USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1032 hydrogens (43 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 12 LYS NZ :NH3+ -155:sc= 1.66 (180deg=0.671) USER MOD Set 1.2: A 13 ASN : amide:sc= 1.35 K(o=4.2,f=-9.4!) USER MOD Set 1.3: A 118 SER OG : rot 118:sc= 1.18 USER MOD Set 2.1: A 99 HIS : +bothHN:sc= 0.196! C(o=2.4!,f=-20!) USER MOD Set 2.2: A 112 SER OG : rot -59:sc= 1.81 USER MOD Set 2.3: A 128 GCH O : rot 61:sc= 0.424 USER MOD Set 3.1: A 97 TYR OH : rot 180:sc= 1.03 USER MOD Set 3.2: A 128 GCH O1 : rot -159:sc= 1.16 USER MOD Set 4.1: A 96 ASN : amide:sc= 0.901 K(o=1.7,f=-1.8) USER MOD Set 4.2: A 128 GCH O4 : rot 167:sc= 0.794 USER MOD Set 5.1: A 93 ASN : amide:sc= 0.506 K(o=2.3,f=-3!) USER MOD Set 5.2: A 98 HIS : no HE2:sc= 0.649 K(o=2.3,f=-3.9!) USER MOD Set 5.3: A 100 THR OG1 : rot 64:sc= 1.15 USER MOD Set 6.1: A 46 ASN : amide:sc= 1.09 K(o=2.3,f=-0.26) USER MOD Set 6.2: A 64 THR OG1 : rot -48:sc= 1.2 USER MOD Set 7.1: A 48 THR OG1 : rot 118:sc= 1.23 USER MOD Set 7.2: A 62 THR OG1 : rot -83:sc= 0.00793 USER MOD Set 8.1: A 50 SER OG : rot 27:sc= 2.08 USER MOD Set 8.2: A 58 SER OG : rot 128:sc= 1.21 USER MOD Set 8.3: A 60 THR OG1 : rot -53:sc= 2.31 USER MOD Set 9.1: A 1 ALA N :NH3+ 165:sc= 0.308 (180deg=-0.441) USER MOD Set 9.2: A 3 THR OG1 : rot 180:sc= 0.68 USER MOD Set 9.3: A 42 GLN :FLIP amide:sc= -2.5 F(o=-4.6!,f=-1.5) USER MOD Set10.1: A 38 SER OG : rot -38:sc= 2.19 USER MOD Set10.2: A 51 GLN : amide:sc= 0.752 K(o=2.9,f=-3.4!) USER MOD Set11.1: A 14 TYR OH : rot 180:sc= 0.711 USER MOD Set11.2: A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set12.1: A 6 TYR OH : rot -15:sc= 2.14 USER MOD Set12.2: A 125 LYS NZ :NH3+ -108:sc= 2.13 (180deg=1.23) USER MOD Set13.1: A 5 LYS NZ :NH3+ -177:sc= 0.798! (180deg=0.0447!) USER MOD Set13.2: A 52 GLN : amide:sc= 1.24 K(o=2,f=-16!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 149:sc= 1.67 (180deg=0.913) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -144:sc= 1.47 (180deg=0.598) USER MOD Single : A 33 ASN : amide:sc= -1.04 X(o=-1,f=-0.85) USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= 0.526 (180deg=-0.183) USER MOD Single : A 41 LYS NZ :NH3+ 169:sc= 0.127 (180deg=-0.156) USER MOD Single : A 45 GLN : amide:sc= 1.02 K(o=1,f=-0.52) USER MOD Single : A 53 TYR OH : rot 13:sc= 1.21 USER MOD Single : A 57 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.3!) USER MOD Single : A 61 ASN : amide:sc= 0.888 K(o=0.89,f=-1.8) USER MOD Single : A 67 LYS NZ :NH3+ -110:sc= 1.48 (180deg=-1.24!) USER MOD Single : A 69 CYS SG : rot 120:sc= 1.05 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -164:sc= 2.28 (180deg=1.98) USER MOD Single : A 78 LYS NZ :NH3+ 176:sc= 1.25 (180deg=1.06) USER MOD Single : A 80 LYS NZ :NH3+ -173:sc= 1.8 (180deg=1.59) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 K(o=0,f=-4.1!) