4.874 8.188 1.00 22.44 H new ATOM 0 HG3 LYS A 86 -1.614 6.402 8.148 1.00 22.44 H new ATOM 0 HD2 LYS A 86 0.278 6.658 9.647 1.00 43.21 H new ATOM 0 HD3 LYS A 86 -1.179 6.679 10.621 1.00 43.21 H new ATOM 0 HE2 LYS A 86 -0.821 4.281 11.217 1.00 25.43 H new ATOM 0 HE3 LYS A 86 0.630 4.250 10.234 1.00 25.43 H new ATOM 0 HZ1 LYS A 86 1.154 4.575 12.560 1.00 1.45 H new ATOM 0 HZ2 LYS A 86 1.604 5.947 11.667 1.00 1.45 H new ATOM 0 HZ3 LYS A 86 0.198 5.977 12.620 1.00 1.45 H new ATOM 1386 N PRO A 87 -5.759 3.831 9.225 1.00 22.24 N ATOM 1387 CA PRO A 87 -6.819 2.858 9.645 1.00 24.30 C ATOM 1388 C PRO A 87 -7.613 2.276 8.440 1.00 32.42 C ATOM 1389 O PRO A 87 -8.087 1.124 8.491 1.00 31.23 O ATOM 1390 CB PRO A 87 -7.739 3.692 10.583 1.00 63.44 C ATOM 1391 CG PRO A 87 -7.516 5.114 10.170 1.00 42.31 C ATOM 1392 CD PRO A 87 -6.062 5.195 9.758 1.00 32.32 C ATOM 0 HA PRO A 87 -6.393 1.982 10.133 1.00 24.30 H new ATOM 0 HB2 PRO A 87 -8.785 3.406 10.468 1.00 63.44 H new ATOM 0 HB3 PRO A 87 -7.479 3.539 11.630 1.00 63.44 H new ATOM 0 HG2 PRO A 87 -8.173 5.390 9.345 1.00 42.31 H new ATOM 0 HG3 PRO A 87 -7.730 5.799 10.991 1.00 42.31 H new ATOM 0 HD2 PRO A 87 -5.904 5.963 9.001 1.00 32.32 H new ATOM 0 HD3 PRO A 87 -5.421 5.444 10.604 1.00 32.32 H new ATOM 1400 N ASP A 88 -7.719 3.076 7.354 1.00 22.53 N ATOM 1401 CA ASP A 88 -8.380 2.668 6.095 1.00 55.52 C ATOM 1402 C ASP A 88 -7.517 1.610 5.369 1.00 35.41 C ATOM 1403 O ASP A 88 -8.016 0.565 4.939 1.00 11.32 O ATOM 1404 CB ASP A 88 -8.595 3.920 5.191 1.00 33.30 C ATOM 1405 CG ASP A 88 -9.718 3.763 4.150 1.00 73.40 C ATOM 1406 OD1 ASP A 88 -9.704 2.792 3.371 1.00 25.11 O ATOM 1407 OD2 ASP A 88 -10.625 4.623 4.101 1.00 61.52 O ATOM 0 H ASP A 88 -7.347 4.025 7.327 1.00 22.53 H new ATOM 0 HA ASP A 88 -9.351 2.226 6.317 1.00 55.52 H new ATOM 0 HB2 ASP A 88 -8.820 4.777 5.825 1.00 33.30 H new ATOM 0 HB3 ASP A 88 -7.663 4.144 4.672 1.00 33.30 H new ATOM 1412 N ILE A 89 -6.204 1.905 5.281 1.00 44.01 N ATOM 1413 CA ILE A 89 -5.200 1.037 4.638 1.00 45.22 C ATOM 1414 C ILE A 89 -5.036 -0.272 5.443 1.00 14.14 C ATOM 1415 O ILE A 89 -4.868 -1.343 4.860 1.00 74.15 O ATOM 1416 CB ILE A 89 -3.818 1.796 4.453 1.00 51.21 C ATOM 1417 CG1 ILE A 89 -4.001 3.029 3.493 1.00 15.14 C ATOM 1418 CG2 ILE A 89 -2.701 0.855 3.935 1.00 22.45 C ATOM 1419 CD1 ILE A 89 -2.741 3.824 3.186 1.00 