USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 759 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 Single : A 1 ALA N :NH3+ -105:sc= 0.13 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.019 K(o=-0.019,f=-0.95) USER MOD Single : A 6 THR OG1 : rot 160:sc= 0.149 USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0252) USER MOD Single : A 8 ASN : amide:sc= -0.0636 X(o=-0.064,f=-0.064) USER MOD Single : A 9 ASN : amide:sc= -0.0599 K(o=-0.06,f=-0.89) USER MOD Single : A 12 SER OG : rot 180:sc= 0.139 USER MOD Single : A 17 ASN : amide:sc= -0.0121 X(o=-0.012,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot -15:sc= 1.22 USER MOD Single : A 22 GLN : amide:sc= -0.612 X(o=-0.61,f=-0.29) USER MOD Single : A 24 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.328) USER MOD Single : A 25 SER OG : rot 180:sc= 0.00381 USER MOD Single : A 29 SER OG : rot -170:sc= -0.0753 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 128:sc= 1.31 USER MOD Single : A 36 SER OG : rot 85:sc= 1.24 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -142:sc= 1.05 (180deg=-0.205) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -13:sc= 1.27 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 1.29 (180deg=1.24) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-3.4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.04) USER MOD Single : A 84 SER OG : rot 64:sc= 0.764 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -116:sc= 0.779 (180deg=-1.19!) USER MOD Single : A 93 ASN : amide:sc= 0.267 X(o=0.27,f=0) USER MOD Single : A 99 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.1) USER MOD Single : A 101 HIS : no HE2:sc= -0.624 K(o=-0.62,f=-1.9!) USER MOD Single : A 102 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.041) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 20.156 18.880 -8.647 1.00 0.00 N ATOM 2 CA ALA A 1 20.369 19.597 -7.371 1.00 0.00 C ATOM 3 C ALA A 1 19.087 19.592 -6.556 1.00 0.00 C ATOM 4 O ALA A 1 18.006 19.363 -7.105 1.00 0.00 O ATOM 5 CB ALA A 1 20.834 21.022 -7.632 1.00 0.00 C ATOM 0 H1 ALA A 1 20.612 17.946 -8.601 1.00 0.00 H new ATOM 0 H2 ALA A 1 19.136 18.760 -8.812 1.00 0.00 H new ATOM 0 H3 ALA A 1 20.570 19.429 -9.427 1.00 0.00 H new ATOM 0 HA ALA A 1 21.147 19.086 -6.804 1.00 0.00 H new ATOM 0 HB1 ALA A 1 20.986 21.535 -6.682 1.00 0.00 H new ATOM 0 HB2 ALA A 1 21.771 21.003 -8.188 1.00 0.00 H new ATOM 0 HB3 ALA A 1 20.078 21.551 -8.213 1.00 0.00 H new ATOM 13 N GLU A 2 19.227 19.799 -5.243 1.00 0.00 N ATOM 14 CA GLU A 2 18.103 19.781 -4.296 1.00 0.00 C ATOM 15 C GLU A 2 17.566 18.361 -4.114 1.00 0.00 C ATOM 16 O GLU A 2 17.745 17.748 -3.063 1.00 0.00 O ATOM 17 CB GLU A 2 16.976 20.725 -4.737 1.00 0.00 C ATOM 18 CG GLU A 2 17.385 22.192 -4.816 1.00 0.00 C ATOM 19 CD GLU A 2 18.508 22.548 -3.862 1.00 0.00 C ATOM 20 OE1 GLU A 2 18.307 22.447 -2.633 1.00 0.00 O ATOM 21 OE2 GLU A 2 19.596 22.932 -4.336 1.00 0.00 O ATOM 0 H GLU A 2 20.128 19.985 -4.803 1.00 0.00 H new ATOM 0 HA GLU A 2 18.481 20.137 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 2 16.613 20.407 -5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 2 16.143 20.629 -4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 2 17.695 22.422 -5.835 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.519 22.817 -4.598 1.00 0.00 H new ATOM 28 N PHE A 3 17.030 17.800 -5.182 1.00 0.00 N ATOM 29 CA PHE A 3 16.611 16.411 -5.183 1.00 0.00 C ATOM 30 C PHE A 3 17.672 15.570 -5.877 1.00 0.00 C ATOM 31 O PHE A 3 18.251 16.001 -6.876 1.00 0.00 O ATOM 32 CB PHE A 3 15.264 16.258 -5.891 1.00 0.00 C ATOM 33 CG PHE A 3 14.143 16.985 -5.203 1.00 0.00 C ATOM 34 CD1 PHE A 3 13.518 16.433 -4.095 1.00 0.00 C ATOM 35 CD2 PHE A 3 13.715 18.220 -5.663 1.00 0.00 C ATOM 36 CE1 PHE A 3 12.485 17.097 -3.461 1.00 0.00 C ATOM 37 CE2 PHE A 3 12.684 18.891 -5.033 1.00 0.00 C ATOM 38 CZ PHE A 3 12.068 18.328 -3.931 1.00 0.00 C ATOM 0 H PHE A 3 16.874 18.288 -6.064 1.00 0.00 H new ATOM 0 HA PHE A 3 16.493 16.070 -4.154 1.00 0.00 H new ATOM 0 HB2 PHE A 3 15.354 16.628 -6.912 1.00 0.00 H new ATOM 0 HB3 PHE A 3 15.014 15.199 -5.957 1.00 0.00 H new ATOM 0 HD1 PHE A 3 13.842 15.472 -3.723 1.00 0.00 H new ATOM 0 HD2 PHE A 3 14.193 18.664 -6.524 1.00 0.00 H new ATOM 0 HE1 PHE A 3 12.005 16.655 -2.600 1.00 0.00 H new ATOM 0 HE2 PHE A 3 12.360 19.853 -5.401 1.00 0.00 H new ATOM 0 HZ PHE A 3 11.261 18.850 -3.438 1.00 0.00 H new ATOM 48 N GLY A 4 17.964 14.402 -5.319 1.00 0.00 N ATOM 49 CA GLY A 4 19.006 13.552 -5.869 1.00 0.00 C ATOM 50 C GLY A 4 18.535 12.721 -7.048 1.00 0.00 C ATOM 51 O GLY A 4 19.131 11.690 -7.357 1.00 0.00 O ATOM 0 H GLY A 4 17.497 14.026 -4.493 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.846 14.173 -6.182 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.375 12.887 -5.088 1.00 0.00 H new ATOM 55 N ASN A 5 17.499 13.207 -7.731 1.00 0.00 N ATOM 56 CA ASN A 5 16.962 12.558 -8.929 1.00 0.00 C ATOM 57 C ASN A 5 16.606 11.098 -8.670 1.00 0.00 C ATOM 58 O ASN A 5 17.329 10.185 -9.076 1.00 0.00 O ATOM 59 CB ASN A 5 17.959 12.659 -10.086 1.00 0.00 C ATOM 60 CG ASN A 5 17.303 12.410 -11.432 1.00 0.00 C ATOM 61 OD1 ASN A 5 16.163 12.809 -11.661 1.00 0.00 O ATOM 62 ND2 ASN A 5 18.018 11.755 -12.332 1.00 0.00 N ATOM 0 H ASN A 5 17.008 14.062 -7.470 1.00 0.00 H new ATOM 0 HA ASN A 5 16.045 13.082 -9.200 1.00 0.00 H new ATOM 0 HB2 ASN A 5 18.416 13.649 -10.084 1.00 0.00 H new ATOM 0 HB3 ASN A 5 18.762 11.937 -9.936 1.00 0.00 H new ATOM 0 HD21 ASN A 5 17.626 11.565 -13.254 1.00 0.00 H new ATOM 0 HD22 ASN A 5 18.961 11.440 -12.103 1.00 0.00 H new ATOM 69 N THR A 6 15.488 10.881 -7.993 1.00 0.00 N ATOM 70 CA THR A 6 15.026 9.537 -7.676 1.00 0.00 C ATOM 71 C THR A 6 14.392 8.868 -8.896 1.00 0.00 C ATOM 72 O THR A 6 13.197 8.576 -8.911 1.00 0.00 O ATOM 73 CB THR A 6 14.007 9.582 -6.529 1.00 0.00 C ATOM 74 OG1 THR A 6 13.893 10.928 -6.044 1.00 0.00 O ATOM 75 CG2 THR A 6 14.427 8.656 -5.396 1.00 0.00 C ATOM 0 H THR A 6 14.880 11.625 -7.650 1.00 0.00 H new ATOM 0 HA THR A 6 15.893 8.951 -7.370 1.00 0.00 H new ATOM 0 HB THR A 6 13.041 9.245 -6.905 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.048 11.030 -5.558 1.00 0.00 H new ATOM 0 HG21 THR A 6 13.690 8.704 -4.594 1.00 0.00 H new ATOM 0 HG22 THR A 6 14.493 7.633 -5.767 1.00 0.00 H new ATOM 0 HG23 THR A 6 15.400 8.966 -5.014 1.00 0.00 H new ATOM 83 N LYS A 7 15.193 8.676 -9.931 1.00 0.00 N ATOM 84 CA LYS A 7 14.716 8.101 -11.179 1.00 0.00 C ATOM 85 C LYS A 7 14.976 6.603 -11.220 1.00 0.00 C ATOM 86 O LYS A 7 16.055 6.136 -10.837 1.00 0.00 O ATOM 87 CB LYS A 7 15.409 8.775 -12.366 1.00 0.00 C ATOM 88 CG LYS A 7 14.527 8.900 -13.595 1.00 0.00 C ATOM 89 CD LYS A 7 14.234 10.353 -13.920 1.00 0.00 C ATOM 90 CE LYS A 7 12.988 10.489 -14.779 1.00 0.00 C ATOM 91 NZ LYS A 7 13.138 9.801 -16.090 1.00 0.00 N ATOM 0 H LYS A 7 16.185 8.912 -9.931 1.00 0.00 H new ATOM 0 HA LYS A 7 13.641 8.270 -11.242 1.00 0.00 H new ATOM 0 HB2 LYS A 7 15.741 9.769 -12.065 1.00 0.00 H new ATOM 0 HB3 LYS A 7 16.301 8.205 -12.626 1.00 0.00 H new ATOM 0 HG2 LYS A 7 15.017 8.427 -14.446 1.00 0.00 H new ATOM 0 HG3 LYS A 7 13.591 8.367 -13.429 1.00 0.00 H new ATOM 0 HD2 LYS A 7 14.103 10.915 -12.995 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.086 10.790 -14.441 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.133 10.072 -14.246 1.00 0.00 H new ATOM 0 HE3 LYS A 7 12.776 11.545 -14.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.317 10.016 -16.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 14.006 10.131 -16.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.196 8.774 -15.938 1.00 0.00 H new ATOM 105 N ASN A 8 14.025 5.861 -11.765 1.00 0.00 N ATOM 106 CA ASN A 8 14.188 4.427 -11.954 1.00 0.00 C ATOM 107 C ASN A 8 14.883 4.165 -13.283 1.00 0.00 C ATOM 108 O ASN A 8 14.271 3.706 -14.246 1.00 0.00 O ATOM 109 CB ASN A 8 12.830 3.717 -11.909 1.00 0.00 C ATOM 110 CG ASN A 8 12.958 2.206 -12.035 1.00 0.00 C ATOM 111 OD1 ASN A 8 13.598 1.550 -11.212 1.00 0.00 O ATOM 112 ND2 ASN A 8 12.347 1.641 -13.064 1.00 0.00 N ATOM 0 H ASN A 8 13.129 6.229 -12.085 1.00 0.00 H new ATOM 0 HA ASN A 8 14.802 4.030 -11.145 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.328 3.959 -10.972 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.200 4.093 -12.715 1.00 0.00 H new ATOM 0 HD21 ASN A 8 12.397 0.631 -13.195 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.826 2.216 -13.726 1.00 0.00 H new ATOM 119 N ASN A 9 16.155 4.534 -13.350 1.00 0.00 N ATOM 120 CA ASN A 9 16.919 4.407 -14.585 1.00 0.00 C ATOM 121 C ASN A 9 17.309 2.954 -14.817 1.00 0.00 C ATOM 122 O ASN A 9 17.373 2.484 -15.956 1.00 0.00 O ATOM 123 CB ASN A 9 18.167 5.293 -14.539 1.00 0.00 C ATOM 124 CG ASN A 9 18.678 5.636 -15.923 1.00 0.00 C ATOM 125 OD1 ASN A 9 17.899 5.893 -16.842 1.00 0.00 O ATOM 126 ND2 ASN A 9 19.993 5.658 -16.078 1.00 0.00 N ATOM 0 H ASN A 9 16.679 4.923 -12.566 1.00 0.00 H new ATOM 0 HA ASN A 9 16.293 4.737 -15.414 1.00 0.00 H new ATOM 0 HB2 ASN A 9 17.938 6.212 -14.000 1.00 0.00 H new ATOM 0 HB3 ASN A 9 18.952 4.783 -13.980 1.00 0.00 H new ATOM 0 HD21 ASN A 9 20.396 5.894 -16.985 1.00 0.00 H new ATOM 0 HD22 ASN A 9 20.603 5.439 -15.291 1.00 0.00 H new ATOM 133 N GLY A 10 17.456 2.221 -13.724 1.00 0.00 N ATOM 134 CA GLY A 10 17.708 0.801 -13.807 1.00 0.00 C ATOM 135 C GLY A 10 16.474 0.001 -13.450 1.00 0.00 C ATOM 136 O GLY A 10 15.395 0.242 -13.991 1.00 0.00 O ATOM 0 H GLY A 10 17.404 2.590 -12.774 1.00 0.00 H new ATOM 0 HA2 GLY A 10 18.030 0.545 -14.816 1.00 0.00 H new ATOM 0 HA3 GLY A 10 18.524 0.534 -13.135 1.00 0.00 H new ATOM 140 N ALA A 11 16.620 -0.920 -12.517 1.00 0.00 N ATOM 141 CA ALA A 11 15.501 -1.728 -12.058 1.00 0.00 C ATOM 142 C ALA A 11 15.493 -1.813 -10.537 1.00 0.00 C ATOM 143 O ALA A 11 15.312 -2.888 -9.963 1.00 0.00 O ATOM 144 CB ALA A 11 15.563 -3.117 -12.679 1.00 0.00 C ATOM 0 H ALA A 11 17.507 -1.130 -12.058 1.00 0.00 H new ATOM 0 HA ALA A 11 14.573 -1.252 -12.375 1.00 0.00 H new ATOM 0 HB1 ALA A 11 14.720 -3.711 -12.327 1.00 0.00 H new ATOM 0 HB2 ALA A 11 15.519 -3.032 -13.765 1.00 0.00 H new ATOM 0 HB3 ALA A 11 16.495 -3.603 -12.390 1.00 0.00 H new ATOM 150 N SER A 12 15.728 -0.680 -9.893 1.00 0.00 N ATOM 151 CA SER A 12 15.787 -0.613 -8.441 1.00 0.00 C ATOM 152 C SER A 12 14.382 -0.674 -7.838 1.00 0.00 C ATOM 153 O SER A 12 13.722 0.352 -7.664 1.00 0.00 O ATOM 154 CB SER A 12 16.493 0.678 -8.025 1.00 0.00 C ATOM 155 OG SER A 12 16.944 1.402 -9.166 1.00 0.00 O ATOM 0 H SER A 12 15.882 0.214 -10.359 1.00 0.00 H new ATOM 0 HA SER A 12 16.348 -1.469 -8.066 1.00 0.00 H new ATOM 0 HB2 SER A 12 15.812 1.298 -7.442 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.340 0.442 -7.381 1.00 0.00 H new ATOM 0 HG SER A 12 17.391 2.225 -8.876 1.00 0.00 H new ATOM 161 N GLY A 13 13.900 -1.883 -7.592 1.00 0.00 N ATOM 162 CA GLY A 13 12.551 -2.053 -7.095 1.00 0.00 C ATOM 163 C GLY A 13 12.496 -2.796 -5.777 1.00 0.00 C ATOM 164 O GLY A 13 11.421 -2.955 -5.202 1.00 0.00 O ATOM 0 H GLY A 13 14.420 -2.750 -7.728 1.00 0.00 H new ATOM 0 HA2 GLY A 13 12.088 -1.074 -6.973 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.962 -2.594 -7.836 1.00 0.00 H new ATOM 168 N ALA A 14 13.646 -3.287 -5.322 1.00 0.00 N ATOM 169 CA ALA A 14 13.725 -4.071 -4.087 1.00 0.00 C ATOM 170 C ALA A 14 13.169 -3.302 -2.890 1.00 0.00 C ATOM 171 O ALA A 14 12.608 -3.892 -1.966 1.00 0.00 O ATOM 172 CB ALA A 14 15.163 -4.491 -3.823 1.00 0.00 C ATOM 0 H ALA A 14 14.542 -3.156 -5.791 