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 177:sc= 0.916 (180deg=0.846) USER MOD Single : A 94 SER OG : rot -39:sc= 0.838 USER MOD Single : A 107 LYS NZ :NH3+ -176:sc= 1.06 (180deg=0.929) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot -5:sc= 1.15 USER MOD Single : A 123 SER OG : rot 66:sc= 0.914 USER MOD Single : A 124 LYS NZ :NH3+ -116:sc= -0.498! (180deg=-2.68!) USER MOD Single : A 128 GCH O3 : rot 160:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 11.778 -12.696 -5.538 1.00 0.00 N ATOM 2 CA ALA A 1 12.900 -11.832 -5.069 1.00 1.00 C ATOM 3 C ALA A 1 12.475 -10.342 -5.049 1.00 1.00 C ATOM 4 O ALA A 1 13.253 -9.402 -5.185 1.00 1.00 O ATOM 5 CB ALA A 1 14.132 -12.037 -5.942 1.00 1.00 C ATOM 0 H1 ALA A 1 12.145 -13.637 -5.787 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.071 -12.789 -4.781 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.334 -12.265 -6.374 1.00 0.00 H new ATOM 0 HA ALA A 1 13.154 -12.121 -4.049 1.00 1.00 H new ATOM 0 HB1 ALA A 1 14.941 -11.399 -5.586 1.00 1.00 H new ATOM 0 HB2 ALA A 1 14.444 -13.080 -5.892 1.00 1.00 H new ATOM 0 HB3 ALA A 1 13.894 -11.779 -6.974 1.00 1.00 H new ATOM 12 N PHE A 2 11.135 -10.165 -4.790 1.00 1.00 N ATOM 13 CA PHE A 2 10.517 -8.849 -4.677 1.00 1.00 C ATOM 14 C PHE A 2 10.704 -8.224 -3.280 1.00 1.00 C ATOM 15 O PHE A 2 10.504 -7.021 -3.088 1.00 1.00 O ATOM 16 CB PHE A 2 9.010 -8.909 -4.996 1.00 1.00 C ATOM 17 CG PHE A 2 8.705 -8.536 -6.429 1.00 1.00 C ATOM 18 CD1 PHE A 2 9.269 -9.247 -7.499 1.00 1.00 C ATOM 19 CD2 PHE A 2 7.845 -7.463 -6.706 1.00 1.00 C ATOM 20 CE1 PHE A 2 9.006 -8.870 -8.815 1.00 1.00 C ATOM 21 CE2 PHE A 2 7.575 -7.096 -8.024 1.00 1.00 C ATOM 22 CZ PHE A 2 8.166 -7.791 -9.075 1.00 1.00 C ATOM 0 H PHE A 2 10.483 -10.939 -4.659 1.00 1.00 H new ATOM 0 HA PHE A 2 11.025 -8.219 -5.407 1.00 1.00 H new ATOM 0 HB2 PHE A 2 8.640 -9.915 -4.800 1.00 1.00 H new ATOM 0 HB3 PHE A 2 8.473 -8.236 -4.327 1.00 1.00 H new ATOM 0 HD1 PHE A 2 9.911 -10.092 -7.302 1.00 1.00 H new ATOM 0 HD2 PHE A 2 7.389 -6.917 -5.893 1.00 1.00 H new ATOM 0 HE1 PHE A 2 9.454 -9.415 -9.633 1.00 1.00 H new ATOM 0 HE2 PHE A 2 6.907 -6.272 -8.229 1.00 1.00 H new ATOM 0 HZ PHE A 2 7.972 -7.492 -10.095 1.00 1.00 H new ATOM 32 N THR A 3 11.041 -9.087 -2.263 1.00 1.00 N ATOM 33 CA THR A 3 10.877 -8.697 -0.850 1.00 1.00 C ATOM 34 C THR A 3 11.764 -7.473 -0.483 1.00 1.00 C ATOM 35 O THR A 3 12.840 -7.201 -1.026 1.00 1.00 O ATOM 36 CB THR A 3 11.200 -9.909 0.065 1.00 1.00 C ATOM 37 OG1 THR A 3 10.142 -10.881 -0.013 1.00 1.00 O ATOM 38 CG2 THR A 3 11.381 -9.609 1.548 1.00 1.00 C ATOM 0 H THR A 3 11.415 -10.025 -2.406 1.00 1.00 H new ATOM 0 HA THR A 3 9.841 -8.396 -0.695 1.00 1.00 H new ATOM 0 HB THR A 3 12.158 -10.260 -0.318 1.00 1.00 H new ATOM 0 HG1 THR A 3 10.354 -11.643 0.566 1.00 1.00 H new ATOM 0 HG21 THR A 3 11.602 -10.533 2.082 1.00 1.00 H new ATOM 0 HG22 THR A 3 12.205 -8.908 1.679 1.00 1.00 H new ATOM 0 HG23 THR A 3 10.465 -9.171 1.945 1.00 1.00 H new ATOM 46 N GLY A 4 11.263 -6.716 0.552 1.00 1.00 N ATOM 47 CA GLY A 4 11.999 -5.666 1.222 1.00 1.00 C ATOM 48 C GLY A 4 11.140 -4.429 1.512 1.00 1.00 C ATOM 49 O GLY A 4 9.946 -4.357 1.233 1.00 1.00 O ATOM 0 H GLY A 4 10.322 -6.847 0.923 1.00 1.00 H new ATOM 0 HA2 GLY A 4 12.401 -6.051 2.159 1.00 1.00 H new ATOM 0 HA3 GLY A 4 12.850 -5.375 0.606 1.00 1.00 H new ATOM 53 N LYS A 5 11.855 -3.418 2.122 1.00 1.00 N ATOM 54 CA LYS A 5 11.309 -2.065 2.260 1.00 1.00 C ATOM 55 C LYS A 5 11.751 -1.300 0.990 1.00 1.00 C ATOM 56 O LYS A 5 12.811 -1.552 0.409 1.00 1.00 O ATOM 57 CB LYS A 5 11.850 -1.414 3.534 1.00 1.00 C ATOM 58 CG LYS A 5 11.025 -0.201 3.990 1.00 1.00 C ATOM 59 CD LYS A 5 11.294 0.091 5.470 1.00 1.00 C ATOM 60 CE LYS A 5 10.528 1.277 6.055 1.00 1.00 C ATOM 61 NZ LYS A 5 9.095 1.033 6.069 1.00 1.00 N ATOM 0 H LYS A 5 12.791 -3.537 2.511 1.00 1.00 H new ATOM 0 HA LYS A 5 10.223 -2.062 2.348 1.00 1.00 H new ATOM 0 HB2 LYS A 5 11.868 -2.155 4.334 1.00 1.00 H new ATOM 0 HB3 LYS A 5 12.881 -1.102 3.366 1.00 1.00 H new ATOM 0 HG2 LYS A 5 11.281 0.670 3.387 1.00 1.00 H new ATOM 0 HG3 LYS A 5 9.963 -0.395 3.836 1.00 1.00 H new ATOM 0 HD2 LYS A 5 11.048 -0.799 6.049 1.00 1.00 H new ATOM 0 HD3 LYS A 5 12.361 0.271 5.599 1.00 1.00 H new ATOM 0 HE2 LYS A 5 10.875 1.470 7.070 1.00 1.00 H new ATOM 0 HE3 LYS A 5 10.740 2.172 5.470 1.00 1.00 H new ATOM 0 HZ1 LYS A 5 8.603 1.877 6.425 1.00 1.00 H new ATOM 0 HZ2 LYS A 5 8.769 0.823 5.104 1.00 1.00 H new ATOM 0 HZ3 LYS A 5 8.887 0.224 6.688 1.00 1.00 H new ATOM 75 N TYR A 6 10.892 -0.320 0.573 1.00 1.00 N ATOM 76 CA TYR A 6 11.090 0.491 -0.622 1.00 1.00 C ATOM 77 C TYR A 6 10.643 1.923 -0.300 1.00 1.00 C ATOM 78 O TYR A 6 9.718 2.157 0.480 1.00 1.00 O ATOM 79 CB TYR A 6 10.244 0.045 -1.830 1.00 1.00 C ATOM 80 CG TYR A 6 10.627 -1.297 -2.399 1.00 1.00 C ATOM 81 CD1 TYR A 6 10.161 -2.478 -1.812 1.00 1.00 C ATOM 82 CD2 TYR A 6 11.455 -1.375 -3.524 1.00 1.00 C ATOM 83 CE1 TYR A 6 10.521 -3.713 -2.345 1.00 1.00 C ATOM 84 CE2 TYR A 6 11.817 -2.611 -4.054 1.00 1.00 C ATOM 85 CZ TYR A 6 11.323 -3.766 -3.475 1.00 1.00 C ATOM 86 OH TYR A 6 11.692 -4.966 -4.008 1.00 1.00 O ATOM 0 H TYR A 6 10.038 -0.086 1.080 1.00 1.00 H new ATOM 0 HA TYR A 6 12.143 0.397 -0.887 1.00 1.00 H new ATOM 0 HB2 TYR A 6 9.196 0.014 -1.532 1.00 1.00 H new ATOM 0 HB3 TYR A 6 10.330 0.796 -2.615 1.00 1.00 H new ATOM 0 HD1 TYR A 6 9.521 -2.432 -0.944 1.00 1.00 H new ATOM 0 HD2 TYR A 6 11.817 -0.468 -3.986 1.00 1.00 H new ATOM 0 HE1 TYR A 6 10.177 -4.625 -1.880 1.00 1.00 H new ATOM 0 HE2 TYR A 6 12.476 -2.667 -4.908 1.00 1.00 H new ATOM 0 HH TYR A 6 11.520 -5.679 -3.359 1.00 1.00 H new ATOM 96 N GLU A 7 11.264 2.904 -1.027 1.00 1.00 N ATOM 97 CA GLU A 7 10.815 4.302 -0.989 1.00 1.00 C ATOM 98 C GLU A 7 10.588 4.772 -2.443 1.00 1.00 C ATOM 99 O GLU A 7 11.099 4.197 -3.407 1.00 1.00 O ATOM 100 CB GLU A 7 11.858 5.184 -0.301 1.00 1.00 C ATOM 101 CG GLU A 7 11.215 6.233 0.602 1.00 1.00 C ATOM 102 CD GLU A 7 12.236 7.337 0.799 1.00 1.00 C ATOM 103 OE1 GLU A 7 13.204 7.072 1.555 1.00 1.00 O ATOM 104 OE2 GLU A 7 12.008 8.392 0.130 1.00 1.00 O ATOM 0 H GLU A 7 12.066 2.738 -1.635 1.00 1.00 H new ATOM 0 HA GLU A 7 9.889 4.380 -0.419 1.00 1.00 H new ATOM 0 HB2 GLU A 7 12.528 4.559 0.290 1.00 1.00 H new ATOM 0 HB3 GLU A 7 12.468 5.680 -1.056 1.00 1.00 H new ATOM 0 HG2 GLU A 7 10.305 6.626 0.149 1.00 1.00 H new ATOM 0 HG3 GLU A 7 10.931 5.796 1.559 1.00 1.00 H new ATOM 111 N ILE A 8 9.810 5.897 -2.581 1.00 1.00 N ATOM 112 CA ILE A 8 9.529 6.496 -3.888 1.00 1.00 C ATOM 113 C ILE A 8 10.708 7.395 -4.341 1.00 1.00 C ATOM 114 O ILE A 8 11.238 8.232 -3.610 1.00 1.00 O ATOM 115 CB ILE A 8 8.171 7.249 -3.869 1.00 1.00 C ATOM 116 CG1 ILE A 8 7.044 6.198 -3.952 1.00 1.00 C ATOM 117 CG2 ILE A 8 8.031 8.304 -4.970 1.00 1.00 C ATOM 118 CD1 ILE A 8 5.661 6.783 -4.165 1.00 1.00 C ATOM 0 H ILE A 8 9.380 6.387 -1.796 1.00 1.00 H new ATOM 0 HA ILE A 8 9.435 5.702 -4.629 1.00 1.00 H new ATOM 0 HB ILE A 8 8.108 7.814 -2.939 1.00 1.00 H new ATOM 0 HG12 ILE A 8 7.264 5.509 -4.768 1.00 1.00 H new ATOM 0 HG13 ILE A 8 7.041 5.612 -3.033 1.00 1.00 H new ATOM 0 HG21 ILE A 8 7.057 8.786 -4.890 1.00 1.00 H new ATOM 0 HG22 ILE A 8 