11.45 C ATOM 0 H ILE A 89 -5.807 2.765 5.660 1.00 44.01 H new ATOM 0 HA ILE A 89 -5.551 0.776 3.640 1.00 45.22 H new ATOM 0 HB ILE A 89 -3.503 2.153 5.433 1.00 51.21 H new ATOM 0 HG12 ILE A 89 -4.421 2.673 2.552 1.00 15.14 H new ATOM 0 HG13 ILE A 89 -4.734 3.703 3.935 1.00 15.14 H new ATOM 0 HG21 ILE A 89 -1.774 1.418 3.824 1.00 22.45 H new ATOM 0 HG22 ILE A 89 -2.550 0.044 4.647 1.00 22.45 H new ATOM 0 HG23 ILE A 89 -2.993 0.441 2.970 1.00 22.45 H new ATOM 0 HD11 ILE A 89 -2.985 4.649 2.516 1.00 11.45 H new ATOM 0 HD12 ILE A 89 -2.326 4.220 4.113 1.00 11.45 H new ATOM 0 HD13 ILE A 89 -2.008 3.174 2.709 1.00 11.45 H new ATOM 1431 N TYR A 90 -5.149 -0.173 6.779 1.00 3.21 N ATOM 1432 CA TYR A 90 -5.155 -1.349 7.678 1.00 65.14 C ATOM 1433 C TYR A 90 -6.351 -2.256 7.363 1.00 63.50 C ATOM 1434 O TYR A 90 -6.187 -3.463 7.223 1.00 73.41 O ATOM 1435 CB TYR A 90 -5.181 -0.927 9.181 1.00 14.41 C ATOM 1436 CG TYR A 90 -3.811 -0.599 9.803 1.00 52.42 C ATOM 1437 CD1 TYR A 90 -2.853 0.148 9.116 1.00 12.11 C ATOM 1438 CD2 TYR A 90 -3.487 -1.031 11.093 1.00 31.24 C ATOM 1439 CE1 TYR A 90 -1.629 0.448 9.690 1.00 35.24 C ATOM 1440 CE2 TYR A 90 -2.269 -0.733 11.668 1.00 11.24 C ATOM 1441 CZ TYR A 90 -1.346 0.008 10.970 1.00 23.34 C ATOM 1442 OH TYR A 90 -0.133 0.303 11.556 1.00 43.43 O ATOM 0 H TYR A 90 -5.239 0.718 7.268 1.00 3.21 H new ATOM 0 HA TYR A 90 -4.231 -1.901 7.503 1.00 65.14 H new ATOM 0 HB2 TYR A 90 -5.825 -0.054 9.284 1.00 14.41 H new ATOM 0 HB3 TYR A 90 -5.639 -1.731 9.758 1.00 14.41 H new ATOM 0 HD1 TYR A 90 -3.070 0.499 8.118 1.00 12.11 H new ATOM 0 HD2 TYR A 90 -4.207 -1.611 11.652 1.00 31.24 H new ATOM 0 HE1 TYR A 90 -0.899 1.023 9.140 1.00 35.24 H new ATOM 0 HE2 TYR A 90 -2.041 -1.081 12.665 1.00 11.24 H new ATOM 0 HH TYR A 90 0.289 -0.524 11.868 1.00 43.43 H new ATOM 1452 N ALA A 91 -7.542 -1.642 7.226 1.00 63.34 N ATOM 1453 CA ALA A 91 -8.792 -2.359 6.889 1.00 2.31 C ATOM 1454 C ALA A 91 -8.651 -3.118 5.547 1.00 20.31 C ATOM 1455 O ALA A 91 -8.950 -4.308 5.465 1.00 62.14 O ATOM 1456 CB ALA A 91 -9.965 -1.367 6.824 1.00 44.13 C ATOM 0 H ALA A 91 -7.667 -0.637 7.345 1.00 63.34 H new ATOM 0 HA ALA A 91 -8.990 -3.092 7.671 1.00 2.31 H new ATOM 0 HB1 ALA A 91 -10.881 -1.903 6.575 1.00 44.13 H new ATOM 0 HB2 ALA A 91 -10.082 -0.878 7.791 1.00 44.13 H new ATOM 0 HB3 ALA A 91 -9.765 -0.616 