1.00 0.00 H new ATOM 0 HA ALA A 14 13.110 -4.961 -4.220 1.00 0.00 H new ATOM 0 HB1 ALA A 14 15.209 -5.073 -2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 14 15.523 -5.097 -4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 14 15.789 -3.604 -3.723 1.00 0.00 H new ATOM 178 N ASP A 15 13.308 -1.984 -2.923 1.00 0.00 N ATOM 179 CA ASP A 15 12.797 -1.133 -1.855 1.00 0.00 C ATOM 180 C ASP A 15 11.284 -0.991 -1.966 1.00 0.00 C ATOM 181 O ASP A 15 10.554 -1.196 -0.996 1.00 0.00 O ATOM 182 CB ASP A 15 13.455 0.250 -1.915 1.00 0.00 C ATOM 183 CG ASP A 15 13.610 0.890 -0.545 1.00 0.00 C ATOM 184 OD1 ASP A 15 13.963 0.172 0.414 1.00 0.00 O ATOM 185 OD2 ASP A 15 13.400 2.118 -0.424 1.00 0.00 O ATOM 0 H ASP A 15 13.771 -1.479 -3.679 1.00 0.00 H new ATOM 0 HA ASP A 15 13.038 -1.599 -0.900 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.436 0.160 -2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.858 0.904 -2.551 1.00 0.00 H new ATOM 190 N ILE A 16 10.833 -0.566 -3.139 1.00 0.00 N ATOM 191 CA ILE A 16 9.420 -0.292 -3.381 1.00 0.00 C ATOM 192 C ILE A 16 8.557 -1.554 -3.297 1.00 0.00 C ATOM 193 O ILE A 16 7.483 -1.535 -2.696 1.00 0.00 O ATOM 194 CB ILE A 16 9.224 0.377 -4.761 1.00 0.00 C ATOM 195 CG1 ILE A 16 9.989 1.701 -4.817 1.00 0.00 C ATOM 196 CG2 ILE A 16 7.747 0.604 -5.052 1.00 0.00 C ATOM 197 CD1 ILE A 16 10.989 1.771 -5.948 1.00 0.00 C ATOM 0 H ILE A 16 11.433 -0.402 -3.948 1.00 0.00 H new ATOM 0 HA ILE A 16 9.094 0.387 -2.593 1.00 0.00 H new ATOM 0 HB ILE A 16 9.619 -0.292 -5.526 1.00 0.00 H new ATOM 0 HG12 ILE A 16 9.276 2.519 -4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 16 10.510 1.851 -3.872 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.637 1.076 -6.028 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.225 -0.353 -5.050 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.321 1.252 -4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 16 11.495 2.736 -5.927 1.00 0.00 H new ATOM 0 HD12 ILE A 16 11.724 0.974 -5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 16 10.471 1.653 -6.900 1.00 0.00 H new ATOM 209 N ASN A 17 8.985 -2.618 -3.966 1.00 0.00 N ATOM 210 CA ASN A 17 8.192 -3.846 -4.034 1.00 0.00 C ATOM 211 C ASN A 17 8.007 -4.477 -2.661 1.00 0.00 C ATOM 212 O ASN A 17 6.932 -4.986 -2.346 1.00 0.00 O ATOM 213 CB ASN A 17 8.833 -4.861 -4.981 1.00 0.00 C ATOM 214 CG ASN A 17 7.825 -5.863 -5.513 1.00 0.00 C ATOM 215 OD1 ASN A 17 7.890 -7.057 -5.208 1.00 0.00 O ATOM 216 ND2 ASN A 17 6.882 -5.387 -6.311 1.00 0.00 N ATOM 0 H ASN A 17 9.872 -2.659 -4.468 1.00 0.00 H new ATOM 0 HA ASN A 17 7.211 -3.567 -4.418 1.00 0.00 H new ATOM 0 HB2 ASN A 17 9.296 -4.335 -5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.629 -5.391 -4.458 1.00 0.00 H new ATOM 0 HD21 ASN A 17 6.176 -6.014 -6.697 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.861 -4.393 -6.540 1.00 0.00 H new ATOM 223 N ASN A 18 9.046 -4.421 -1.834 1.00 0.00 N ATOM 224 CA ASN A 18 8.971 -4.971 -0.484 1.00 0.00 C ATOM 225 C ASN A 18 7.978 -4.178 0.359 1.00 0.00 C ATOM 226 O ASN A 18 7.282 -4.732 1.205 1.00 0.00 O ATOM 227 CB ASN A 18 10.346 -4.951 0.184 1.00 0.00 C ATOM 228 CG ASN A 18 10.828 -6.338 0.574 1.00 0.00 C ATOM 229 OD1 ASN A 18 11.317 -7.098 -0.265 1.00 0.00 O ATOM 230 ND2 ASN A 18 10.716 -6.671 1.851 1.00 0.00 N ATOM 0 H ASN A 18 9.945 -4.003 -2.072 1.00 0.00 H new ATOM 0 HA ASN A 18 8.631 -6.004 -0.558 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.068 -4.497 -0.494 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.304 -4.322 1.073 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.040 -7.584 2.170 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.306 -6.015 2.515 1.00 0.00 H new ATOM 237 N TYR A 19 7.905 -2.882 0.097 1.00 0.00 N ATOM 238 CA TYR A 19 6.984 -1.999 0.800 1.00 0.00 C ATOM 239 C TYR A 19 5.549 -2.229 0.328 1.00 0.00 C ATOM 240 O TYR A 19 4.638 -2.393 1.140 1.00 0.00 O ATOM 241 CB TYR A 19 7.393 -0.547 0.560 1.00 0.00 C ATOM 242 CG TYR A 19 6.840 0.432 1.568 1.00 0.00 C ATOM 243 CD1 TYR A 19 7.531 0.723 2.737 1.00 0.00 C ATOM 244 CD2 TYR A 19 5.636 1.083 1.338 1.00 0.00 C ATOM 245 CE1 TYR A 19 7.033 1.633 3.650 1.00 0.00 C ATOM 246 CE2 TYR A 19 5.136 1.997 2.241 1.00 0.00 C ATOM 247 CZ TYR A 19 5.837 2.271 3.396 1.00 0.00 C ATOM 248 OH TYR A 19 5.343 3.190 4.293 1.00 0.00 O ATOM 0 H TYR A 19 8.479 -2.414 -0.605 1.00 0.00 H new ATOM 0 HA TYR A 19 7.028 -2.217 1.867 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.481 -0.483 0.568 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.064 -0.249 -0.436 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.472 0.231 2.936 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.081 0.870 0.436 1.00 0.00 H new ATOM 0 HE1 TYR A 19 7.578 1.844 4.558 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.199 2.496 2.044 1.00 0.00 H new ATOM 0 HH TYR A 19 5.816 3.101 5.146 1.00 0.00 H new ATOM 258 N ALA A 20 5.360 -2.251 -0.989 1.00 0.00 N ATOM 259 CA ALA A 20 4.042 -2.468 -1.579 1.00 0.00 C ATOM 260 C ALA A 20 3.512 -3.852 -1.235 1.00 0.00 C ATOM 261 O ALA A 20 2.311 -4.039 -1.028 1.00 0.00 O ATOM 262 CB ALA A 20 4.101 -2.282 -3.086 1.00 0.00 C ATOM 0 H ALA A 20 6.107 -2.120 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 20 3.357 -1.730 -1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.111 -2.447 -3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.430 -1.268 -3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.804 -2.997 -3.514 1.00 0.00 H new ATOM 268 N GLY A 21 4.421 -4.813 -1.144 1.00 0.00 N ATOM 269 CA GLY A 21 4.042 -6.162 -0.789 1.00 0.00 C ATOM 270 C GLY A 21 3.520 -6.255 0.630 1.00 0.00 C ATOM 271 O GLY A 21 2.589 -7.013 0.903 1.00 0.00 O ATOM 0 H GLY A 21 5.418 -4.679 -1.311 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.277 -6.516 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.903 -6.821 -0.902 1.00 0.00 H new ATOM 275 N GLN A 22 4.103 -5.466 1.523 1.00 0.00 N ATOM 276 CA GLN A 22 3.680 -5.440 2.917 1.00 0.00 C ATOM 277 C GLN A 22 2.264 -4.890 3.048 1.00 0.00 C ATOM 278 O GLN A 22 1.458 -5.401 3.825 1.00 0.00 O ATOM 279 CB GLN A 22 4.640 -4.579 3.739 1.00 0.00 C ATOM 280 CG GLN A 22 5.926 -5.285 4.127 1.00 0.00 C ATOM 281 CD GLN A 22 5.694 -6.560 4.914 1.00 0.00 C ATOM 282 OE1 GLN A 22 6.364 -7.566 4.690 1.00 0.00 O ATOM 283 NE2 GLN A 22 4.748 -6.527 5.840 1.00 0.00 N ATOM 0 H GLN A 22 4.873 -4.833 1.306 1.00 0.00 H new ATOM 0 HA GLN A 22 3.692 -6.463 3.293 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.887 -3.684 3.169 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.131 -4.250 4.645 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.490 -5.520 3.224 1.00 0.00 H new ATOM 0 HG3 GLN A 22 6.541 -4.607 4.719 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.215 -5.671 5.994 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.553 -7.357 6.399 1.00 0.00 H new ATOM 292 N ILE A 23 1.979 -3.826 2.301 1.00 0.00 N ATOM 293 CA ILE A 23 0.675 -3.170 2.348 1.00 0.00 C ATOM 294 C ILE A 23 -0.449 -4.142 2.003 1.00 0.00 C ATOM 295 O ILE A 23 -1.494 -4.152 2.653 1.00 0.00 O ATOM 296 CB ILE A 23 0.609 -1.968 1.381 1.00 0.00 C ATOM 297 CG1 ILE A 23 1.748 -0.986 1.670 1.00 0.00 C ATOM 298 CG2 ILE A 23 -0.741 -1.265 1.483 1.00 0.00 C ATOM 299 CD1 ILE A 23 2.010 -0.018 0.536 1.00 0.00 C ATOM 0 H ILE A 23 2.639 -3.398 1.652 1.00 0.00 H new ATOM 0 HA ILE A 23 0.544 -2.814 3.370 1.00 0.00 H new ATOM 0 HB ILE A 23 0.723 -2.341 0.363 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.511 -0.422 2.572 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.659 -1.548 1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.765 -0.421 0.793 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.536 -1.965 1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.888 -0.905 2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.829 0.648 0.808 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.278 -0.574 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.112 0.570 0.345 1.00 0.00 H new ATOM 311 N LYS A 24 -0.233 -4.938 0.959 1.00 0.00 N ATOM 312 CA LYS A 24 -1.235 -5.893 0.494 1.00 0.00 C ATOM 313 C LYS A 24 -1.679 -6.829 1.614 1.00 0.00 C ATOM 314 O LYS A 24 -2.870 -7.092 1.780 1.00 0.00 O ATOM 315 CB LYS A 24 -0.686 -6.712 -0.675 1.00 0.00 C ATOM 316 CG LYS A 24 -0.617 -5.942 -1.983 1.00 0.00 C ATOM 317 CD LYS A 24 -0.560 -6.883 -3.177 1.00 0.00 C ATOM 318 CE LYS A 24 0.599 -6.541 -4.103 1.00 0.00 C ATOM 319 NZ LYS A 24 1.787 -7.398 -3.846 1.00 0.00 N ATOM 0 H LYS A 24 0.631 -4.940 0.417 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.103 -5.323 0.162 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.312 -7.068 -0.420 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.312 -7.593 -0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.488 -5.292 -2.071 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.263 -5.298 -1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.457 -7.910 -2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.498 -6.828 -3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.283 -6.660 -5.139 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.872 -5.494 -3.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.634 -6.946 -4.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.911 -7.521 -2.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.648 -8.327 -4.292 1.00 0.00 H new ATOM 333 N SER A 25 -0.720 -7.329 2.377 1.00 0.00 N ATOM 334 CA SER A 25 -1.018 -8.236 3.475 1.00 0.00 C ATOM 335 C SER A 25 -1.529 -7.468 4.697 1.00 0.00 C ATOM 336 O SER A 25 -2.412 -7.943 5.416 1.00 0.00 O ATOM 337 CB SER A 25 0.234 -9.038 3.823 1.00 0.00 C ATOM 338 OG SER A 25 1.025 -9.261 2.664 1.00 0.00 O ATOM 0 H SER A 25 0.272 -7.122 2.257 1.00 0.00 H new ATOM 0 HA SER A 25 -1.807 -8.921 3.165 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.819 -8.503 4.571 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.051 -9.993 4.265 1.00 0.00 H new ATOM 0 HG SER A 25 1.823 -9.775 2.907 1.00 0.00 H new ATOM 344 N ALA A 26 -0.968 -6.279 4.924 1.00 0.00 N ATOM 345 CA ALA A 26 -1.352 -5.433 6.055 1.00 0.00 C ATOM 346 C ALA A 26 -2.833 -5.075 6.013 1.00 0.00 C ATOM 347 O ALA A 26 -3.490 -4.986 7.050 1.00 0.00 O ATOM 348 CB ALA A 26 -0.517 -4.161 6.071 1.00 0.00 C ATOM 0 H ALA A 26 -0.240 -5.878 4.333 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.167 -6.002 6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.814 -3.542 6.917 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.538 -4.419 6.163 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.676 -3.609 5.144 1.00 0.00 H new ATOM 354 N ILE A 27 -3.340 -4.830 4.814 1.00 0.00 N ATOM 355 CA ILE A 27 -4.730 -4.435 4.635 1.00 0.00 C ATOM 356 C ILE A 27 -5.678 -5.565 5.044 1.00 0.00 C ATOM 357 O ILE A 27 -6.703 -5.327 5.687 1.00 0.00 O ATOM 358 CB ILE A 27 -4.994 -4.008 3.174 1.00 0.00 C ATOM 359 CG1 ILE A 27 -4.261 -2.692 2.881 1.00 0.00 C ATOM 360 CG2 ILE A 27 -6.487 -3.876 2.898 1.00 0.00 C ATOM 361 CD1 ILE A 27 -4.749 -1.973 1.641 1.00 0.00 C ATOM 0 H ILE A 27 -2.807 -4.898 3.947 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.922 -3.580 5.283 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.610 -4.782 2.509 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.371 -2.029 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.196 -2.898 2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.640 -3.574 1.862 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -6.975 -4.835 3.073 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.915 -3.124 3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -4.180 -1.053 1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.613 -2.615 0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.806 -1.732 1.752 1.00 0.00 H new ATOM 373 N GLU A 28 -5.299 -6.799 4.732 1.00 0.00 N ATOM 374 CA GLU A 28 -6.084 -7.964 5.122 1.00 0.00 C ATOM 375 C GLU A 28 -5.988 -8.224 6.626 1.00 0.00 C ATOM 376 O GLU A 28 -6.858 -8.874 7.207 1.00 0.00 O ATOM 377 CB GLU A 28 -5.657 -9.204 4.342 1.00 0.00 C ATOM 378 CG GLU A 28 -6.834 -10.011 3.815 1.00 0.00 C ATOM 379 CD GLU A 28 -6.949 -9.965 2.306 1.00 0.00 C ATOM 380 OE1 GLU A 28 -6.649 -8.903 1.715 1.00 0.00 O ATOM 381 OE2 GLU A 28 -7.327 -10.989 1.708 1.00 0.00 O ATOM 0 H GLU A 28 -4.451 -7.019 4.209 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.124 -7.747 4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.028 -8.901 3.505 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.048 -9.839 4.985 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.730 -11.048 4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.755 -9.632 4.257 1.00 0.00 H new ATOM 388 N SER A 29 -4.965 -7.671 7.270 1.00 0.00 N ATOM 389 CA SER A 29 -4.832 -7.800 8.716 1.00 0.00 C ATOM 390 C SER A 29 -5.929 -7.000 9.416 1.00 0.00 C ATOM 391 O SER A 29 -6.362 -7.341 10.520 1.00 0.00 O ATOM 392 CB SER A 29 -3.453 -7.325 9.174 1.00 0.00 C ATOM 393 OG SER A 29 -2.452 -7.698 8.241 1.00 0.00 O ATOM 0 H SER A 29 -4.224 -7.135 6.819 1.00 0.00 H new ATOM 0 HA SER A 29 -4.938 -8.852 8.983 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.459 -6.242 9.293 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.223 -7.752 10.150 1.00 0.00 H new ATOM 0 HG SER A 29 -1.567 -7.526 8.625 1.00 0.00 H new ATOM 399 N LYS A 30 -6.451 -5.999 8.713 1.00 0.00 N ATOM 400 CA LYS A 30 -7.582 -5.230 9.205 1.00 0.00 C ATOM 401 C LYS A 30 -8.872 -5.786 8.616 1.00 0.00 C ATOM 402 O LYS A 30 -9.819 -6.086 9.340 1.00 0.00 O ATOM 403 CB LYS A 30 -7.433 -3.747 8.847 1.00 0.00 C ATOM 404 CG LYS A 30 -6.175 -3.095 9.406 1.00 0.00 C ATOM 405 CD LYS A 30 -5.925 -3.491 10.855 1.00 0.00 C ATOM 406 CE LYS A 30 -6.385 -2.410 11.823 1.00 0.00 C ATOM 407 NZ LYS A 30 -6.021 -2.731 13.228 1.00 0.00 N ATOM 0 H LYS A 30 -6.106 -5.704 7.800 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.614 -5.313 10.291 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.431 -3.645 7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.304 -3.206 9.216 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.317 -3.382 8.798 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.267 -2.011 9.337 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.449 -4.421 11.073 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.862 -3.682 11.002 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.938 -1.457 11.541 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.466 -2.290 11.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.352 -1.970 13.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.468 -3.628 13.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.988 -2.820 13.307 1.00 0.00 H new ATOM 421 N PHE A 31 -8.869 -5.989 7.304 1.00 0.00 N ATOM 422 CA PHE A 31 -10.002 -6.588 6.617 1.00 0.00 C ATOM 423 C PHE A 31 -9.841 -8.097 6.576 1.00 0.00 C ATOM 424 O PHE A 31 -9.225 -8.626 5.654 1.00 0.00 O ATOM 425 CB PHE A 31 -10.121 -6.054 5.187 1.00 0.00 C ATOM 426 CG PHE A 31 -10.886 -4.764 5.079 1.00 0.00 C ATOM 427 CD1 PHE A 31 -11.222 -4.039 6.212 1.00 0.00 C ATOM 428 CD2 PHE A 31 -11.280 -4.285 3.841 1.00 0.00 C ATOM 429 CE1 PHE A 31 -11.934 -2.861 6.112 1.00 0.00 C ATOM 430 CE2 PHE A 31 -11.991 -3.106 3.734 1.00 0.00 C ATOM 431 CZ PHE A 31 -12.320 -2.393 4.872 1.00 0.00 C ATOM 0 H PHE A 31 -8.089 -5.745 6.694 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.907 -6.326 7.165 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -9.120 -5.907 4.780 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.609 -6.807 4.568 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -10.923 -4.401 7.185 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -11.028 -4.840 2.949 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -12.189 -2.306 7.003 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -12.290 -2.741 2.762 1.00 0.00 H new ATOM 0 HZ PHE A 31 -12.878 -1.472 4.791 1.00 0.00 H new ATOM 441 N TYR A 32 -10.341 -8.775 7.600 1.00 0.00 N ATOM 442 CA TYR A 32 -10.194 -10.225 7.715 1.00 0.00 C ATOM 443 C TYR A 32 -10.842 -10.951 6.537 1.00 0.00 C ATOM 444 O TYR A 32 -12.027 -11.289 6.577 1.00 0.00 O ATOM 445 CB TYR A 32 -10.806 -10.715 9.024 1.00 0.00 C ATOM 446 CG TYR A 32 -9.788 -10.962 10.115 1.00 0.00 C ATOM 447 CD1 TYR A 32 -8.612 -10.222 10.179 1.00 0.00 C ATOM 448 CD2 TYR A 32 -9.999 -11.936 11.079 1.00 0.00 C ATOM 449 CE1 TYR A 32 -7.680 -10.448 11.173 1.00 0.00 C ATOM 450 CE2 TYR A 32 -9.073 -12.165 12.077 1.00 0.00 C ATOM 451 CZ TYR A 32 -7.916 -11.421 12.117 1.00 0.00 C ATOM 452 OH TYR A 32 -6.990 -11.654 13.106 1.00 0.00 O ATOM 0 H TYR A 32 -10.855 -8.344 8.368 1.00 0.00 H new ATOM 0 HA TYR A 32 -9.128 -10.450 7.705 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -11.530 -9.979 9.374 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -11.355 -11.638 8.835 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.425 -9.458 9.439 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -10.903 -12.526 11.049 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.772 -9.865 11.209 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -9.256 -12.924 12.823 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.310 -12.372 13.691 1.00 0.00 H new ATOM 462 N ASP A 33 -10.067 -11.102 5.460 1.00 0.00 N ATOM 463 CA ASP A 33 -10.539 -11.696 4.205 1.00 0.00 C ATOM 464 C ASP A 33 -11.665 -10.866 3.610 1.00 0.00 C ATOM 465 O ASP A 33 -12.391 -11.301 2.721 1.00 0.00 O ATOM 466 CB ASP A 33 -10.984 -13.148 4.419 1.00 0.00 C ATOM 467 CG ASP A 33 -10.766 -14.017 3.198 1.00 0.00 C ATOM 468 OD1 ASP A 33 -9.602 -14.208 2.796 1.00 0.00 O ATOM 469 OD2 ASP A 33 -11.760 -14.544 2.651 1.00 0.00 O ATOM 0 H ASP A 33 -9.089 -10.814 5.433 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.709 -11.701 3.498 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.436 -13.570 5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.041 -13.163 4.686 1.00 0.00 H new ATOM 474 N ALA A 34 -11.764 -9.651 4.103 1.00 0.00 N ATOM 475 CA ALA A 34 -12.756 -8.695 3.640 1.00 0.00 C ATOM 476 C ALA A 34 -12.306 -8.027 2.351 1.00 0.00 C ATOM 477 O ALA A 34 -13.081 -7.893 1.406 1.00 0.00 O ATOM 478 CB ALA A 34 -13.043 -7.663 4.716 1.00 0.00 C ATOM 0 H ALA A 34 -11.157 -9.293 4.840 1.00 0.00 H new ATOM 0 HA ALA A 34 -13.680 -9.235 3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.788 -6.955 4.352 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.422 -8.163 5.607 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.125 -7.129 4.962 1.00 0.00 H new ATOM 484 N SER A 35 -11.026 -7.664 2.302 1.00 0.00 N ATOM 485 CA SER A 35 -10.439 -7.069 1.110 1.00 0.00 C ATOM 486 C SER A 35 -10.392 -8.104 -0.002 1.00 0.00 C ATOM 487 O SER A 35 -10.409 -7.771 -1.189 1.00 0.00 O ATOM 488 CB SER A 35 -9.033 -6.567 1.426 1.00 0.00 C ATOM 489 OG SER A 35 -8.526 -7.194 2.592 1.00 0.00 O ATOM 0 H SER A 35 -10.375 -7.774 3.080 1.00 0.00 H new ATOM 0 HA SER A 35 -11.048 -6.226 0.784 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.372 -6.768 0.583 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.051 -5.486 1.567 1.00 0.00 H new ATOM 0 HG SER A 35 -7.647 -7.582 2.399 1.00 0.00 H new ATOM 495 N SER A 36 -10.414 -9.362 0.410 1.00 0.00 N ATOM 496 CA SER A 36 -10.459 -10.492 -0.495 1.00 0.00 C ATOM 497 C SER A 36 -11.855 -10.627 -1.110 1.00 0.00 C ATOM 498 O SER A 36 -12.617 -11.537 -0.776 1.00 0.00 O ATOM 499 CB SER A 36 -10.085 -11.747 0.286 1.00 0.00 C ATOM 500 OG SER A 36 -8.840 -12.261 -0.151 1.00 0.00 O ATOM 0 H SER A 36 -10.401 -9.627 1.395 1.00 0.00 H new ATOM 0 HA SER A 36 -9.753 -10.346 -1.313 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.035 -11.517 1.350 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.860 -12.503 0.160 1.00 0.00 H new ATOM 0 HG SER A 36 -8.113 -11.800 0.317 1.00 0.00 H new ATOM 506 N TYR A 37 -12.227 -9.639 -1.910 1.00 0.00 N ATOM 507 CA TYR A 37 -13.569 -9.559 -2.457 1.00 0.00 C ATOM 508 C TYR A 37 -13.615 -10.072 -3.890 1.00 0.00 C ATOM 509 O TYR A 37 -14.523 -10.822 -4.255 1.00 0.00 O ATOM 510 CB TYR A 37 -14.063 -8.111 -2.405 1.00 0.00 C ATOM 511 CG TYR A 37 -15.160 -7.876 -1.388 1.00 0.00 C ATOM 512 CD1 TYR A 37 -15.770 -8.938 -0.734 1.00 0.00 C ATOM 513 CD2 TYR A 37 -15.586 -6.588 -1.087 1.00 0.00 C ATOM 514 CE1 TYR A 37 -16.772 -8.725 0.192 1.00 0.00 C ATOM 515 CE2 TYR A 37 -16.590 -6.368 -0.162 1.00 0.00 C ATOM 516 CZ TYR A 37 -17.179 -7.439 0.474 1.00 0.00 C ATOM 517 OH TYR A 37 -18.182 -7.227 1.393 1.00 0.00 O ATOM 0 H TYR A 37 -11.612 -8.877 -2.195 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.221 -10.190 -1.853 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -13.221 -7.458 -2.175 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.428 -7.826 -3.392 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.456 -9.948 -0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.126 -5.746 -1.583 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -17.235 -9.563 0.693 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -16.911 -5.361 0.061 1.00 0.00 H new ATOM 0 HH TYR A 37 -18.350 -6.265 1.478 1.00 0.00 H new ATOM 527 N ALA A 38 -12.658 -9.609 -4.696 1.00 0.00 N ATOM 528 CA ALA A 38 -12.574 -9.938 -6.120 1.00 0.00 C ATOM 529 C ALA A 38 -13.721 -9.301 -6.901 1.00 0.00 C ATOM 530 O ALA A 38 -14.776 -8.991 -6.342 1.00 0.00 O ATOM 531 CB ALA A 38 -12.534 -11.444 -6.336 1.00 0.00 C ATOM 0 H ALA A 38 -11.913 -8.990 -4.376 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.641 -9.523 -6.501 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.472 -11.657 -7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -11.662 -11.861 -5.831 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.439 -11.894 -5.928 1.00 0.00 H new ATOM 537 N GLY A 39 -13.481 -9.035 -8.176 1.00 0.00 N ATOM 538 CA GLY A 39 -14.467 -8.363 -9.002 1.00 0.00 C ATOM 539 C GLY A 39 -14.420 -6.861 -8.830 1.00 0.00 C ATOM 540 O GLY A 39 -14.562 -6.105 -9.793 1.00 0.00 O ATOM 0 H GLY A 39 -12.614 -9.274 -8.658 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.295 -8.614 -10.049 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -15.462 -8.726 -8.747 1.00 0.00 H new ATOM 544 N LYS A 40 -14.187 -6.432 -7.601 1.00 0.00 N ATOM 545 CA LYS A 40 -14.079 -5.023 -7.285 1.00 0.00 C ATOM 546 C LYS A 40 -12.622 -4.585 -7.340 1.00 0.00 C ATOM 547 O LYS A 40 -11.757 -5.196 -6.715 1.00 0.00 O ATOM 548 CB LYS A 40 -14.653 -4.740 -5.893 1.00 0.00 C ATOM 549 CG LYS A 40 -15.916 -5.524 -5.572 1.00 0.00 C ATOM 550 CD LYS A 40 -17.017 -4.616 -5.046 1.00 0.00 C ATOM 551 CE LYS A 40 -18.358 -4.929 -5.691 1.00 0.00 C ATOM 552 NZ LYS A 40 -18.292 -4.856 -7.173 1.00 0.00 N ATOM 0 H LYS A 40 -14.068 -7.050 -6.799 1.00 0.00 H new ATOM 0 HA LYS A 40 -14.651 -4.459 -8.022 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -13.895 -4.971 -5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -14.868 -3.675 -5.810 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.264 -6.038 -6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -15.691 -6.291 -4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -17.097 -4.730 -3.965 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -16.754 -3.576 -5.238 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -18.681 -5.926 -5.391 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.108 -4.228 -5.