8.816 9.052 -4.859 1.00 1.00 H new ATOM 0 HG23 ILE A 8 8.121 7.826 -5.945 1.00 1.00 H new ATOM 0 HD11 ILE A 8 4.928 5.977 -4.212 1.00 1.00 H new ATOM 0 HD12 ILE A 8 5.416 7.449 -3.337 1.00 1.00 H new ATOM 0 HD13 ILE A 8 5.643 7.344 -5.099 1.00 1.00 H new ATOM 130 N GLU A 9 11.074 7.202 -5.661 1.00 1.00 N ATOM 131 CA GLU A 9 11.948 8.131 -6.373 1.00 1.00 C ATOM 132 C GLU A 9 11.099 9.267 -6.982 1.00 1.00 C ATOM 133 O GLU A 9 11.451 10.444 -6.911 1.00 1.00 O ATOM 134 CB GLU A 9 12.702 7.447 -7.523 1.00 1.00 C ATOM 135 CG GLU A 9 13.905 6.636 -7.056 1.00 1.00 C ATOM 136 CD GLU A 9 14.692 5.959 -8.180 1.00 1.00 C ATOM 137 OE1 GLU A 9 14.391 6.276 -9.363 1.00 1.00 O ATOM 138 OE2 GLU A 9 15.552 5.110 -7.798 1.00 1.00 O ATOM 0 H GLU A 9 10.764 6.409 -6.222 1.00 1.00 H new ATOM 0 HA GLU A 9 12.671 8.511 -5.651 1.00 1.00 H new ATOM 0 HB2 GLU A 9 12.016 6.791 -8.059 1.00 1.00 H new ATOM 0 HB3 GLU A 9 13.036 8.205 -8.231 1.00 1.00 H new ATOM 0 HG2 GLU A 9 14.577 7.293 -6.504 1.00 1.00 H new ATOM 0 HG3 GLU A 9 13.563 5.872 -6.359 1.00 1.00 H new ATOM 145 N SER A 10 10.013 8.867 -7.737 1.00 1.00 N ATOM 146 CA SER A 10 9.276 9.827 -8.560 1.00 1.00 C ATOM 147 C SER A 10 7.905 9.255 -8.990 1.00 1.00 C ATOM 148 O SER A 10 7.674 8.044 -9.020 1.00 1.00 O ATOM 149 CB SER A 10 10.084 10.193 -9.814 1.00 1.00 C ATOM 150 OG SER A 10 9.527 11.333 -10.460 1.00 1.00 O ATOM 0 H SER A 10 9.659 7.911 -7.775 1.00 1.00 H new ATOM 0 HA SER A 10 9.114 10.720 -7.957 1.00 1.00 H new ATOM 0 HB2 SER A 10 11.119 10.395 -9.539 1.00 1.00 H new ATOM 0 HB3 SER A 10 10.096 9.349 -10.503 1.00 1.00 H new ATOM 0 HG SER A 10 10.057 11.550 -11.255 1.00 1.00 H new ATOM 156 N GLU A 11 6.994 10.215 -9.359 1.00 1.00 N ATOM 157 CA GLU A 11 5.608 9.992 -9.776 1.00 1.00 C ATOM 158 C GLU A 11 5.245 11.118 -10.763 1.00 1.00 C ATOM 159 O GLU A 11 5.957 12.109 -10.917 1.00 1.00 O ATOM 160 CB GLU A 11 4.634 10.041 -8.591 1.00 1.00 C ATOM 161 CG GLU A 11 4.767 8.831 -7.684 1.00 1.00 C ATOM 162 CD GLU A 11 3.768 8.851 -6.542 1.00 1.00 C ATOM 163 OE1 GLU A 11 3.629 9.941 -5.933 1.00 1.00 O ATOM 164 OE2 GLU A 11 3.165 7.748 -6.344 1.00 1.00 O ATOM 0 H GLU A 11 7.240 11.205 -9.366 1.00 1.00 H new ATOM 0 HA GLU A 11 5.526 9.003 -10.226 1.00 1.00 H new ATOM 0 HB2 GLU A 11 4.815 10.947 -8.013 1.00 1.00 H new ATOM 0 HB3 GLU A 11 3.612 10.100 -8.966 1.00 1.00 H new ATOM 0 HG2 GLU A 11 4.626 7.923 -8.271 1.00 1.00 H new ATOM 0 HG3 GLU A 11 5.778 8.794 -7.278 1.00 1.00 H new ATOM 171 N LYS A 12 4.053 10.928 -11.439 1.00 1.00 N ATOM 172 CA LYS A 12 3.622 11.924 -12.417 1.00 1.00 C ATOM 173 C LYS A 12 2.103 12.156 -12.359 1.00 1.00 C ATOM 174 O LYS A 12 1.599 13.242 -12.645 1.00 1.00 O ATOM 175 CB LYS A 12 4.041 11.479 -13.828 1.00 1.00 C ATOM 176 CG LYS A 12 4.005 12.630 -14.841 1.00 1.00 C ATOM 177 CD LYS A 12 4.558 12.222 -16.213 1.00 1.00 C ATOM 178 CE LYS A 12 3.502 11.971 -17.283 1.00 1.00 C ATOM 179 NZ LYS A 12 2.606 10.885 -16.922 1.00 1.00 N ATOM 0 H LYS A 12 3.427 10.133 -11.315 1.00 1.00 H new ATOM 0 HA LYS A 12 4.107 12.870 -12.174 1.00 1.00 H new ATOM 0 HB2 LYS A 12 5.048 11.063 -13.791 1.00 1.00 H new ATOM 0 HB3 LYS A 12 3.379 10.681 -14.165 1.00 1.00 H new ATOM 0 HG2 LYS A 12 2.978 12.977 -14.955 1.00 1.00 H new ATOM 0 HG3 LYS A 12 4.584 13.469 -14.454 1.00 1.00 H new ATOM 0 HD2 LYS A 12 5.231 13.004 -16.564 1.00 1.00 H