6.059 1.00 44.13 H new ATOM 1462 N THR A 92 -8.139 -2.401 4.530 1.00 15.05 N ATOM 1463 CA THR A 92 -7.929 -2.918 3.156 1.00 12.34 C ATOM 1464 C THR A 92 -6.988 -4.148 3.124 1.00 51.02 C ATOM 1465 O THR A 92 -7.294 -5.178 2.495 1.00 33.13 O ATOM 1466 CB THR A 92 -7.341 -1.783 2.256 1.00 24.04 C ATOM 1467 OG1 THR A 92 -8.218 -0.653 2.288 1.00 3.32 O ATOM 1468 CG2 THR A 92 -7.133 -2.215 0.795 1.00 12.14 C ATOM 0 H THR A 92 -7.853 -1.428 4.637 1.00 15.05 H new ATOM 0 HA THR A 92 -8.898 -3.241 2.776 1.00 12.34 H new ATOM 0 HB THR A 92 -6.360 -1.533 2.660 1.00 24.04 H new ATOM 0 HG1 THR A 92 -8.111 -0.180 3.140 1.00 3.32 H new ATOM 0 HG21 THR A 92 -6.723 -1.382 0.224 1.00 12.14 H new ATOM 0 HG22 THR A 92 -6.440 -3.055 0.759 1.00 12.14 H new ATOM 0 HG23 THR A 92 -8.089 -2.514 0.365 1.00 12.14 H new ATOM 1476 N ILE A 93 -5.842 -4.008 3.807 1.00 32.43 N ATOM 1477 CA ILE A 93 -4.803 -5.045 3.877 1.00 24.01 C ATOM 1478 C ILE A 93 -5.307 -6.271 4.680 1.00 62.25 C ATOM 1479 O ILE A 93 -5.144 -7.410 4.237 1.00 13.44 O ATOM 1480 CB ILE A 93 -3.476 -4.454 4.495 1.00 23.01 C ATOM 1481 CG1 ILE A 93 -2.844 -3.371 3.556 1.00 43.45 C ATOM 1482 CG2 ILE A 93 -2.443 -5.550 4.816 1.00 41.10 C ATOM 1483 CD1 ILE A 93 -1.585 -2.721 4.115 1.00 41.31 C ATOM 0 H ILE A 93 -5.609 -3.164 4.331 1.00 32.43 H new ATOM 0 HA ILE A 93 -4.578 -5.384 2.866 1.00 24.01 H new ATOM 0 HB ILE A 93 -3.757 -3.980 5.435 1.00 23.01 H new ATOM 0 HG12 ILE A 93 -2.607 -3.831 2.597 1.00 43.45 H new ATOM 0 HG13 ILE A 93 -3.585 -2.596 3.363 1.00 43.45 H new ATOM 0 HG21 ILE A 93 -1.548 -5.094 5.239 1.00 41.10 H new ATOM 0 HG22 ILE A 93 -2.867 -6.251 5.535 1.00 41.10 H new ATOM 0 HG23 ILE A 93 -2.181 -6.083 3.902 1.00 41.10 H new ATOM 0 HD11 ILE A 93 -1.210 -1.984 3.405 1.00 41.31 H new ATOM 0 HD12 ILE A 93 -1.818 -2.229 5.060 1.00 41.31 H new ATOM 0 HD13 ILE A 93 -0.825 -3.484 4.281 1.00 41.31 H new ATOM 1495 N MET A 94 -5.961 -6.027 5.837 1.00 51.41 N ATOM 1496 CA MET A 94 -6.489 -7.116 6.699 1.00 22.32 C ATOM 1497 C MET A 94 -7.542 -7.957 5.950 1.00 73.40 C ATOM 1498 O MET A 94 -7.471 -9.184 5.964 1.00 11.02 O ATOM 1499 CB MET A 94 -7.070 -6.576 8.041 1.00 63.12 C ATOM 1500 CG MET A 94 -6.021 -6.024 9.025 1.00 75.25 C ATOM 1501 SD MET A 94 -6.733 -5.543 10.625 1.00 2.00 S ATOM 1502 CE MET A 94 -7.973 -4.317 10.167 1.00 2.31 C ATOM 0 H MET