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.172 -4.441 -7.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -17.485 -4.263 -7.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.172 -5.813 -7.563 1.00 0.00 H new ATOM 566 N THR A 41 -12.365 -3.510 -8.058 1.00 0.00 N ATOM 567 CA THR A 41 -11.028 -2.955 -8.161 1.00 0.00 C ATOM 568 C THR A 41 -11.039 -1.510 -7.680 1.00 0.00 C ATOM 569 O THR A 41 -12.036 -0.816 -7.844 1.00 0.00 O ATOM 570 CB THR A 41 -10.527 -3.013 -9.615 1.00 0.00 C ATOM 571 OG1 THR A 41 -11.174 -4.092 -10.313 1.00 0.00 O ATOM 572 CG2 THR A 41 -9.018 -3.195 -9.666 1.00 0.00 C ATOM 0 H THR A 41 -13.073 -2.998 -8.585 1.00 0.00 H new ATOM 0 HA THR A 41 -10.355 -3.545 -7.538 1.00 0.00 H new ATOM 0 HB THR A 41 -10.774 -2.068 -10.099 1.00 0.00 H new ATOM 0 HG1 THR A 41 -10.852 -4.123 -11.238 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.691 -3.233 -10.705 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.533 -2.358 -9.163 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.747 -4.125 -9.166 1.00 0.00 H new ATOM 580 N CYS A 42 -9.968 -1.062 -7.046 1.00 0.00 N ATOM 581 CA CYS A 42 -9.937 0.295 -6.520 1.00 0.00 C ATOM 582 C CYS A 42 -8.550 0.907 -6.626 1.00 0.00 C ATOM 583 O CYS A 42 -7.655 0.591 -5.844 1.00 0.00 O ATOM 584 CB CYS A 42 -10.404 0.321 -5.067 1.00 0.00 C ATOM 585 SG CYS A 42 -10.313 1.973 -4.302 1.00 0.00 S ATOM 0 H CYS A 42 -9.121 -1.607 -6.884 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.619 0.892 -7.126 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -11.432 -0.037 -5.018 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.797 -0.373 -4.486 1.00 0.00 H new ATOM 590 N THR A 43 -8.395 1.828 -7.556 1.00 0.00 N ATOM 591 CA THR A 43 -7.140 2.535 -7.725 1.00 0.00 C ATOM 592 C THR A 43 -6.998 3.638 -6.679 1.00 0.00 C ATOM 593 O THR A 43 -7.783 4.587 -6.651 1.00 0.00 O ATOM 594 CB THR A 43 -7.047 3.133 -9.136 1.00 0.00 C ATOM 595 OG1 THR A 43 -7.366 2.125 -10.108 1.00 0.00 O ATOM 596 CG2 THR A 43 -5.660 3.687 -9.402 1.00 0.00 C ATOM 0 H THR A 43 -9.127 2.106 -8.210 1.00 0.00 H new ATOM 0 HA THR A 43 -6.327 1.822 -7.591 1.00 0.00 H new ATOM 0 HB THR A 43 -7.761 3.953 -9.212 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.368 1.245 -9.678 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.622 4.104 -10.408 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.435 4.468 -8.676 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.925 2.887 -9.313 1.00 0.00 H new ATOM 604 N LEU A 44 -6.037 3.476 -5.780 1.00 0.00 N ATOM 605 CA LEU A 44 -5.847 4.420 -4.690 1.00 0.00 C ATOM 606 C LEU A 44 -4.588 5.248 -4.893 1.00 0.00 C ATOM 607 O LEU A 44 -3.473 4.744 -4.746 1.00 0.00 O ATOM 608 CB LEU A 44 -5.757 3.679 -3.353 1.00 0.00 C ATOM 609 CG LEU A 44 -7.025 2.943 -2.929 1.00 0.00 C ATOM 610 CD1 LEU A 44 -6.693 1.855 -1.923 1.00 0.00 C ATOM 611 CD2 LEU A 44 -8.043 3.913 -2.346 1.00 0.00 C ATOM 0 H LEU A 44 -5.377 2.699 -5.785 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.707 5.089 -4.679 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.940 2.959 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.496 4.397 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.463 2.479 -3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.607 1.339 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.002 1.142 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.231 2.302 -1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.939 3.366 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.616 4.408 -1.474 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.304 4.660 -3.095 1.00 0.00 H new ATOM 623 N ARG A 45 -4.770 6.543 -5.095 1.00 0.00 N ATOM 624 CA ARG A 45 -3.652 7.467 -5.155 1.00 0.00 C ATOM 625 C ARG A 45 -3.197 7.787 -3.741 1.00 0.00 C ATOM 626 O ARG A 45 -3.767 8.654 -3.077 1.00 0.00 O ATOM 627 CB ARG A 45 -4.043 8.752 -5.890 1.00 0.00 C ATOM 628 CG ARG A 45 -2.879 9.707 -6.115 1.00 0.00 C ATOM 629 CD ARG A 45 -3.361 11.135 -6.315 1.00 0.00 C ATOM 630 NE ARG A 45 -3.873 11.356 -7.666 1.00 0.00 N ATOM 631 CZ ARG A 45 -4.768 12.295 -7.981 1.00 0.00 C ATOM 632 NH1 ARG A 45 -5.203 13.142 -7.053 1.00 0.00 N ATOM 633 NH2 ARG A 45 -5.210 12.396 -9.229 1.00 0.00 N ATOM 0 H ARG A 45 -5.684 6.978 -5.220 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.836 7.002 -5.708 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.478 8.490 -6.854 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.817 9.265 -5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.203 9.666 -5.261 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.309 9.389 -6.988 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.143 11.358 -5.590 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.540 11.825 -6.121 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.525 10.756 -8.414 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.853 13.075 -6.097 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.887 13.858 -7.297 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.866 11.757 -9.945 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.894 13.113 -9.471 1.00 0.00 H new ATOM 647 N ILE A 46 -2.283 6.979 -3.236 1.00 0.00 N ATOM 648 CA ILE A 46 -1.876 7.067 -1.849 1.00 0.00 C ATOM 649 C ILE A 46 -0.624 7.924 -1.685 1.00 0.00 C ATOM 650 O ILE A 46 0.475 7.532 -2.079 1.00 0.00 O ATOM 651 CB ILE A 46 -1.635 5.666 -1.244 1.00 0.00 C ATOM 652 CG1 ILE A 46 -0.848 4.778 -2.213 1.00 0.00 C ATOM 653 CG2 ILE A 46 -2.962 5.011 -0.898 1.00 0.00 C ATOM 654 CD1 ILE A 46 -0.324 3.505 -1.584 1.00 0.00 C ATOM 0 H ILE A 46 -1.807 6.252 -3.770 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.694 7.545 -1.309 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.046 5.785 -0.334 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.488 4.519 -3.056 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.009 5.347 -2.613 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.781 4.024 -0.472 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.494 5.627 -0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.565 4.912 -1.801 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.222 2.928 -2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.343 3.755 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.159 2.914 -1.209 1.00 0.00 H new ATOM 666 N LYS A 47 -0.793 9.075 -1.057 1.00 0.00 N ATOM 667 CA LYS A 47 0.319 9.965 -0.776 1.00 0.00 C ATOM 668 C LYS A 47 0.852 9.682 0.625 1.00 0.00 C ATOM 669 O LYS A 47 0.238 10.073 1.623 1.00 0.00 O ATOM 670 CB LYS A 47 -0.129 11.426 -0.881 1.00 0.00 C ATOM 671 CG LYS A 47 0.407 12.150 -2.104 1.00 0.00 C ATOM 672 CD LYS A 47 0.622 13.630 -1.825 1.00 0.00 C ATOM 673 CE LYS A 47 2.088 14.010 -1.954 1.00 0.00 C ATOM 674 NZ LYS A 47 2.668 14.443 -0.656 1.00 0.00 N ATOM 0 H LYS A 47 -1.697 9.416 -0.730 1.00 0.00 H new ATOM 0 HA LYS A 47 1.109 9.792 -1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.218 11.461 -0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.192 11.959 0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.349 11.696 -2.413 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.291 12.032 -2.933 1.00 0.00 H new ATOM 0 HD2 LYS A 47 0.028 14.223 -2.520 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.270 13.868 -0.821 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.651 13.158 -2.336 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.191 14.814 -2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.669 14.693 -0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.148 15.272 -0.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.594 13.668 0.033 1.00 0.00 H new ATOM 688 N LEU A 48 1.934 8.924 0.705 1.00 0.00 N ATOM 689 CA LEU A 48 2.468 8.512 1.993 1.00 0.00 C ATOM 690 C LEU A 48 3.394 9.568 2.572 1.00 0.00 C ATOM 691 O LEU A 48 4.215 10.152 1.864 1.00 0.00 O ATOM 692 CB LEU A 48 3.213 7.184 1.867 1.00 0.00 C ATOM 693 CG LEU A 48 2.427 5.955 2.317 1.00 0.00 C ATOM 694 CD1 LEU A 48 3.126 4.681 1.876 1.00 0.00 C ATOM 695 CD2 LEU A 48 2.238 5.973 3.824 1.00 0.00 C ATOM 0 H LEU A 48 2.457 8.583 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 48 1.624 8.386 2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.507 7.047 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.131 7.243 2.452 1.00 0.00 H new ATOM 0 HG LEU A 48 1.444 5.980 1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.550 3.817 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.208 4.668 0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.123 4.642 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.676 5.091 4.131 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.212 5.971 4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.690 6.870 4.111 1.00 0.00 H new ATOM 707 N ALA A 49 3.280 9.773 3.872 1.00 0.00 N ATOM 708 CA ALA A 49 4.129 10.711 4.583 1.00 0.00 C ATOM 709 C ALA A 49 5.309 9.981 5.216 1.00 0.00 C ATOM 710 O ALA A 49 5.233 8.775 5.460 1.00 0.00 O ATOM 711 CB ALA A 49 3.326 11.433 5.653 1.00 0.00 C ATOM 0 H ALA A 49 2.599 9.296 4.462 1.00 0.00 H new ATOM 0 HA ALA A 49 4.512 11.444 3.873 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.972 12.135 6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 49 2.504 11.976 5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.925 10.706 6.360 1.00 0.00 H new ATOM 717 N PRO A 50 6.401 10.706 5.528 1.00 0.00 N ATOM 718 CA PRO A 50 7.588 10.127 6.180 1.00 0.00 C ATOM 719 C PRO A 50 7.252 9.430 7.496 1.00 0.00 C ATOM 720 O PRO A 50 7.992 8.564 7.965 1.00 0.00 O ATOM 721 CB PRO A 50 8.485 11.338 6.453 1.00 0.00 C ATOM 722 CG PRO A 50 8.023 12.387 5.503 1.00 0.00 C ATOM 723 CD PRO A 50 6.554 12.157 5.304 1.00 0.00 C ATOM 0 HA PRO A 50 8.050 9.364 5.553 1.00 0.00 H new ATOM 0 HB2 PRO A 50 8.391 11.673 7.486 1.00 0.00 H new ATOM 0 HB3 PRO A 50 9.535 11.095 6.291 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.210 13.384 5.903 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.559 12.318 4.557 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.958 12.737 6.008 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.234 12.445 4.302 1.00 0.00 H new ATOM 731 N ASP A 51 6.147 9.842 8.100 1.00 0.00 N ATOM 732 CA ASP A 51 5.709 9.300 9.381 1.00 0.00 C ATOM 733 C ASP A 51 5.112 7.904 9.213 1.00 0.00 C ATOM 734 O ASP A 51 4.827 7.220 10.197 1.00 0.00 O ATOM 735 CB ASP A 51 4.667 10.225 10.022 1.00 0.00 C ATOM 736 CG ASP A 51 5.009 11.695 9.882 1.00 0.00 C ATOM 737 OD1 ASP A 51 4.814 12.257 8.782 1.00 0.00 O ATOM 738 OD2 ASP A 51 5.470 12.298 10.871 1.00 0.00 O ATOM 0 H ASP A 51 5.530 10.559 7.719 1.00 0.00 H new ATOM 0 HA ASP A 51 6.583 9.231 10.029 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.695 10.039 9.565 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.574 9.979 11.080 1.00 0.00 H new ATOM 743 N GLY A 52 4.910 7.488 7.968 1.00 0.00 N ATOM 744 CA GLY A 52 4.331 6.185 7.704 1.00 0.00 C ATOM 745 C GLY A 52 2.818 6.221 7.759 1.00 0.00 C ATOM 746 O GLY A 52 2.182 5.361 8.373 1.00 0.00 O ATOM 0 H GLY A 52 5.138 8.031 7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.651 5.837 6.722 