new ATOM 0 HD3 LYS A 12 5.155 11.318 -16.093 1.00 1.00 H new ATOM 0 HE2 LYS A 12 2.923 12.881 -17.441 1.00 1.00 H new ATOM 0 HE3 LYS A 12 3.992 11.737 -18.228 1.00 1.00 H new ATOM 0 HZ1 LYS A 12 2.203 10.466 -17.784 1.00 1.00 H new ATOM 0 HZ2 LYS A 12 3.135 10.158 -16.399 1.00 1.00 H new ATOM 0 HZ3 LYS A 12 1.839 11.252 -16.324 1.00 1.00 H new ATOM 193 N ASN A 13 1.333 11.027 -12.155 1.00 1.00 N ATOM 194 CA ASN A 13 -0.078 11.019 -12.563 1.00 1.00 C ATOM 195 C ASN A 13 -1.071 10.916 -11.390 1.00 1.00 C ATOM 196 O ASN A 13 -2.278 10.735 -11.556 1.00 1.00 O ATOM 197 CB ASN A 13 -0.345 9.899 -13.562 1.00 1.00 C ATOM 198 CG ASN A 13 -0.307 10.409 -14.980 1.00 1.00 C ATOM 199 OD1 ASN A 13 0.533 11.195 -15.409 1.00 1.00 O ATOM 200 ND2 ASN A 13 -1.258 9.879 -15.796 1.00 1.00 N ATOM 0 H ASN A 13 1.668 10.162 -11.730 1.00 1.00 H new ATOM 0 HA ASN A 13 -0.249 11.989 -13.031 1.00 1.00 H new ATOM 0 HB2 ASN A 13 0.399 9.112 -13.436 1.00 1.00 H new ATOM 0 HB3 ASN A 13 -1.319 9.453 -13.360 1.00 1.00 H new ATOM 0 HD21 ASN A 13 -1.282 10.133 -16.784 1.00 1.00 H new ATOM 0 HD22 ASN A 13 -1.947 9.228 -15.420 1.00 1.00 H new ATOM 207 N TYR A 14 -0.541 11.165 -10.146 1.00 1.00 N ATOM 208 CA TYR A 14 -1.277 10.817 -8.918 1.00 1.00 C ATOM 209 C TYR A 14 -2.608 11.594 -8.869 1.00 1.00 C ATOM 210 O TYR A 14 -3.677 11.061 -8.573 1.00 1.00 O ATOM 211 CB TYR A 14 -0.393 11.122 -7.705 1.00 1.00 C ATOM 212 CG TYR A 14 -1.113 11.288 -6.394 1.00 1.00 C ATOM 213 CD1 TYR A 14 -1.582 10.182 -5.678 1.00 1.00 C ATOM 214 CD2 TYR A 14 -1.324 12.580 -5.886 1.00 1.00 C ATOM 215 CE1 TYR A 14 -2.279 10.372 -4.484 1.00 1.00 C ATOM 216 CE2 TYR A 14 -2.026 12.764 -4.700 1.00 1.00 C ATOM 217 CZ TYR A 14 -2.515 11.661 -4.019 1.00 1.00 C ATOM 218 OH TYR A 14 -3.266 11.819 -2.896 1.00 1.00 O ATOM 0 H TYR A 14 0.370 11.595 -9.987 1.00 1.00 H new ATOM 0 HA TYR A 14 -1.519 9.754 -8.907 1.00 1.00 H new ATOM 0 HB2 TYR A 14 0.335 10.318 -7.599 1.00 1.00 H new ATOM 0 HB3 TYR A 14 0.167 12.035 -7.908 1.00 1.00 H new ATOM 0 HD1 TYR A 14 -1.405 9.183 -6.048 1.00 1.00 H new ATOM 0 HD2 TYR A 14 -0.939 13.436 -6.420 1.00 1.00 H new ATOM 0 HE1 TYR A 14 -2.634 9.520 -3.923 1.00 1.00 H new ATOM 0 HE2 TYR A 14 -2.189 13.759 -4.313 1.00 1.00 H new ATOM 0 HH TYR A 14 -3.347 12.773 -2.688 1.00 1.00 H new ATOM 228 N ASP A 15 -2.518 12.940 -9.164 1.00 1.00 N ATOM 229 CA ASP A 15 -3.657 13.821 -8.880 1.00 1.00 C ATOM 230 C ASP A 15 -4.801 13.442 -9.851 1.00 1.00 C ATOM 231 O ASP A 15 -5.975 13.335 -9.500 1.00 1.00 O ATOM 232 CB ASP A 15 -3.214 15.256 -9.062 1.00 1.00 C ATOM 233 CG ASP A 15 -4.369 16.121 -8.630 1.00 1.00 C ATOM 234 OD1 ASP A 15 -5.229 16.412 -9.507 1.00 1.00 O ATOM 235 OD2 ASP A 15 -4.342 16.514 -7.426 1.00 1.00 O ATOM 0 H ASP A 15 -1.704 13.396 -9.576 1.00 1.00 H new ATOM 0 HA ASP A 15 -4.015 13.709 -7.857 1.00 1.00 H new ATOM 0 HB2 ASP A 15 -2.327 15.467 -8.464 1.00 1.00 H new ATOM 0 HB3 ASP A 15 -2.951 15.451 -10.102 1.00 1.00 H new ATOM 240 N GLU A 16 -4.394 13.264 -11.163 1.00 1.00 N ATOM 241 CA GLU A 16 -5.360 12.923 -12.194 1.00 1.00 C ATOM 242 C GLU A 16 -5.972 11.531 -11.957 1.00 1.00 C ATOM 243 O GLU A 16 -7.120 11.262 -12.317 1.00 1.00 O ATOM 244 CB GLU A 16 -4.728 12.973 -13.595 1.00 1.00 C ATOM 245 CG GLU A 16 -4.629 14.398 -14.145 1.00 1.00 C ATOM 246 CD GLU A 16 -6.016 15.015 -14.239 1.00 1.00 C ATOM 247 