A 94 -6.137 -5.089 6.198 1.00 51.41 H new ATOM 0 HA MET A 94 -5.645 -7.760 6.946 1.00 22.32 H new ATOM 0 HB2 MET A 94 -7.789 -5.787 7.818 1.00 63.12 H new ATOM 0 HB3 MET A 94 -7.620 -7.379 8.531 1.00 63.12 H new ATOM 0 HG2 MET A 94 -5.251 -6.778 9.188 1.00 75.25 H new ATOM 0 HG3 MET A 94 -5.530 -5.160 8.577 1.00 75.25 H new ATOM 0 HE1 MET A 94 -8.360 -3.837 11.066 1.00 2.31 H new ATOM 0 HE2 MET A 94 -7.520 -3.565 9.521 1.00 2.31 H new ATOM 0 HE3 MET A 94 -8.790 -4.806 9.637 1.00 2.31 H new ATOM 1512 N ASP A 95 -8.491 -7.285 5.271 1.00 54.13 N ATOM 1513 CA ASP A 95 -9.522 -7.960 4.445 1.00 41.13 C ATOM 1514 C ASP A 95 -8.889 -8.751 3.276 1.00 25.33 C ATOM 1515 O ASP A 95 -9.368 -9.837 2.942 1.00 54.12 O ATOM 1516 CB ASP A 95 -10.564 -6.938 3.897 1.00 55.42 C ATOM 1517 CG ASP A 95 -11.622 -6.513 4.937 1.00 73.10 C ATOM 1518 OD1 ASP A 95 -12.547 -7.308 5.214 1.00 25.21 O ATOM 1519 OD2 ASP A 95 -11.541 -5.393 5.477 1.00 74.35 O ATOM 0 H ASP A 95 -8.569 -6.268 5.276 1.00 54.13 H new ATOM 0 HA ASP A 95 -10.037 -8.668 5.095 1.00 41.13 H new ATOM 0 HB2 ASP A 95 -10.038 -6.051 3.543 1.00 55.42 H new ATOM 0 HB3 ASP A 95 -11.069 -7.374 3.035 1.00 55.42 H new ATOM 1524 N PHE A 96 -7.815 -8.204 2.686 1.00 22.20 N ATOM 1525 CA PHE A 96 -7.118 -8.822 1.532 1.00 11.52 C ATOM 1526 C PHE A 96 -6.480 -10.176 1.922 1.00 62.03 C ATOM 1527 O PHE A 96 -6.706 -11.205 1.263 1.00 34.41 O ATOM 1528 CB PHE A 96 -6.047 -7.836 0.995 1.00 50.44 C ATOM 1529 CG PHE A 96 -5.299 -8.296 -0.255 1.00 63.42 C ATOM 1530 CD1 PHE A 96 -5.907 -8.230 -1.508 1.00 73.23 C ATOM 1531 CD2 PHE A 96 -3.988 -8.770 -0.181 1.00 72.20 C ATOM 1532 CE1 PHE A 96 -5.227 -8.627 -2.643 1.00 3.30 C ATOM 1533 CE2 PHE A 96 -3.311 -9.162 -1.316 1.00 24.24 C ATOM 1534 CZ PHE A 96 -3.931 -9.088 -2.547 1.00 43.10 C ATOM 0 H PHE A 96 -7.401 -7.323 2.990 1.00 22.20 H new ATOM 0 HA PHE A 96 -7.845 -9.025 0.746 1.00 11.52 H new ATOM 0 HB2 PHE A 96 -6.531 -6.884 0.778 1.00 50.44 H new ATOM 0 HB3 PHE A 96 -5.319 -7.651 1.785 1.00 50.44 H new ATOM 0 HD1 PHE A 96 -6.920 -7.865 -1.592 1.00 73.23 H new ATOM 0 HD2 PHE A 96 -3.497 -8.830 0.779 1.00 72.20 H new ATOM 0 HE1 PHE A 96 -5.711 -8.576 -3.607 1.00 3.30 H new ATOM 0 HE2 PHE A 96 -2.297 -9.526 -1.242 1.00 24.24 H new ATOM 0 HZ PHE A 96 -3.400 -9.392 -3.437 1.00 43.10 H new ATOM 1544 N PHE A 97 -5.714 -10.155 