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.704 5.467 8.434 1.00 0.00 H new ATOM 750 N MET A 53 2.245 7.243 7.136 1.00 0.00 N ATOM 751 CA MET A 53 0.802 7.434 7.121 1.00 0.00 C ATOM 752 C MET A 53 0.394 8.155 5.847 1.00 0.00 C ATOM 753 O MET A 53 1.110 9.033 5.375 1.00 0.00 O ATOM 754 CB MET A 53 0.350 8.236 8.347 1.00 0.00 C ATOM 755 CG MET A 53 1.131 9.525 8.565 1.00 0.00 C ATOM 756 SD MET A 53 0.118 10.846 9.262 1.00 0.00 S ATOM 757 CE MET A 53 1.288 12.204 9.281 1.00 0.00 C ATOM 0 H MET A 53 2.765 7.959 6.629 1.00 0.00 H new ATOM 0 HA MET A 53 0.319 6.457 7.153 1.00 0.00 H new ATOM 0 HB2 MET A 53 -0.708 8.477 8.241 1.00 0.00 H new ATOM 0 HB3 MET A 53 0.447 7.610 9.234 1.00 0.00 H new ATOM 0 HG2 MET A 53 1.971 9.327 9.231 1.00 0.00 H new ATOM 0 HG3 MET A 53 1.549 9.857 7.614 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.806 13.094 9.687 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.143 11.939 9.902 1.00 0.00 H new ATOM 0 HE3 MET A 53 1.627 12.407 8.265 1.00 0.00 H new ATOM 767 N LEU A 54 -0.743 7.776 5.285 1.00 0.00 N ATOM 768 CA LEU A 54 -1.217 8.393 4.055 1.00 0.00 C ATOM 769 C LEU A 54 -2.061 9.615 4.372 1.00 0.00 C ATOM 770 O LEU A 54 -3.228 9.489 4.750 1.00 0.00 O ATOM 771 CB LEU A 54 -2.034 7.401 3.218 1.00 0.00 C ATOM 772 CG LEU A 54 -1.794 5.924 3.527 1.00 0.00 C ATOM 773 CD1 LEU A 54 -3.110 5.220 3.807 1.00 0.00 C ATOM 774 CD2 LEU A 54 -1.068 5.250 2.375 1.00 0.00 C ATOM 0 H LEU A 54 -1.352 7.048 5.658 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.346 8.697 3.475 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.093 7.617 3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.814 7.574 2.165 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.168 5.856 4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.921 4.169 4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.597 5.686 4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.758 5.299 2.934 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.906 4.199 2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.670 5.329 1.470 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.107 5.739 2.215 1.00 0.00 H new ATOM 786 N LEU A 55 -1.469 10.794 4.229 1.00 0.00 N ATOM 787 CA LEU A 55 -2.179 12.038 4.508 1.00 0.00 C ATOM 788 C LEU A 55 -3.213 12.308 3.428 1.00 0.00 C ATOM 789 O LEU A 55 -4.324 12.760 3.714 1.00 0.00 O ATOM 790 CB LEU A 55 -1.224 13.236 4.613 1.00 0.00 C ATOM 791 CG LEU A 55 0.199 13.020 4.084 1.00 0.00 C ATOM 792 CD1 LEU A 55 0.257 13.244 2.579 1.00 0.00 C ATOM 793 CD2 LEU A 55 1.164 13.953 4.795 1.00 0.00 C ATOM 0 H LEU A 55 -0.504 10.916 3.923 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.674 11.916 5.472 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.666 14.074 4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.158 13.530 5.660 1.00 0.00 H new ATOM 0 HG LEU A 55 0.490 11.989 4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.276 13.085 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.413 12.543 2.081 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.051 14.264 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.172 13.793 4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.868 14.987 4.617 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.145 13.749 5.866 1.00 0.00 H new ATOM 805 N ASP A 56 -2.863 11.977 2.194 1.00 0.00 N ATOM 806 CA ASP A 56 -3.784 12.132 1.079 1.00 0.00 C ATOM 807 C ASP A 56 -3.973 10.807 0.360 1.00 0.00 C ATOM 808 O ASP A 56 -3.162 10.420 -0.480 1.00 0.00 O ATOM 809 CB ASP A 56 -3.286 13.194 0.096 1.00 0.00 C ATOM 810 CG ASP A 56 -4.416 13.793 -0.721 1.00 0.00 C ATOM 811 OD1 ASP A 56 -5.350 14.371 -0.117 1.00 0.00 O ATOM 812 OD2 ASP A 56 -4.384 13.689 -1.965 1.00 0.00 O ATOM 0 H ASP A 56 -1.950 11.600 1.940 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.743 12.459 1.480 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.778 13.986 0.646 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.551 12.750 -0.575 1.00 0.00 H new ATOM 817 N ILE A 57 -5.072 10.141 0.658 1.00 0.00 N ATOM 818 CA ILE A 57 -5.405 8.892 0.001 1.00 0.00 C ATOM 819 C ILE A 57 -6.629 9.106 -0.883 1.00 0.00 C ATOM 820 O ILE A 57 -7.719 9.411 -0.395 1.00 0.00 O ATOM 821 CB ILE A 57 -5.648 7.751 1.022 1.00 0.00 C ATOM 822 CG1 ILE A 57 -6.237 6.518 0.329 1.00 0.00 C ATOM 823 CG2 ILE A 57 -6.547 8.212 2.164 1.00 0.00 C ATOM 824 CD1 ILE A 57 -6.019 5.231 1.096 1.00 0.00 C ATOM 0 H ILE A 57 -5.752 10.446 1.354 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.560 8.584 -0.615 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.684 7.475 1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.307 6.669 0.185 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.792 6.421 -0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.698 7.389 2.863 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.077 9.047 2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.510 8.530 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.462 4.400 0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.950 5.057 1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.488 5.308 2.077 1.00 0.00 H new ATOM 836 N LYS A 58 -6.397 9.147 -2.183 1.00 0.00 N ATOM 837 CA LYS A 58 -7.435 9.550 -3.120 1.00 0.00 C ATOM 838 C LYS A 58 -7.852 8.397 -4.026 1.00 0.00 C ATOM 839 O LYS A 58 -7.053 7.902 -4.818 1.00 0.00 O ATOM 840 CB LYS A 58 -6.944 10.722 -3.971 1.00 0.00 C ATOM 841 CG LYS A 58 -8.061 11.621 -4.475 1.00 0.00 C ATOM 842 CD LYS A 58 -7.644 13.081 -4.467 1.00 0.00 C ATOM 843 CE LYS A 58 -7.810 13.700 -3.092 1.00 0.00 C ATOM 844 NZ LYS A 58 -6.728 14.673 -2.788 1.00 0.00 N ATOM 0 H LYS A 58 -5.504 8.908 -2.614 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.306 9.855 -2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.246 11.319 -3.384 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.390 10.332 -4.825 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.339 11.326 -5.487 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.945 11.490 -3.851 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.604 13.165 -4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.242 13.635 -5.191 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.776 14.201 -3.034 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.813 12.913 -2.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.868 15.061 -1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.806 14.193 -2.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.751 15.447 -3.483 1.00 0.00 H new ATOM 858 N PRO A 59 -9.132 8.013 -3.981 1.00 0.00 N ATOM 859 CA PRO A 59 -9.678 6.988 -4.862 1.00 0.00 C ATOM 860 C PRO A 59 -9.796 7.499 -6.296 1.00 0.00 C ATOM 861 O PRO A 59 -10.601 8.388 -6.586 1.00 0.00 O ATOM 862 CB PRO A 59 -11.071 6.695 -4.282 1.00 0.00 C ATOM 863 CG PRO A 59 -11.167 7.485 -3.015 1.00 0.00 C ATOM 864 CD PRO A 59 -10.172 8.602 -3.132 1.00 0.00 C ATOM 0 HA PRO A 59 -9.042 6.104 -4.906 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.854 6.985 -4.983 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.196 5.630 -4.088 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.175 7.876 -2.878 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -10.947 6.859 -2.150 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -10.611 9.491 -3.586 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -9.781 8.901 -2.159 1.00 0.00 H new ATOM 872 N GLU A 60 -8.971 6.956 -7.179 1.00 0.00 N ATOM 873 CA GLU A 60 -8.960 7.369 -8.574 1.00 0.00 C ATOM 874 C GLU A 60 -10.186 6.825 -9.293 1.00 0.00 C ATOM 875 O GLU A 60 -10.912 7.564 -9.959 1.00 0.00 O ATOM 876 CB GLU A 60 -7.685 6.881 -9.267 1.00 0.00 C ATOM 877 CG GLU A 60 -6.444 7.689 -8.916 1.00 0.00 C ATOM 878 CD GLU A 60 -5.264 7.364 -9.810 1.00 0.00 C ATOM 879 OE1 GLU A 60 -5.481 7.021 -10.993 1.00 0.00 O ATOM 880 OE2 GLU A 60 -4.112 7.452 -9.340 1.00 0.00 O ATOM 0 H GLU A 60 -8.297 6.225 -6.952 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.982 8.458 -8.612 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.515 5.838 -9.000 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.835 6.914 -10.346 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -6.673 8.752 -8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.172 7.498 -7.878 1.00 0.00 H new ATOM 887 N GLY A 61 -10.434 5.535 -9.126 1.00 0.00 N ATOM 888 CA GLY A 61 -11.598 4.931 -9.732 1.00 0.00 C ATOM 889 C GLY A 61 -11.622 3.429 -9.566 1.00 0.00 C ATOM 890 O GLY A 61 -10.650 2.836 -9.095 1.00 0.00 O ATOM 0 H GLY A 61 -9.851 4.898 -8.583 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -12.498 5.357 -9.288 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.620 5.177 -10.794 1.00 0.00 H new ATOM 894 N GLY A 62 -12.728 2.817 -9.966 1.00 0.00 N ATOM 895 CA GLY A 62 -12.853 1.380 -9.873 1.00 0.00 C ATOM 896 C GLY A 62 -14.189 0.951 -9.308 1.00 0.00 C ATOM 897 O GLY A 62 -15.136 0.698 -10.054 1.00 0.00 O ATOM 0 H GLY A 62 -13.542 3.293 -10.354 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -12.723 0.942 -10.863 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -12.053 0.989 -9.244 1.00 0.00 H new ATOM 901 N ASP A 63 -14.247 0.804 -7.996 1.00 0.00 N ATOM 902 CA ASP A 63 -15.451 0.330 -7.325 1.00 0.00 C ATOM 903 C ASP A 63 -15.624 1.042 -5.996 1.00 0.00 C ATOM 904 O ASP A 63 -14.830 0.844 -5.079 1.00 0.00 O ATOM 905 CB ASP A 63 -15.366 -1.176 -7.082 1.00 0.00 C ATOM 906 CG ASP A 63 -16.660 -1.893 -7.406 1.00 0.00 C ATOM 907 OD1 ASP A 63 -17.735 -1.396 -7.011 1.00 0.00 O ATOM 908 OD2 ASP A 63 -16.607 -2.967 -8.044 1.00 0.00 O ATOM 0 H ASP A 63 -13.470 1.007 -7.368 1.00 0.00 H new ATOM 0 HA ASP A 63 -16.307 0.543 -7.965 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -14.562 -1.593 -7.689 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -15.106 -1.358 -6.039 1.00 0.00 H new ATOM 913 N PRO A 64 -16.659 1.884 -5.873 1.00 0.00 N ATOM 914 CA PRO A 64 -16.931 2.642 -4.644 1.00 0.00 C ATOM 915 C PRO A 64 -17.081 1.734 -3.425 1.00 0.00 C ATOM 916 O PRO A 64 -16.672 2.088 -2.317 1.00 0.00 O ATOM 917 CB PRO A 64 -18.251 3.360 -4.943 1.00 0.00 C ATOM 918 CG PRO A 64 -18.327 3.417 -6.430 1.00 0.00 C ATOM 919 CD PRO A 64 -17.645 2.175 -6.929 1.00 0.00 C ATOM 0 HA PRO A 64 -16.113 3.319 -4.398 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -19.099 2.818 -4.524 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.265 4.359 -4.508 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -19.363 3.455 -6.766 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.835 4.312 -6.812 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.350 1.354 -7.059 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.165 2.339 -7.894 1.00 0.00 H new ATOM 927 N ALA A 65 -17.656 0.553 -3.643 1.00 0.00 N ATOM 928 CA ALA A 65 -17.854 -0.422 -2.576 1.00 0.00 C ATOM 929 C ALA A 65 -16.524 -0.853 -1.966 1.00 0.00 C ATOM 930 O ALA A 65 -16.417 -1.047 -0.755 1.00 0.00 O ATOM 931 CB ALA A 65 -18.602 -1.633 -3.105 1.00 0.00 C ATOM 0 H ALA A 65 -17.994 0.248 -4.556 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.447 0.052 -1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -18.744 -2.354 -2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -19.574 -1.322 -3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.026 -2.094 -3.907 1.00 0.00 H new ATOM 937 N LEU A 66 -15.513 -0.988 -2.813 1.00 0.00 N ATOM 938 CA LEU A 66 -14.190 -1.383 -2.354 1.00 0.00 C ATOM 939 C LEU A 66 -13.375 -0.160 -1.948 