OE1 GLU A 16 -6.863 14.390 -14.948 1.00 1.00 O ATOM 248 OE2 GLU A 16 -6.220 16.029 -13.509 1.00 1.00 O ATOM 0 H GLU A 16 -3.431 13.355 -11.488 1.00 1.00 H new ATOM 0 HA GLU A 16 -6.153 13.669 -12.138 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -3.732 12.532 -13.556 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -5.320 12.364 -14.278 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -3.995 15.004 -13.497 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -4.160 14.386 -15.129 1.00 1.00 H new ATOM 255 N PHE A 17 -5.134 10.603 -11.401 1.00 1.00 N ATOM 256 CA PHE A 17 -5.565 9.241 -11.111 1.00 1.00 C ATOM 257 C PHE A 17 -6.619 9.275 -9.987 1.00 1.00 C ATOM 258 O PHE A 17 -7.655 8.610 -10.034 1.00 1.00 O ATOM 259 CB PHE A 17 -4.359 8.397 -10.717 1.00 1.00 C ATOM 260 CG PHE A 17 -4.663 6.935 -10.581 1.00 1.00 C ATOM 261 CD1 PHE A 17 -4.661 6.112 -11.707 1.00 1.00 C ATOM 262 CD2 PHE A 17 -4.913 6.384 -9.322 1.00 1.00 C ATOM 263 CE1 PHE A 17 -4.884 4.751 -11.577 1.00 1.00 C ATOM 264 CE2 PHE A 17 -5.143 5.019 -9.199 1.00 1.00 C ATOM 265 CZ PHE A 17 -5.149 4.205 -10.327 1.00 1.00 C ATOM 0 H PHE A 17 -4.163 10.795 -11.154 1.00 1.00 H new ATOM 0 HA PHE A 17 -6.017 8.790 -11.995 1.00 1.00 H new ATOM 0 HB2 PHE A 17 -3.576 8.528 -11.464 1.00 1.00 H new ATOM 0 HB3 PHE A 17 -3.962 8.766 -9.771 1.00 1.00 H new ATOM 0 HD1 PHE A 17 -4.485 6.537 -12.684 1.00 1.00 H new ATOM 0 HD2 PHE A 17 -4.928 7.017 -8.447 1.00 1.00 H new ATOM 0 HE1 PHE A 17 -4.852 4.114 -12.448 1.00 1.00 H new ATOM 0 HE2 PHE A 17 -5.318 4.589 -8.224 1.00 1.00 H new ATOM 0 HZ PHE A 17 -5.359 3.150 -10.231 1.00 1.00 H new ATOM 275 N MET A 18 -6.324 10.076 -8.909 1.00 1.00 N ATOM 276 CA MET A 18 -7.241 10.173 -7.780 1.00 1.00 C ATOM 277 C MET A 18 -8.540 10.908 -8.194 1.00 1.00 C ATOM 278 O MET A 18 -9.610 10.714 -7.612 1.00 1.00 O ATOM 279 CB MET A 18 -6.615 10.887 -6.591 1.00 1.00 C ATOM 280 CG MET A 18 -5.476 10.117 -5.931 1.00 1.00 C ATOM 281 SD MET A 18 -6.039 8.688 -4.944 1.00 1.00 S ATOM 282 CE MET A 18 -6.237 9.509 -3.341 1.00 1.00 C ATOM 0 H MET A 18 -5.477 10.638 -8.823 1.00 1.00 H new ATOM 0 HA MET A 18 -7.476 9.153 -7.477 1.00 1.00 H new ATOM 0 HB2 MET A 18 -6.241 11.857 -6.919 1.00 1.00 H new ATOM 0 HB3 MET A 18 -7.389 11.078 -5.847 1.00 1.00 H new ATOM 0 HG2 MET A 18 -4.789 9.768 -6.702 1.00 1.00 H new ATOM 0 HG3 MET A 18 -4.915 10.795 -5.287 1.00 1.00 H new ATOM 0 HE1 MET A 18 -6.580 8.785 -2.601 1.00 1.00 H new ATOM 0 HE2 MET A 18 -5.281 9.926 -3.025 1.00 1.00 H new ATOM 0 HE3 MET A 18 -6.970 10.311 -3.431 1.00 1.00 H new ATOM 292 N LYS A 19 -8.435 11.804 -9.241 1.00 1.00 N ATOM 293 CA LYS A 19 -9.626 12.488 -9.735 1.00 1.00 C ATOM 294 C LYS A 19 -10.585 11.468 -10.405 1.00 1.00 C ATOM 295 O LYS A 19 -11.800 11.640 -10.448 1.00 1.00 O ATOM 296 CB LYS A 19 -9.287 13.519 -10.801 1.00 1.00 C ATOM 297 CG LYS A 19 -8.818 14.865 -10.247 1.00 1.00 C ATOM 298 CD LYS A 19 -8.864 15.860 -11.401 1.00 1.00 C ATOM 299 CE LYS A 19 -8.178 17.189 -11.125 1.00 1.00 C ATOM 300 NZ LYS A 19 -6.736 17.078 -11.307 1.00 1.00 N ATOM 0 H LYS A 19 -7.567 12.041 -9.720 1.00 1.00 H new ATOM 0 HA LYS A 19 -10.083 12.974 -8.873 1.00 1.00 H new ATOM 0 HB2 LYS A 19 -8.508 13.114 -11.447 1.00 1.00 H new ATOM 0 HB3 LYS A 19 -10.166 13.682 -11.425 1.00 1.00 H new ATOM 0 HG2 LYS A 19 -9.461 15.191 -9.430 1.00 1.00 H