3.020 1.00 43.44 N ATOM 1545 CA PHE A 97 -4.977 -11.334 3.518 1.00 14.33 C ATOM 1546 C PHE A 97 -5.902 -12.332 4.259 1.00 55.14 C ATOM 1547 O PHE A 97 -5.616 -13.531 4.280 1.00 33.34 O ATOM 1548 CB PHE A 97 -3.793 -10.881 4.409 1.00 32.12 C ATOM 1549 CG PHE A 97 -2.635 -10.242 3.619 1.00 2.44 C ATOM 1550 CD1 PHE A 97 -1.616 -11.029 3.090 1.00 21.04 C ATOM 1551 CD2 PHE A 97 -2.573 -8.871 3.389 1.00 20.10 C ATOM 1552 CE1 PHE A 97 -0.575 -10.466 2.370 1.00 45.44 C ATOM 1553 CE2 PHE A 97 -1.535 -8.308 2.663 1.00 14.13 C ATOM 1554 CZ PHE A 97 -0.536 -9.106 2.156 1.00 2.13 C ATOM 0 H PHE A 97 -5.585 -9.321 3.592 1.00 43.44 H new ATOM 0 HA PHE A 97 -4.578 -11.871 2.657 1.00 14.33 H new ATOM 0 HB2 PHE A 97 -4.157 -10.165 5.146 1.00 32.12 H new ATOM 0 HB3 PHE A 97 -3.414 -11.742 4.960 1.00 32.12 H new ATOM 0 HD1 PHE A 97 -1.637 -12.098 3.244 1.00 21.04 H new ATOM 0 HD2 PHE A 97 -3.349 -8.233 3.784 1.00 20.10 H new ATOM 0 HE1 PHE A 97 0.209 -11.096 1.975 1.00 45.44 H new ATOM 0 HE2 PHE A 97 -1.511 -7.241 2.495 1.00 14.13 H new ATOM 0 HZ PHE A 97 0.275 -8.668 1.593 1.00 2.13 H new ATOM 1564 N ALA A 98 -7.008 -11.833 4.856 1.00 2.50 N ATOM 1565 CA ALA A 98 -8.044 -12.691 5.500 1.00 25.22 C ATOM 1566 C ALA A 98 -8.883 -13.426 4.437 1.00 55.42 C ATOM 1567 O ALA A 98 -9.390 -14.527 4.682 1.00 33.15 O ATOM 1568 CB ALA A 98 -8.958 -11.866 6.430 1.00 13.02 C ATOM 0 H ALA A 98 -7.212 -10.835 4.908 1.00 2.50 H new ATOM 0 HA ALA A 98 -7.526 -13.433 6.108 1.00 25.22 H new ATOM 0 HB1 ALA A 98 -9.702 -12.521 6.884 1.00 13.02 H new ATOM 0 HB2 ALA A 98 -8.357 -11.402 7.213 1.00 13.02 H new ATOM 0 HB3 ALA A 98 -9.461 -11.091 5.852 1.00 13.02 H new ATOM 1574 N SER A 99 -9.023 -12.792 3.259 1.00 12.23 N ATOM 1575 CA SER A 99 -9.714 -13.380 2.091 1.00 51.35 C ATOM 1576 C SER A 99 -8.782 -14.358 1.354 1.00 74.32 C ATOM 1577 O SER A 99 -9.246 -15.219 0.595 1.00 24.13 O ATOM 1578 CB SER A 99 -10.196 -12.258 1.139 1.00 3.23 C ATOM 1579 OG SER A 99 -10.923 -12.766 0.026 1.00 40.43 O ATOM 0 H SER A 99 -8.660 -11.854 3.087 1.00 12.23 H new ATOM 0 HA SER A 99 -10.585 -13.936 2.439 1.00 51.35 H new ATOM 0 HB2 SER A 99 -10.825 -11.561 1.693 1.00 3.23 H new ATOM 0 HB3 SER A 99 -9.335 -11.695 0.780 1.00 3.23 H new ATOM 0 HG SER A 99 -11.208 -12.023 -0.545 1.00 40.43 H new ATOM 1585 N GLY A 100 -7.463 -14.209 1.597 1.00 24.33 