1.00 0.00 C ATOM 940 O LEU A 66 -12.603 -0.213 -0.997 1.00 0.00 O ATOM 941 CB LEU A 66 -13.451 -2.172 -3.445 1.00 0.00 C ATOM 942 CG LEU A 66 -12.288 -3.038 -2.944 1.00 0.00 C ATOM 943 CD1 LEU A 66 -12.810 -4.267 -2.214 1.00 0.00 C ATOM 944 CD2 LEU A 66 -11.391 -3.448 -4.102 1.00 0.00 C ATOM 0 H LEU A 66 -15.584 -0.830 -3.818 1.00 0.00 H new ATOM 0 HA LEU A 66 -14.312 -2.026 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.168 -2.814 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.068 -1.469 -4.185 1.00 0.00 H new ATOM 0 HG LEU A 66 -11.699 -2.447 -2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.970 -4.868 -1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.411 -3.955 -1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -13.424 -4.860 -2.892 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.572 -4.062 -3.728 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.971 -4.020 -4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.987 -2.557 -4.582 1.00 0.00 H new ATOM 956 N CYS A 67 -13.494 0.905 -2.729 1.00 0.00 N ATOM 957 CA CYS A 67 -12.707 2.112 -2.527 1.00 0.00 C ATOM 958 C CYS A 67 -12.957 2.744 -1.162 1.00 0.00 C ATOM 959 O CYS A 67 -12.014 3.021 -0.422 1.00 0.00 O ATOM 960 CB CYS A 67 -13.013 3.118 -3.636 1.00 0.00 C ATOM 961 SG CYS A 67 -11.904 2.972 -5.070 1.00 0.00 S ATOM 0 H CYS A 67 -14.138 0.956 -3.519 1.00 0.00 H new ATOM 0 HA CYS A 67 -11.655 1.829 -2.563 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -14.042 2.981 -3.967 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -12.940 4.127 -3.231 1.00 0.00 H new ATOM 966 N GLN A 68 -14.217 3.032 -0.856 1.00 0.00 N ATOM 967 CA GLN A 68 -14.563 3.707 0.391 1.00 0.00 C ATOM 968 C GLN A 68 -14.166 2.873 1.606 1.00 0.00 C ATOM 969 O GLN A 68 -13.813 3.417 2.654 1.00 0.00 O ATOM 970 CB GLN A 68 -16.057 4.022 0.431 1.00 0.00 C ATOM 971 CG GLN A 68 -16.383 5.460 0.062 1.00 0.00 C ATOM 972 CD GLN A 68 -16.621 5.647 -1.427 1.00 0.00 C ATOM 973 OE1 GLN A 68 -16.042 4.946 -2.259 1.00 0.00 O ATOM 974 NE2 GLN A 68 -17.470 6.602 -1.774 1.00 0.00 N ATOM 0 H GLN A 68 -15.014 2.810 -1.452 1.00 0.00 H new ATOM 0 HA GLN A 68 -14.003 4.641 0.428 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -16.580 3.352 -0.252 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -16.437 3.817 1.432 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.270 5.779 0.610 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -15.564 6.106 0.378 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.930 7.161 -1.056 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.664 6.778 -2.760 1.00 0.00 H new ATOM 983 N ALA A 69 -14.173 1.558 1.445 1.00 0.00 N ATOM 984 CA ALA A 69 -13.763 0.658 2.510 1.00 0.00 C ATOM 985 C ALA A 69 -12.241 0.605 2.621 1.00 0.00 C ATOM 986 O ALA A 69 -11.684 0.647 3.720 1.00 0.00 O ATOM 987 CB ALA A 69 -14.330 -0.731 2.266 1.00 0.00 C ATOM 0 H ALA A 69 -14.459 1.091 0.585 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.156 1.037 3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -14.017 -1.398 3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.418 -0.680 2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.961 -1.112 1.314 1.00 0.00 H new ATOM 993 N ALA A 70 -11.573 0.511 1.472 1.00 0.00 N ATOM 994 CA ALA A 70 -10.116 0.442 1.424 1.00 0.00 C ATOM 995 C ALA A 70 -9.479 1.700 2.001 1.00 0.00 C ATOM 996 O ALA A 70 -8.383 1.643 2.559 1.00 0.00 O ATOM 997 CB ALA A 70 -9.639 0.218 -0.003 1.00 0.00 C ATOM 0 H ALA A 70 -12.023 0.481 0.557 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.805 -0.404 2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.550 0.169 -0.019 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.050 -0.718 -0.381 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.975 1.042 -0.632 1.00 0.00 H new ATOM 1003 N LEU A 71 -10.189 2.821 1.891 1.00 0.00 N ATOM 1004 CA LEU A 71 -9.716 4.092 2.433 1.00 0.00 C ATOM 1005 C LEU A 71 -9.382 3.954 3.913 1.00 0.00 C ATOM 1006 O LEU A 71 -8.335 4.407 4.369 1.00 0.00 O ATOM 1007 CB LEU A 71 -10.775 5.185 2.253 1.00 0.00 C ATOM 1008 CG LEU A 71 -11.040 5.619 0.810 1.00 0.00 C ATOM 1009 CD1 LEU A 71 -12.186 6.616 0.760 1.00 0.00 C ATOM 1010 CD2 LEU A 71 -9.791 6.217 0.188 1.00 0.00 C ATOM 0 H LEU A 71 -11.097 2.874 1.430 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.816 4.372 1.886 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.712 4.833 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.469 6.060 2.826 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.319 4.737 0.234 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.363 6.916 -0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.087 6.155 1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.931 7.494 1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.004 6.518 -0.838 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.479 7.088 0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.993 5.475 0.190 1.00 0.00 H new ATOM 1022 N ALA A 72 -10.265 3.297 4.649 1.00 0.00 N ATOM 1023 CA ALA A 72 -10.056 3.075 6.068 1.00 0.00 C ATOM 1024 C ALA A 72 -9.077 1.930 6.305 1.00 0.00 C ATOM 1025 O ALA A 72 -8.247 1.991 7.206 1.00 0.00 O ATOM 1026 CB ALA A 72 -11.383 2.791 6.752 1.00 0.00 C ATOM 0 H ALA A 72 -11.135 2.908 4.284 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.624 3.979 6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.216 2.626 7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.051 3.642 6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.835 1.902 6.313 1.00 0.00 H new ATOM 1032 N ALA A 73 -9.214 0.868 5.519 1.00 0.00 N ATOM 1033 CA ALA A 73 -8.382 -0.320 5.676 1.00 0.00 C ATOM 1034 C ALA A 73 -6.897 0.003 5.555 1.00 0.00 C ATOM 1035 O ALA A 73 -6.096 -0.420 6.386 1.00 0.00 O ATOM 1036 CB ALA A 73 -8.767 -1.375 4.652 1.00 0.00 C ATOM 0 H ALA A 73 -9.896 0.805 4.763 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.557 -0.707 6.680 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -8.137 -2.255 4.782 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.812 -1.653 4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.628 -0.975 3.648 1.00 0.00 H new ATOM 1042 N ALA A 74 -6.531 0.717 4.496 1.00 0.00 N ATOM 1043 CA ALA A 74 -5.134 1.046 4.240 1.00 0.00 C ATOM 1044 C ALA A 74 -4.599 2.047 5.261 1.00 0.00 C ATOM 1045 O ALA A 74 -3.405 2.070 5.556 1.00 0.00 O ATOM 1046 CB ALA A 74 -4.975 1.588 2.830 1.00 0.00 C ATOM 0 H ALA A 74 -7.183 1.079 3.801 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.549 0.131 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.928 1.831 2.649 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.302 0.836 2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -5.581 2.487 2.715 1.00 0.00 H new ATOM 1052 N LYS A 75 -5.494 2.858 5.810 1.00 0.00 N ATOM 1053 CA LYS A 75 -5.116 3.847 6.813 1.00 0.00 C ATOM 1054 C LYS A 75 -4.940 3.195 8.179 1.00 0.00 C ATOM 1055 O LYS A 75 -4.249 3.726 9.047 1.00 0.00 O ATOM 1056 CB LYS A 75 -6.174 4.950 6.900 1.00 0.00 C ATOM 1057 CG LYS A 75 -6.012 6.036 5.852 1.00 0.00 C ATOM 1058 CD LYS A 75 -5.808 7.400 6.484 1.00 0.00 C ATOM 1059 CE LYS A 75 -7.132 8.105 6.724 1.00 0.00 C ATOM 1060 NZ LYS A 75 -6.933 9.465 7.290 1.00 0.00 N ATOM 0 H LYS A 75 -6.487 2.851 5.578 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.165 4.286 6.511 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.162 4.502 6.796 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.132 5.404 7.890 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.161 5.800 5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.895 6.059 5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.277 7.289 7.429 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.181 8.012 5.836 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.682 8.178 5.785 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.742 7.512 7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.857 9.917 7.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.430 9.393 8.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.372 10.038 6.628 1.00 0.00 H new ATOM 1074 N LEU A 76 -5.614 2.073 8.378 1.00 0.00 N ATOM 1075 CA LEU A 76 -5.584 1.372 9.655 1.00 0.00 C ATOM 1076 C LEU A 76 -4.522 0.280 9.650 1.00 0.00 C ATOM 1077 O LEU A 76 -4.142 -0.237 10.705 1.00 0.00 O ATOM 1078 CB LEU A 76 -6.949 0.749 9.941 1.00 0.00 C ATOM 1079 CG LEU A 76 -7.824 1.506 10.937 1.00 0.00 C ATOM 1080 CD1 LEU A 76 -8.262 2.842 10.358 1.00 0.00 C ATOM 1081 CD2 LEU A 76 -9.035 0.667 11.316 1.00 0.00 C ATOM 0 H LEU A 76 -6.192 1.625 7.667 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.340 2.095 10.433 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.493 0.661 9.000 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.795 -0.263 10.316 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.238 1.699 11.836 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.885 3.366 11.083 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.383 3.446 10.131 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -8.832 2.673 9.445 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.651 1.218 12.027 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.620 0.448 10.423 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.703 -0.266 11.771 1.00 0.00 H new ATOM 1093 N ALA A 77 -4.119 -0.125 8.452 1.00 0.00 N ATOM 1094 CA ALA A 77 -3.180 -1.225 8.281 1.00 0.00 C ATOM 1095 C ALA A 77 -1.806 -0.886 8.849 1.00 0.00 C ATOM 1096 O ALA A 77 -1.449 0.285 8.997 1.00 0.00 O ATOM 1097 CB ALA A 77 -3.066 -1.589 6.809 1.00 0.00 C ATOM 0 H ALA A 77 -4.432 0.297 7.578 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.564 -2.081 8.836 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.362 -2.412 6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.043 -1.891 6.432 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.711 -0.725 6.247 1.00 0.00 H new ATOM 1103 N LYS A 78 -1.032 -1.919 9.150 1.00 0.00 N ATOM 1104 CA LYS A 78 0.308 -1.744 9.683 1.00 0.00 C ATOM 1105 C LYS A 78 1.290 -1.402 8.569 1.00 0.00 C ATOM 1106 O LYS A 78 2.115 -2.226 8.172 1.00 0.00 O ATOM 1107 CB LYS A 78 0.756 -3.011 10.418 1.00 0.00 C ATOM 1108 CG LYS A 78 1.407 -2.737 11.763 1.00 0.00 C ATOM 1109 CD LYS A 78 0.481 -1.956 12.684 1.00 0.00 C ATOM 1110 CE LYS A 78 1.011 -1.925 14.109 1.00 0.00 C ATOM 1111 NZ LYS A 78 0.298 -2.890 14.988 1.00 0.00 N ATOM 0 H LYS A 78 -1.313 -2.892 9.033 1.00 0.00 H new ATOM 0 HA LYS A 78 0.291 -0.915 10.391 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.108 -3.659 10.567 1.00 0.00 H new ATOM 0 HB3 LYS A 78 1.459 -3.557 9.788 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.680 -3.681 12.235 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.330 -2.177 11.614 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.371 -0.937 12.313 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.511 -2.408 12.673 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.076 -2.156 14.105 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.905 -0.919 14.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.689 -2.838 15.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.715 -2.654 15.