new ATOM 0 HG3 LYS A 19 -7.808 14.786 -9.845 1.00 1.00 H new ATOM 0 HD2 LYS A 19 -8.401 15.403 -12.275 1.00 1.00 H new ATOM 0 HD3 LYS A 19 -9.906 16.051 -11.656 1.00 1.00 H new ATOM 0 HE2 LYS A 19 -8.575 17.953 -11.793 1.00 1.00 H new ATOM 0 HE3 LYS A 19 -8.396 17.511 -10.107 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 -6.356 17.990 -11.633 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 -6.291 16.821 -10.403 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 -6.531 16.345 -12.015 1.00 1.00 H new ATOM 314 N ARG A 20 -9.961 10.439 -11.089 1.00 1.00 N ATOM 315 CA ARG A 20 -10.737 9.361 -11.709 1.00 1.00 C ATOM 316 C ARG A 20 -11.372 8.404 -10.670 1.00 1.00 C ATOM 317 O ARG A 20 -12.362 7.726 -10.941 1.00 1.00 O ATOM 318 CB ARG A 20 -9.919 8.475 -12.663 1.00 1.00 C ATOM 319 CG ARG A 20 -9.192 9.173 -13.807 1.00 1.00 C ATOM 320 CD ARG A 20 -10.031 10.157 -14.600 1.00 1.00 C ATOM 321 NE ARG A 20 -9.221 10.811 -15.638 1.00 1.00 N ATOM 322 CZ ARG A 20 -8.608 11.999 -15.459 1.00 1.00 C ATOM 323 NH1 ARG A 20 -8.482 12.552 -14.264 1.00 1.00 N ATOM 324 NH2 ARG A 20 -8.074 12.646 -16.492 1.00 1.00 N ATOM 0 H ARG A 20 -8.951 10.359 -11.207 1.00 1.00 H new ATOM 0 HA ARG A 20 -11.503 9.901 -12.266 1.00 1.00 H new ATOM 0 HB2 ARG A 20 -9.180 7.934 -12.072 1.00 1.00 H new ATOM 0 HB3 ARG A 20 -10.590 7.731 -13.092 1.00 1.00 H new ATOM 0 HG2 ARG A 20 -8.330 9.701 -13.400 1.00 1.00 H new ATOM 0 HG3 ARG A 20 -8.809 8.414 -14.489 1.00 1.00 H new ATOM 0 HD2 ARG A 20 -10.871 9.638 -15.061 1.00 1.00 H new ATOM 0 HD3 ARG A 20 -10.449 10.909 -13.930 1.00 1.00 H new ATOM 0 HE ARG A 20 -9.117 10.343 -16.538 1.00 1.00 H new ATOM 0 HH11 ARG A 20 -8.855 12.078 -13.441 1.00 1.00 H new ATOM 0 HH12 ARG A 20 -8.012 13.452 -14.166 1.00 1.00 H new ATOM 0 HH21 ARG A 20 -8.127 12.244 -17.428 1.00 1.00 H new ATOM 0 HH22 ARG A 20 -7.612 13.544 -16.348 1.00 1.00 H new ATOM 338 N LEU A 21 -10.661 8.240 -9.502 1.00 1.00 N ATOM 339 CA LEU A 21 -11.212 7.468 -8.393 1.00 1.00 C ATOM 340 C LEU A 21 -12.324 8.246 -7.649 1.00 1.00 C ATOM 341 O LEU A 21 -13.183 7.655 -6.995 1.00 1.00 O ATOM 342 CB LEU A 21 -10.124 7.091 -7.382 1.00 1.00 C ATOM 343 CG LEU A 21 -9.195 5.948 -7.826 1.00 1.00 C ATOM 344 CD1 LEU A 21 -7.982 5.882 -6.900 1.00 1.00 C ATOM 345 CD2 LEU A 21 -9.914 4.603 -7.781 1.00 1.00 C ATOM 0 H LEU A 21 -9.734 8.630 -9.333 1.00 1.00 H new ATOM 0 HA LEU A 21 -11.637 6.564 -8.831 1.00 1.00 H new ATOM 0 HB2 LEU A 21 -9.518 7.973 -7.177 1.00 1.00 H new ATOM 0 HB3 LEU A 21 -10.602 6.808 -6.444 1.00 1.00 H new ATOM 0 HG LEU A 21 -8.883 6.150 -8.851 1.00 1.00 H new ATOM 0 HD11 LEU A 21 -7.326 5.071 -7.217 1.00 1.00 H new ATOM 0 HD12 LEU A 21 -7.439 6.826 -6.943 1.00 1.00 H new ATOM 0 HD13 LEU A 21 -8.314 5.701 -5.878 1.00 1.00 H new ATOM 0 HD21 LEU A 21 -9.232 3.815 -8.100 1.00 1.00 H new ATOM 0 HD22 LEU A 21 -10.249 4.403 -6.763 1.00 1.00 H new ATOM 0 HD23 LEU A 21 -10.776 4.629 -8.448 1.00 1.00 H new ATOM 357 N ALA A 22 -12.190 9.615 -7.659 1.00 1.00 N ATOM 358 CA ALA A 22 -13.177 10.537 -7.110 1.00 1.00 C ATOM 359 C ALA A 22 -13.168 10.566 -5.567 1.00 1.00 C ATOM 360 O ALA A 22 -14.186 10.636 -4.881 1.00 1.00 O ATOM 361 CB ALA A 22 -14.571 10.335 -7.692 1.00 1.00 C ATOM 0 H ALA A 22 -11.378 10.086 -8.058 1.00 1.00 H new ATOM 0 HA ALA A 22 -12.868 11.532 -7.432 1.00 1.00 H new ATOM 0 HB1 ALA