N ATOM 1586 CA GLY A 100 -6.448 -15.078 1.012 1.00 74.24 C ATOM 1587 C GLY A 100 -6.249 -14.844 -0.483 1.00 32.14 C ATOM 1588 O GLY A 100 -6.054 -15.798 -1.250 1.00 33.44 O ATOM 0 H GLY A 100 -7.083 -13.482 2.204 1.00 24.33 H new ATOM 0 HA2 GLY A 100 -5.501 -14.919 1.528 1.00 74.24 H new ATOM 0 HA3 GLY A 100 -6.730 -16.118 1.177 1.00 74.24 H new ATOM 1592 N LEU A 101 -6.306 -13.563 -0.893 1.00 12.23 N ATOM 1593 CA LEU A 101 -6.141 -13.149 -2.301 1.00 12.13 C ATOM 1594 C LEU A 101 -4.637 -12.944 -2.605 1.00 53.12 C ATOM 1595 O LEU A 101 -3.940 -12.346 -1.787 1.00 74.52 O ATOM 1596 CB LEU A 101 -6.935 -11.837 -2.560 1.00 42.50 C ATOM 1597 CG LEU A 101 -8.462 -11.885 -2.253 1.00 4.20 C ATOM 1598 CD1 LEU A 101 -9.143 -10.525 -2.549 1.00 11.42 C ATOM 1599 CD2 LEU A 101 -9.152 -13.047 -3.007 1.00 72.21 C ATOM 0 H LEU A 101 -6.468 -12.783 -0.256 1.00 12.23 H new ATOM 0 HA LEU A 101 -6.531 -13.925 -2.960 1.00 12.13 H new ATOM 0 HB2 LEU A 101 -6.490 -11.043 -1.960 1.00 42.50 H new ATOM 0 HB3 LEU A 101 -6.804 -11.558 -3.606 1.00 42.50 H new ATOM 0 HG LEU A 101 -8.577 -12.077 -1.186 1.00 4.20 H new ATOM 0 HD11 LEU A 101 -10.207 -10.594 -2.324 1.00 11.42 H new ATOM 0 HD12 LEU A 101 -8.691 -9.750 -1.931 1.00 11.42 H new ATOM 0 HD13 LEU A 101 -9.010 -10.273 -3.601 1.00 11.42 H new ATOM 0 HD21 LEU A 101 -10.216 -13.053 -2.771 1.00 72.21 H new ATOM 0 HD22 LEU A 101 -9.019 -12.914 -4.081 1.00 72.21 H new ATOM 0 HD23 LEU A 101 -8.708 -13.994 -2.701 1.00 72.21 H new ATOM 1611 N PRO A 102 -4.103 -13.439 -3.772 1.00 1.35 N ATOM 1612 CA PRO A 102 -2.668 -13.272 -4.135 1.00 32.22 C ATOM 1613 C PRO A 102 -2.320 -11.797 -4.416 1.00 5.40 C ATOM 1614 O PRO A 102 -3.164 -11.061 -4.953 1.00 44.22 O ATOM 1615 CB PRO A 102 -2.503 -14.157 -5.409 1.00 22.13 C ATOM 1616 CG PRO A 102 -3.745 -15.002 -5.466 1.00 43.24 C ATOM 1617 CD PRO A 102 -4.834 -14.183 -4.823 1.00 74.33 C ATOM 0 HA PRO A 102 -1.995 -13.568 -3.330 1.00 32.22 H new ATOM 0 HB2 PRO A 102 -2.403 -13.543 -6.304 1.00 22.13 H new ATOM 0 HB3 PRO A 102 -1.608 -14.776 -5.345 1.00 22.13 H new ATOM 0 HG2 PRO A 102 -4.001 -15.251 -6.496 1.00 43.24 H new ATOM 0 HG3 PRO A 102 -3.601 -15.944 -4.937 1.00 43.24 H new ATOM 0 HD2 PRO A 102 -5.311 -13.512 -5.537 1.00 74.33 H new ATOM 0 HD3 PRO A 102 -5.619 -14.812 -4.403 1.00 74.33 H new ATOM 1625 N LEU A 103 -1.086 -11.382 -4.058 1.00 60.23 N ATOM 1626 CA LEU A 103 -0.633 -9.983 -4.202 1.00 63.44 C ATOM 1627 C LEU A 103 -0.751 -9.544 -5.671 1.00 13.42 C ATOM 1628 O LEU A 103 -1.310 -8.490 -5.971 1.00 21.15 O ATOM 1629 CB LEU A 103 0.827 -9.836 -3.671 1.00 61.32 C ATOM 1630 CG LEU A 103 1.298 -8.405 -3.214 1.00 42.41 C ATOM 1631 CD1 LEU A 103 1.463 -7.416 -4.391 1.00 33.51 C ATOM 1632 CD2 LEU A 103 0.353 -7.826 -2.126 1.00 65.11 C ATOM 0 H LEU A 103 -0.380 -12.004 -3.663 1.00 60.23 H new ATOM 0 HA LEU A 103 -1.269 -9.329 -3.606 1.00 63.44 H new ATOM 0 HB2 LEU A 103 0.947 -10.514 -2.826 1.00 61.32 H new ATOM 0 HB3 LEU A 103 1.505 -10.178 -4.453 1.00 61.32 H new ATOM 0 HG LEU A 103 2.289 -8.533 -2.780 1.00 42.41 H new ATOM 0 HD11 LEU A 103 1.789 -6.448 -4.010 1.00 33.51 H new ATOM 0 HD12 LEU A 103 2.207 -7.801 -5.088 1.00 33.51 H new ATOM 0 HD13 LEU A 103 0.509 -7.300 -4.906 1.00 33.51 H new ATOM 0 HD21 LEU A 103 0.703 -6.837 -1.829 1.00 65.11 H new ATOM 0 HD22 LEU A 103 -0.658 -7.749 -2.526 1.00 65.11 H new ATOM 0 HD23 LEU A 103 0.350 -8.485 -1.258 1.00 65.11 H new ATOM 1644 N VAL A 104 -0.249 -10.394 -6.574 1.00 41.52 N ATOM 1645 CA VAL A 104 -0.297 -10.175 -8.024 1.00 30.15 C ATOM 1646 C VAL A 104 -1.121 -11.316 -8.636 1.00 60.14 C ATOM 1647 O VAL A 104 -0.743 -12.489 -8.517 1.00 1.35 O ATOM 1648 CB VAL A 104 1.152 -10.151 -8.659 1.00 13.13 C ATOM 1649 CG1 VAL A 104 1.108 -9.863 -10.186 1.00 24.24 C ATOM 1650 CG2 VAL A 104 2.066 -9.148 -7.911 1.00 4.42 C ATOM 0 H VAL A 104 0.209 -11.267 -6.314 1.00 41.52 H new ATOM 0 HA VAL A 104 -0.751 -9.206 -8.232 1.00 30.15 H new ATOM 0 HB VAL A 104 1.583 -11.145 -8.540 1.00 13.13 H new ATOM 0 HG11 VAL A 104 2.123 -9.855 -10.584 1.00 24.24 H new ATOM 0 HG12 VAL A 104 0.528 -10.639 -10.686 1.00 24.24 H new ATOM 0 HG13 VAL A 104 0.642 -8.893 -10.360 1.00 24.24 H new ATOM 0 HG21 VAL A 104 3.057 -9.149 -8.366 1.00 4.42 H new ATOM 0 HG22 VAL A 104 1.638 -8.148 -7.976 1.00 4.42 H new ATOM 0 HG23 VAL A 104 2.147 -9.440 -6.864 1.00 4.42 H new ATOM 1660 N THR A 105 -2.266 -10.984 -9.244 1.00 75.34 N ATOM 1661 CA THR A 105 -3.140 -11.978 -9.885 1.00 3.24 C ATOM 1662 C THR A 105 -2.696 -12.255 -11.328 1.00 63.14 C ATOM 1663 O THR A 105 -2.613 -13.417 -11.746 1.00 65.34 O ATOM 1664 CB THR A 105 -4.632 -11.525 -9.835 1.00 31.00 C ATOM 1665 OG1 THR A 105 -4.726 -10.137 -10.213 