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.420 -3.854 14.617 1.00 0.00 H new ATOM 1125 N ILE A 79 1.203 -0.173 8.088 1.00 0.00 N ATOM 1126 CA ILE A 79 2.093 0.308 7.045 1.00 0.00 C ATOM 1127 C ILE A 79 3.459 0.619 7.639 1.00 0.00 C ATOM 1128 O ILE A 79 3.570 1.423 8.567 1.00 0.00 O ATOM 1129 CB ILE A 79 1.528 1.570 6.358 1.00 0.00 C ATOM 1130 CG1 ILE A 79 0.049 1.376 5.996 1.00 0.00 C ATOM 1131 CG2 ILE A 79 2.342 1.914 5.117 1.00 0.00 C ATOM 1132 CD1 ILE A 79 -0.202 0.260 4.997 1.00 0.00 C ATOM 0 H ILE A 79 0.520 0.514 8.406 1.00 0.00 H new ATOM 0 HA ILE A 79 2.185 -0.475 6.293 1.00 0.00 H new ATOM 0 HB ILE A 79 1.601 2.401 7.059 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.513 1.168 6.907 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.340 2.309 5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.929 2.806 4.646 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.378 2.100 5.401 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.303 1.082 4.414 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.270 0.187 4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.330 0.475 4.070 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.154 -0.684 5.409 1.00 0.00 H new ATOM 1144 N PRO A 80 4.510 -0.055 7.154 1.00 0.00 N ATOM 1145 CA PRO A 80 5.865 0.114 7.679 1.00 0.00 C ATOM 1146 C PRO A 80 6.397 1.527 7.466 1.00 0.00 C ATOM 1147 O PRO A 80 5.825 2.312 6.710 1.00 0.00 O ATOM 1148 CB PRO A 80 6.700 -0.888 6.870 1.00 0.00 C ATOM 1149 CG PRO A 80 5.716 -1.853 6.306 1.00 0.00 C ATOM 1150 CD PRO A 80 4.451 -1.074 6.096 1.00 0.00 C ATOM 0 HA PRO A 80 5.900 -0.052 8.756 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.258 -0.387 6.079 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.429 -1.394 7.503 1.00 0.00 H new ATOM 0 HG2 PRO A 80 6.076 -2.274 5.367 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.552 -2.688 6.988 1.00 0.00 H new ATOM 0 HD2 PRO A 80 4.414 -0.624 5.104 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.568 -1.705 6.193 1.00 0.00 H new ATOM 1158 N LYS A 81 7.539 1.811 8.061 1.00 0.00 N ATOM 1159 CA LYS A 81 8.207 3.083 7.857 1.00 0.00 C ATOM 1160 C LYS A 81 9.175 2.966 6.690 1.00 0.00 C ATOM 1161 O LYS A 81 9.887 1.965 6.583 1.00 0.00 O ATOM 1162 CB LYS A 81 8.960 3.496 9.126 1.00 0.00 C ATOM 1163 CG LYS A 81 9.026 5.000 9.336 1.00 0.00 C ATOM 1164 CD LYS A 81 7.702 5.556 9.831 1.00 0.00 C ATOM 1165 CE LYS A 81 7.480 5.252 11.304 1.00 0.00 C ATOM 1166 NZ LYS A 81 6.035 5.168 11.639 1.00 0.00 N ATOM 0 H LYS A 81 8.026 1.175 8.693 1.00 0.00 H new ATOM 0 HA LYS A 81 7.462 3.846 7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.477 3.038 9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.974 3.100 9.081 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.811 5.233 10.056 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.298 5.487 8.399 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.679 6.634 9.674 1.00 0.00 H new ATOM 0 HD3 LYS A 81 6.887 5.131 9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 81 7.967 4.311 11.558 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.949 6.027 11.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.908 5.299 12.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.516 5.910 11.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.668 4.235 11.361 1.00 0.00 H new ATOM 1180 N PRO A 82 9.182 3.963 5.783 1.00 0.00 N ATOM 1181 CA PRO A 82 10.038 3.964 4.589 1.00 0.00 C ATOM 1182 C PRO A 82 11.472 3.525 4.888 1.00 0.00 C ATOM 1183 O PRO A 82 12.195 4.197 5.630 1.00 0.00 O ATOM 1184 CB PRO A 82 10.012 5.429 4.159 1.00 0.00 C ATOM 1185 CG PRO A 82 8.665 5.909 4.568 1.00 0.00 C ATOM 1186 CD PRO A 82 8.316 5.160 5.830 1.00 0.00 C ATOM 0 HA PRO A 82 9.686 3.264 3.832 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.802 6.000 4.646 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.161 5.531 3.084 1.00 0.00 H new ATOM 0 HG2 PRO A 82 8.672 6.985 4.743 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.930 5.718 3.786 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.512 5.760 6.718 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.261 4.889 5.855 1.00 0.00 H new ATOM 1194 N PRO A 83 11.872 2.345 4.382 1.00 0.00 N ATOM 1195 CA PRO A 83 13.191 1.768 4.663 1.00 0.00 C ATOM 1196 C PRO A 83 14.330 2.641 4.133 1.00 0.00 C ATOM 1197 O PRO A 83 15.099 3.213 4.907 1.00 0.00 O ATOM 1198 CB PRO A 83 13.164 0.409 3.946 1.00 0.00 C ATOM 1199 CG PRO A 83 12.031 0.488 2.980 1.00 0.00 C ATOM 1200 CD PRO A 83 11.037 1.445 3.571 1.00 0.00 C ATOM 0 HA PRO A 83 13.375 1.683 5.734 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.106 0.219 3.431 1.00 0.00 H new ATOM 0 HB3 PRO A 83 13.018 -0.406 4.655 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.374 0.837 2.006 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.582 -0.493 2.827 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.494 1.988 2.798 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.294 0.929 4.179 1.00 0.00 H new ATOM 1208 N SER A 84 14.417 2.764 2.819 1.00 0.00 N ATOM 1209 CA SER A 84 15.441 3.588 2.204 1.00 0.00 C ATOM 1210 C SER A 84 14.825 4.845 1.592 1.00 0.00 C ATOM 1211 O SER A 84 13.618 5.081 1.713 1.00 0.00 O ATOM 1212 CB SER A 84 16.191 2.784 1.142 1.00 0.00 C ATOM 1213 OG SER A 84 16.077 1.389 1.387 1.00 0.00 O ATOM 0 H SER A 84 13.791 2.303 2.159 1.00 0.00 H new ATOM 0 HA SER A 84 16.149 3.898 2.973 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.792 3.018 0.155 1.00 0.00 H new ATOM 0 HB3 SER A 84 17.242 3.072 1.138 1.00 0.00 H new ATOM 0 HG SER A 84 15.139 1.118 1.306 1.00 0.00 H new ATOM 1219 N GLN A 85 15.664 5.677 0.985 1.00 0.00 N ATOM 1220 CA GLN A 85 15.213 6.940 0.408 1.00 0.00 C ATOM 1221 C GLN A 85 14.401 6.704 -0.862 1.00 0.00 C ATOM 1222 O GLN A 85 13.661 7.583 -1.304 1.00 0.00 O ATOM 1223 CB GLN A 85 16.409 7.851 0.110 1.00 0.00 C ATOM 1224 CG GLN A 85 17.544 7.153 -0.618 1.00 0.00 C ATOM 1225 CD GLN A 85 18.097 7.982 -1.760 1.00 0.00 C ATOM 1226 OE1 GLN A 85 17.817 7.713 -2.927 1.00 0.00 O ATOM 1227 NE2 GLN A 85 18.878 9.000 -1.432 1.00 0.00 N ATOM 0 H GLN A 85 16.663 5.500 0.879 1.00 0.00 H new ATOM 0 HA GLN A 85 14.569 7.431 1.138 1.00 0.00 H new ATOM 0 HB2 GLN A 85 16.070 8.696 -0.490 1.00 0.00 H new ATOM 0 HB3 GLN A 85 16.787 8.258 1.048 1.00 0.00 H new ATOM 0 HG2 GLN A 85 18.344 6.934 0.089 1.00 0.00 H new ATOM 0 HG3 GLN A 85 17.190 6.197 -1.005 1.00 0.00 H new ATOM 0 HE21 GLN A 85 19.085 9.188 -0.451 1.00 0.00 H new ATOM 0 HE22 GLN A 85 19.272 9.596 -2.160 1.00 0.00 H new ATOM 1236 N ALA A 86 14.512 5.502 -1.423 1.00 0.00 N ATOM 1237 CA ALA A 86 13.755 5.146 -2.615 1.00 0.00 C ATOM 1238 C ALA A 86 12.259 5.169 -2.323 1.00 0.00 C ATOM 1239 O ALA A 86 11.510 5.929 -2.935 1.00 0.00 O ATOM 1240 CB ALA A 86 14.182 3.780 -3.129 1.00 0.00 C ATOM 0 H ALA A 86 15.118 4.761 -1.070 1.00 0.00 H new ATOM 0 HA ALA A 86 13.964 5.883 -3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.606 3.530 -4.020 1.00 0.00 H new ATOM 0 HB2 ALA A 86 15.243 3.800 -3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 86 14.003 3.029 -2.359 1.00 0.00 H new ATOM 1246 N VAL A 87 11.838 4.375 -1.343 1.00 0.00 N ATOM 1247 CA VAL A 87 10.440 4.348 -0.927 1.00 0.00 C ATOM 1248 C VAL A 87 9.999 5.725 -0.431 1.00 0.00 C ATOM 1249 O VAL A 87 8.869 6.143 -0.672 1.00 0.00 O ATOM 1250 CB VAL A 87 10.202 3.292 0.183 1.00 0.00 C ATOM 1251 CG1 VAL A 87 8.963 3.612 1.009 1.00 0.00 C ATOM 1252 CG2 VAL A 87 10.081 1.906 -0.425 1.00 0.00 C ATOM 0 H VAL A 87 12.445 3.742 -0.822 1.00 0.00 H new ATOM 0 HA VAL A 87 9.845 4.073 -1.798 1.00 0.00 H new ATOM 0 HB VAL A 87 11.063 3.317 0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.830 2.849 1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.083 4.586 1.483 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.088 3.630 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.914 1.175 0.366 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.242 1.886 -1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.000 1.661 -0.958 1.00 0.00 H new ATOM 1262 N TYR A 88 10.900 6.413 0.261 1.00 0.00 N ATOM 1263 CA TYR A 88 10.613 7.735 0.807 1.00 0.00 C ATOM 1264 C TYR A 88 10.108 8.693 -0.272 1.00 0.00 C ATOM 1265 O TYR A 88 9.080 9.344 -0.099 1.00 0.00 O ATOM 1266 CB TYR A 88 11.865 8.309 1.479 1.00 0.00 C ATOM 1267 CG TYR A 88 11.669 9.687 2.066 1.00 0.00 C ATOM 1268 CD1 TYR A 88 10.619 9.947 2.935 1.00 0.00 C ATOM 1269 CD2 TYR A 88 12.537 10.727 1.753 1.00 0.00 C ATOM 1270 CE1 TYR A 88 10.438 11.202 3.474 1.00 0.00 C ATOM 1271 CE2 TYR A 88 12.361 11.987 2.293 1.00 0.00 C ATOM 1272 CZ TYR A 88 11.308 12.218 3.152 1.00 0.00 C ATOM 1273 OH TYR A 88 11.126 13.470 3.699 1.00 0.00 O ATOM 0 H TYR A 88 11.842 6.074 0.458 1.00 0.00 H new ATOM 0 HA TYR A 88 9.822 7.625 1.549 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.184 7.630 2.270 1.00 0.00 H new ATOM 0 HB3 TYR A 88 12.672 8.348 0.748 1.00 0.00 H new ATOM 0 HD1 TYR A 88 9.933 9.154 3.193 1.00 0.00 H new ATOM 0 HD2 TYR A 88 13.361 10.548 1.078 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.615 11.388 4.148 1.00 0.00 H new ATOM 0 HE2 TYR A 88 13.044 12.785 2.044 1.00 0.00 H new ATOM 0 HH TYR A 88 11.825 14.074 3.372 1.00 0.00 H new ATOM 1283 N GLU A 89 10.858 8.811 -1.358 1.00 0.00 N ATOM 1284 CA GLU A 89 10.506 9.737 -2.427 1.00 0.00 C ATOM 1285 C GLU A 89 9.390 9.181 -3.304 1.00 0.00 C ATOM 1286 O GLU A 89 8.543 9.927 -3.794 1.00 0.00 O ATOM 1287 CB GLU A 89 11.729 10.034 -3.295 1.00 0.00 C ATOM 1288 CG GLU A 89 12.668 11.069 -2.703 1.00 0.00 C ATOM 1289 CD GLU A 89 11.948 12.322 -2.253 1.00 0.00 C ATOM 1290 OE1 GLU A 89 11.045 12.797 -2.977 1.00 0.00 O ATOM 1291 OE2 GLU A 89 12.270 12.832 -1.165 1.00 0.00 O ATOM 0 H GLU A 89 11.712 8.279 -1.523 1.00 0.00 H new ATOM 0 HA GLU A 89 10.153 10.656 -1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 89 12.281 9.108 -3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 89 11.393 10.380 -4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 89 13.194 10.633 -1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 89 13.423 11.335 -3.443 1.00 0.00 H new ATOM 1298 N VAL A 90 9.463 7.892 -3.598 1.00 0.00 N ATOM 1299 CA VAL A 90 8.534 7.275 -4.533 1.00 0.00 C ATOM 1300 C VAL A 90 7.137 7.124 -3.935 1.00 0.00 C ATOM 1301 O VAL A 90 6.150 7.517 -4.557 1.00 0.00 O ATOM 1302 CB VAL A 90 9.054 5.899 -5.011 1.00 0.00 C ATOM 1303 CG1 VAL A 90 7.986 5.140 -5.791 1.00 0.00 C ATOM 1304 CG2 VAL A 90 10.306 6.077 -5.860 1.00 0.00 C ATOM 0 H VAL A 90 10.154 7.254 -3.204 1.00 0.00 H new ATOM 0 HA VAL A 90 8.463 7.943 -5.391 1.00 0.00 H new ATOM 0 HB VAL A 90 9.303 5.309 -4.129 1.00 0.00 H new ATOM 0 HG11 VAL A 90 8.385 4.178 -6.112 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.116 4.978 -5.154 1.00 0.00 H new ATOM 0 HG13 VAL A 90 7.692 5.721 -6.665 1.00 0.00 H new ATOM 0 HG21 VAL A 90 10.663 5.102 -6.191 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.072 6.692 -6.729 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.080 6.565 -5.268 1.00 0.00 H new ATOM 1314 N PHE A 91 7.047 6.515 -2.756 1.00 0.00 N ATOM 1315 CA PHE A 91 5.752 6.256 -2.125 1.00 0.00 C ATOM 1316 C PHE A 91 5.117 7.531 -1.583 1.00 0.00 C ATOM 1317 O PHE A 91 3.935 7.541 -1.244 1.00 0.00 O ATOM 1318 CB PHE A 91 5.888 5.216 -1.016 1.00 0.00 C ATOM 1319 CG PHE A 91 5.461 3.845 -1.448 1.00 0.00 C ATOM 1320 CD1 PHE A 91 4.118 3.517 -1.528 1.00 0.00 C ATOM 1321 CD2 PHE A 91 6.402 2.885 -1.781 1.00 0.00 C ATOM 1322 CE1 PHE A 91 3.720 2.258 -1.931 1.00 0.00 C ATOM 1323 CE2 PHE A 91 6.010 1.624 -2.187 1.00 0.00 C ATOM 1324 CZ PHE A 91 4.667 1.310 -2.261 1.00 0.00 C ATOM 0 H PHE A 91 7.851 6.192 -2.218 1.00 0.00 H new ATOM 0 HA PHE A 91 5.091 5.862 -2.897 1.00 0.00 H new ATOM 0 HB2 PHE A 91 6.925 5.180 -0.683 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.289 5.525 -0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.373 4.255 -1.272 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.453 3.125 -1.723 1.00 0.00 H new ATOM 0 HE1 PHE A 91 2.669 2.015 -1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 91 6.753 0.884 -2.446 1.00 0.00 H new ATOM 0 HZ PHE A 91 4.359 0.324 -2.577 1.00 0.00 H new ATOM 1334 N LYS A 92 5.855 8.633 -1.661 1.00 0.00 N ATOM 1335 CA LYS A 92 5.300 9.942 -1.341 1.00 0.00 C ATOM 1336 C LYS A 92 4.227 10.304 -2.363 1.00 0.00 C ATOM 1337 O LYS A 92 3.355 11.130 -2.104 1.00 0.00 O ATOM 1338 CB LYS A 92 6.396 11.011 -1.346 1.00 0.00 C ATOM 1339 CG LYS A 92 6.730 11.547 0.037 1.00 0.00 C ATOM 1340 CD LYS A 92 7.521 12.841 -0.045 1.00 0.00 C ATOM 1341 CE LYS A 92 8.973 12.585 -0.403 1.00 0.00 C ATOM 1342 NZ LYS A 92 9.652 13.812 -0.896 1.00 0.00 N ATOM 0 H LYS A 92 6.835 8.646 -1.942 1.00 0.00 H new ATOM 0 HA LYS A 92 4.861 9.900 -0.344 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.298 10.592 -1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.081 11.839 -1.981 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.809 11.717 0.595 1.00 0.00 H new ATOM 0 HG3 LYS A 92 7.304 10.802 0.588 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.072 13.496 -0.791 1.00 0.00 H new ATOM 0 HD3 LYS A 92 7.468 13.362 0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.500 12.206 0.472 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.026 11.810 -1.