1.00 55.22 O ATOM 1666 CG2 THR A 105 -5.247 -11.736 -8.433 1.00 63.15 C ATOM 0 H THR A 105 -2.612 -10.027 -9.306 1.00 75.34 H new ATOM 0 HA THR A 105 -3.054 -12.909 -9.325 1.00 3.24 H new ATOM 0 HB THR A 105 -5.197 -12.139 -10.537 1.00 31.00 H new ATOM 0 HG1 THR A 105 -5.663 -9.853 -10.183 1.00 55.22 H new ATOM 0 HG21 THR A 105 -6.287 -11.409 -8.439 1.00 63.15 H new ATOM 0 HG22 THR A 105 -5.201 -12.793 -8.171 1.00 63.15 H new ATOM 0 HG23 THR A 105 -4.688 -11.155 -7.699 1.00 63.15 H new ATOM 1674 N GLU A 106 -2.373 -11.188 -12.078 1.00 4.41 N ATOM 1675 CA GLU A 106 -1.953 -11.308 -13.483 1.00 71.53 C ATOM 1676 C GLU A 106 -0.772 -10.366 -13.763 1.00 15.12 C ATOM 1677 O GLU A 106 -0.795 -9.193 -13.367 1.00 43.14 O ATOM 1678 CB GLU A 106 -3.138 -10.983 -14.433 1.00 63.43 C ATOM 1679 CG GLU A 106 -2.875 -11.306 -15.921 1.00 2.13 C ATOM 1680 CD GLU A 106 -4.026 -10.885 -16.848 1.00 31.51 C ATOM 1681 OE1 GLU A 106 -4.959 -11.686 -17.075 1.00 11.12 O ATOM 1682 OE2 GLU A 106 -4.014 -9.735 -17.342 1.00 25.34 O ATOM 0 H GLU A 106 -2.395 -10.229 -11.732 1.00 4.41 H new ATOM 0 HA GLU A 106 -1.635 -12.335 -13.666 1.00 71.53 H new ATOM 0 HB2 GLU A 106 -4.015 -11.540 -14.103 1.00 63.43 H new ATOM 0 HB3 GLU A 106 -3.380 -9.924 -14.342 1.00 63.43 H new ATOM 0 HG2 GLU A 106 -1.961 -10.805 -16.238 1.00 2.13 H new ATOM 0 HG3 GLU A 106 -2.705 -12.377 -16.028 1.00 2.13 H new ATOM 1689 N GLU A 107 0.258 -10.909 -14.429 1.00 54.41 N ATOM 1690 CA GLU A 107 1.415 -10.149 -14.925 1.00 64.54 C ATOM 1691 C GLU A 107 1.103 -9.603 -16.342 1.00 11.03 C ATOM 1692 O GLU A 107 0.722 -10.402 -17.223 1.00 54.44 O ATOM 1693 CB GLU A 107 2.677 -11.059 -14.957 1.00 34.42 C ATOM 1694 CG GLU A 107 3.095 -11.658 -13.592 1.00 72.40 C ATOM 1695 CD GLU A 107 4.289 -12.621 -13.706 1.00 73.30 C ATOM 1696 OE1 GLU A 107 5.434 -12.145 -13.876 1.00 45.32 O ATOM 1697 OE2 GLU A 107 4.093 -13.855 -13.646 1.00 1.11 O ATOM 1698 OXT GLU A 107 1.230 -8.381 -16.574 1.00 36.60 O ATOM 0 H GLU A 107 0.311 -11.905 -14.642 1.00 54.41 H new ATOM 0 HA GLU A 107 1.613 -9.311 -14.257 1.00 64.54 H new ATOM 0 HB2 GLU A 107 2.497 -11.877 -15.655 1.00 34.42 H new ATOM 0 HB3 GLU A 107 3.512 -10.481 -15.352 1.00 34.42 H new ATOM 0 HG2 GLU A 107 3.350 -10.849 -12.908 1.00 72.40 H new ATOM 0 HG3 GLU A 107 2.247 -12.187 -13.157 1.00 72.40 H new TER 1705 GLU A 107