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 9.936 13.677 -1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.000 14.620 -0.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.495 13.999 -0.316 1.00 0.00 H new ATOM 1356 N ASN A 93 4.302 9.658 -3.521 1.00 0.00 N ATOM 1357 CA ASN A 93 3.345 9.871 -4.598 1.00 0.00 C ATOM 1358 C ASN A 93 3.285 8.631 -5.486 1.00 0.00 C ATOM 1359 O ASN A 93 3.513 8.705 -6.695 1.00 0.00 O ATOM 1360 CB ASN A 93 3.728 11.100 -5.438 1.00 0.00 C ATOM 1361 CG ASN A 93 5.231 11.304 -5.552 1.00 0.00 C ATOM 1362 OD1 ASN A 93 5.779 12.263 -5.011 1.00 0.00 O ATOM 1363 ND2 ASN A 93 5.907 10.408 -6.259 1.00 0.00 N ATOM 0 H ASN A 93 5.026 8.974 -3.738 1.00 0.00 H new ATOM 0 HA ASN A 93 2.364 10.051 -4.158 1.00 0.00 H new ATOM 0 HB2 ASN A 93 3.305 10.995 -6.437 1.00 0.00 H new ATOM 0 HB3 ASN A 93 3.280 11.989 -4.994 1.00 0.00 H new ATOM 0 HD21 ASN A 93 6.917 10.501 -6.369 1.00 0.00 H new ATOM 0 HD22 ASN A 93 5.417 9.626 -6.693 1.00 0.00 H new ATOM 1370 N ALA A 94 3.011 7.485 -4.875 1.00 0.00 N ATOM 1371 CA ALA A 94 2.957 6.224 -5.607 1.00 0.00 C ATOM 1372 C ALA A 94 1.608 5.545 -5.424 1.00 0.00 C ATOM 1373 O ALA A 94 1.391 4.833 -4.447 1.00 0.00 O ATOM 1374 CB ALA A 94 4.079 5.295 -5.165 1.00 0.00 C ATOM 0 H ALA A 94 2.823 7.402 -3.876 1.00 0.00 H new ATOM 0 HA ALA A 94 3.088 6.447 -6.666 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.019 4.361 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 94 5.041 5.771 -5.355 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.981 5.087 -4.099 1.00 0.00 H new ATOM 1380 N PRO A 95 0.670 5.788 -6.347 1.00 0.00 N ATOM 1381 CA PRO A 95 -0.682 5.233 -6.275 1.00 0.00 C ATOM 1382 C PRO A 95 -0.706 3.743 -6.611 1.00 0.00 C ATOM 1383 O PRO A 95 0.018 3.282 -7.497 1.00 0.00 O ATOM 1384 CB PRO A 95 -1.461 6.030 -7.332 1.00 0.00 C ATOM 1385 CG PRO A 95 -0.574 7.178 -7.683 1.00 0.00 C ATOM 1386 CD PRO A 95 0.823 6.664 -7.509 1.00 0.00 C ATOM 0 HA PRO A 95 -1.102 5.314 -5.272 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -1.678 5.417 -8.207 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.417 6.376 -6.940 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.747 7.510 -8.707 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.762 8.034 -7.034 1.00 0.00 H new ATOM 0 HD2 PRO A 95 1.173 6.122 -8.388 1.00 0.00 H new ATOM 0 HD3 PRO A 95 1.536 7.468 -7.325 1.00 0.00 H new ATOM 1394 N LEU A 96 -1.509 2.993 -5.874 1.00 0.00 N ATOM 1395 CA LEU A 96 -1.593 1.556 -6.061 1.00 0.00 C ATOM 1396 C LEU A 96 -3.013 1.146 -6.422 1.00 0.00 C ATOM 1397 O LEU A 96 -3.973 1.553 -5.762 1.00 0.00 O ATOM 1398 CB LEU A 96 -1.149 0.835 -4.784 1.00 0.00 C ATOM 1399 CG LEU A 96 -1.159 -0.695 -4.859 1.00 0.00 C ATOM 1400 CD1 LEU A 96 0.249 -1.246 -4.686 1.00 0.00 C ATOM 1401 CD2 LEU A 96 -2.094 -1.275 -3.806 1.00 0.00 C ATOM 0 H LEU A 96 -2.114 3.358 -5.138 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.931 1.274 -6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.140 1.163 -4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.799 1.147 -3.966 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.525 -0.990 -5.843 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.223 -2.334 -4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 96 0.892 -0.857 -5.476 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.642 -0.942 -3.716 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.088 -2.363 -3.874 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.758 -0.972 -2.814 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.106 -0.906 -3.975 1.00 0.00 H new ATOM 1413 N ASP A 97 -3.137 0.279 -7.416 1.00 0.00 N ATOM 1414 CA ASP A 97 -4.435 -0.261 -7.796 1.00 0.00 C ATOM 1415 C ASP A 97 -4.771 -1.446 -6.905 1.00 0.00 C ATOM 1416 O ASP A 97 -4.173 -2.519 -7.030 1.00 0.00 O ATOM 1417 CB ASP A 97 -4.437 -0.687 -9.265 1.00 0.00 C ATOM 1418 CG ASP A 97 -5.833 -0.732 -9.856 1.00 0.00 C ATOM 1419 OD1 ASP A 97 -6.779 -0.258 -9.201 1.00 0.00 O ATOM 1420 OD2 ASP A 97 -5.983 -1.222 -10.996 1.00 0.00 O ATOM 0 H ASP A 97 -2.356 -0.066 -7.974 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.190 0.515 -7.668 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -3.824 0.006 -9.842 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -3.976 -1.671 -9.355 1.00 0.00 H new ATOM 1425 N PHE A 98 -5.653 -1.213 -5.948 1.00 0.00 N ATOM 1426 CA PHE A 98 -5.994 -2.219 -4.959 1.00 0.00 C ATOM 1427 C PHE A 98 -6.780 -3.359 -5.587 1.00 0.00 C ATOM 1428 O PHE A 98 -7.964 -3.220 -5.909 1.00 0.00 O ATOM 1429 CB PHE A 98 -6.797 -1.595 -3.815 1.00 0.00 C ATOM 1430 CG PHE A 98 -7.041 -2.538 -2.672 1.00 0.00 C ATOM 1431 CD1 PHE A 98 -5.989 -3.220 -2.083 1.00 0.00 C ATOM 1432 CD2 PHE A 98 -8.322 -2.740 -2.188 1.00 0.00 C ATOM 1433 CE1 PHE A 98 -6.211 -4.087 -1.031 1.00 0.00 C ATOM 1434 CE2 PHE A 98 -8.550 -3.605 -1.137 1.00 0.00 C ATOM 1435 CZ PHE A 98 -7.494 -4.279 -0.557 1.00 0.00 C ATOM 0 H PHE A 98 -6.149 -0.329 -5.836 1.00 0.00 H new ATOM 0 HA PHE A 98 -5.064 -2.624 -4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -6.266 -0.718 -3.445 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -7.756 -1.248 -4.201 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -4.984 -3.072 -2.450 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.152 -2.215 -2.638 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.383 -4.614 -0.580 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -9.554 -3.755 -0.768 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.671 -4.955 0.266 1.00 0.00 H new ATOM 1445 N LYS A 99 -6.125 -4.497 -5.701 1.00 0.00 N ATOM 1446 CA LYS A 99 -6.751 -5.696 -6.214 1.00 0.00 C ATOM 1447 C LYS A 99 -6.702 -6.787 -5.157 1.00 0.00 C ATOM 1448 O LYS A 99 -5.615 -7.177 -4.727 1.00 0.00 O ATOM 1449 CB LYS A 99 -6.045 -6.168 -7.486 1.00 0.00 C ATOM 1450 CG LYS A 99 -6.845 -5.914 -8.752 1.00 0.00 C ATOM 1451 CD LYS A 99 -8.094 -6.777 -8.806 1.00 0.00 C ATOM 1452 CE LYS A 99 -7.926 -7.947 -9.762 1.00 0.00 C ATOM 1453 NZ LYS A 99 -7.903 -7.509 -11.181 1.00 0.00 N ATOM 0 H LYS A 99 -5.146 -4.615 -5.441 1.00 0.00 H new ATOM 0 HA LYS A 99 -7.790 -5.474 -6.459 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -5.082 -5.663 -7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.839 -7.235 -7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.126 -4.862 -8.801 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.223 -6.118 -9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.321 -7.152 -7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.943 -6.170 -9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.000 -8.474 -9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.741 -8.655 -9.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.060 -8.330 -11.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.654 -6.807 -11.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.979 -7.083 -11.398 1.00 0.00 H new ATOM 1467 N PRO A 100 -7.884 -7.236 -4.685 1.00 0.00 N ATOM 1468 CA PRO A 100 -8.018 -8.242 -3.626 1.00 0.00 C ATOM 1469 C PRO A 100 -6.943 -9.328 -3.682 1.00 0.00 C ATOM 1470 O PRO A 100 -6.862 -10.097 -4.645 1.00 0.00 O ATOM 1471 CB PRO A 100 -9.389 -8.834 -3.924 1.00 0.00 C ATOM 1472 CG PRO A 100 -10.182 -7.692 -4.467 1.00 0.00 C ATOM 1473 CD PRO A 100 -9.206 -6.739 -5.110 1.00 0.00 C ATOM 0 HA PRO A 100 -7.908 -7.811 -2.631 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -9.321 -9.648 -4.646 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -9.848 -9.243 -3.024 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -10.914 -8.043 -5.195 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -10.737 -7.196 -3.671 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -9.303 -6.742 -6.196 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -9.372 -5.714 -4.778 1.00 0.00 H new ATOM 1481 N HIS A 101 -6.100 -9.360 -2.659 1.00 0.00 N ATOM 1482 CA HIS A 101 -5.014 -10.308 -2.598 1.00 0.00 C ATOM 1483 C HIS A 101 -5.496 -11.592 -1.933 1.00 0.00 C ATOM 1484 O HIS A 101 -6.292 -11.548 -1.004 1.00 0.00 O ATOM 1485 CB HIS A 101 -3.822 -9.672 -1.846 1.00 0.00 C ATOM 1486 CG HIS A 101 -3.558 -10.231 -0.480 1.00 0.00 C ATOM 1487 ND1 HIS A 101 -4.202 -9.787 0.651 1.00 0.00 N ATOM 1488 CD2 HIS A 101 -2.722 -11.212 -0.073 1.00 0.00 C ATOM 1489 CE1 HIS A 101 -3.769 -10.467 1.691 1.00 0.00 C ATOM 1490 NE2 HIS A 101 -2.873 -11.342 1.282 1.00 0.00 N ATOM 0 H HIS A 101 -6.155 -8.732 -1.857 1.00 0.00 H new ATOM 0 HA HIS A 101 -4.674 -10.565 -3.601 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.924 -9.795 -2.451 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -4.001 -8.601 -1.754 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -4.904 -9.048 0.679 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -2.057 -11.787 -0.701 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -4.094 -10.330 2.712 1.00 0.00 H new ATOM 1499 N HIS A 102 -5.022 -12.724 -2.412 1.00 0.00 N ATOM 1500 CA HIS A 102 -5.426 -14.002 -1.853 1.00 0.00 C ATOM 1501 C HIS A 102 -4.227 -14.919 -1.733 1.00 0.00 C ATOM 1502 O HIS A 102 -3.259 -14.719 -2.494 1.00 0.00 O ATOM 1503 CB HIS A 102 -6.503 -14.653 -2.724 1.00 0.00 C ATOM 1504 CG HIS A 102 -7.396 -15.590 -1.971 1.00 0.00 C ATOM 1505 ND1 HIS A 102 -8.062 -16.634 -2.569 1.00 0.00 N ATOM 1506 CD2 HIS A 102 -7.730 -15.634 -0.661 1.00 0.00 C ATOM 1507 CE1 HIS A 102 -8.769 -17.280 -1.662 1.00 0.00 C ATOM 1508 NE2 HIS A 102 -8.585 -16.693 -0.495 1.00 0.00 N ATOM 0 H HIS A 102 -4.359 -12.787 -3.184 1.00 0.00 H new ATOM 0 HA HIS A 102 -5.842 -13.831 -0.860 1.00 0.00 H new ATOM 0 HB2 HIS A 102 -7.111 -13.872 -3.180 1.00 0.00 H new ATOM 0 HB3 HIS A 102 -6.022 -15.197 -3.537 1.00 0.00 H new ATOM 0 HD2 HIS A 102 -7.387 -14.960 0.110 1.00 0.00 H new ATOM 0 HE1 HIS A 102 -9.393 -18.143 -1.844 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -9.010 -16.980 0.387 1.00 0.00 H new TER 1517 HIS A 102