A 22 -15.260 11.051 -7.243 1.00 1.00 H new ATOM 0 HB2 ALA A 22 -14.541 10.488 -8.771 1.00 1.00 H new ATOM 0 HB3 ALA A 22 -14.911 9.322 -7.479 1.00 1.00 H new ATOM 367 N LEU A 23 -11.900 10.670 -5.016 1.00 1.00 N ATOM 368 CA LEU A 23 -11.755 11.009 -3.605 1.00 1.00 C ATOM 369 C LEU A 23 -11.973 12.528 -3.435 1.00 1.00 C ATOM 370 O LEU A 23 -11.755 13.326 -4.352 1.00 1.00 O ATOM 371 CB LEU A 23 -10.364 10.636 -3.067 1.00 1.00 C ATOM 372 CG LEU A 23 -10.076 9.133 -2.868 1.00 1.00 C ATOM 373 CD1 LEU A 23 -11.097 8.440 -1.969 1.00 1.00 C ATOM 374 CD2 LEU A 23 -9.941 8.385 -4.189 1.00 1.00 C ATOM 0 H LEU A 23 -11.027 10.526 -5.524 1.00 1.00 H new ATOM 0 HA LEU A 23 -12.495 10.442 -3.040 1.00 1.00 H new ATOM 0 HB2 LEU A 23 -9.616 11.038 -3.751 1.00 1.00 H new ATOM 0 HB3 LEU A 23 -10.224 11.139 -2.110 1.00 1.00 H new ATOM 0 HG LEU A 23 -9.114 9.096 -2.357 1.00 1.00 H new ATOM 0 HD11 LEU A 23 -10.838 7.386 -1.869 1.00 1.00 H new ATOM 0 HD12 LEU A 23 -11.093 8.909 -0.985 1.00 1.00 H new ATOM 0 HD13 LEU A 23 -12.090 8.529 -2.410 1.00 1.00 H new ATOM 0 HD21 LEU A 23 -9.739 7.332 -3.992 1.00 1.00 H new ATOM 0 HD22 LEU A 23 -10.868 8.477 -4.755 1.00 1.00 H new ATOM 0 HD23 LEU A 23 -9.120 8.810 -4.766 1.00 1.00 H new ATOM 386 N PRO A 24 -12.355 12.972 -2.184 1.00 1.00 N ATOM 387 CA PRO A 24 -12.613 14.386 -1.970 1.00 1.00 C ATOM 388 C PRO A 24 -11.281 15.156 -1.932 1.00 1.00 C ATOM 389 O PRO A 24 -10.209 14.672 -1.568 1.00 1.00 O ATOM 390 CB PRO A 24 -13.350 14.464 -0.634 1.00 1.00 C ATOM 391 CG PRO A 24 -12.922 13.188 0.084 1.00 1.00 C ATOM 392 CD PRO A 24 -12.794 12.179 -1.048 1.00 1.00 C ATOM 0 HA PRO A 24 -13.207 14.833 -2.767 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -13.069 15.354 -0.072 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -14.430 14.503 -0.773 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -11.979 13.321 0.614 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -13.660 12.874 0.822 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -12.074 11.398 -0.806 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -13.744 11.685 -1.251 1.00 1.00 H new ATOM 400 N SER A 25 -11.390 16.487 -2.288 1.00 1.00 N ATOM 401 CA SER A 25 -10.202 17.147 -2.849 1.00 1.00 C ATOM 402 C SER A 25 -9.005 17.223 -1.893 1.00 1.00 C ATOM 403 O SER A 25 -7.844 17.214 -2.303 1.00 1.00 O ATOM 404 CB SER A 25 -10.556 18.577 -3.268 1.00 1.00 C ATOM 405 OG SER A 25 -11.650 18.544 -4.189 1.00 1.00 O ATOM 0 H SER A 25 -12.226 17.064 -2.198 1.00 1.00 H new ATOM 0 HA SER A 25 -9.903 16.529 -3.695 1.00 1.00 H new ATOM 0 HB2 SER A 25 -10.821 19.169 -2.392 1.00 1.00 H new ATOM 0 HB3 SER A 25 -9.693 19.057 -3.728 1.00 1.00 H new ATOM 0 HG SER A 25 -11.879 19.458 -4.457 1.00 1.00 H new ATOM 411 N ASP A 26 -9.324 17.409 -0.566 1.00 1.00 N ATOM 412 CA ASP A 26 -8.274 17.558 0.449 1.00 1.00 C ATOM 413 C ASP A 26 -7.611 16.193 0.750 1.00 1.00 C ATOM 414 O ASP A 26 -6.447 16.088 1.131 1.00 1.00 O ATOM 415 CB ASP A 26 -8.842 18.180 1.710 1.00 1.00 C ATOM 416 CG ASP A 26 -7.704 18.689 2.578 1.00 1.00 C ATOM 417 OD1 ASP A 26 -6.739 19.254 1.981 1.00 1.00 O ATOM 418 OD2 ASP A 26 -7.841 18.525 3.816 1.00 1.00 O ATOM 0 H ASP A 26 -10.277 17.455 -0.205 1.00 1.00 H new ATOM 0 HA ASP A 26 -7.505 18.225 0.060 1.00 1.00 H new ATOM 0 HB2 ASP A 26 -9.513 19.000 1.454 1.00 1.00 H new ATOM 0 HB3 ASP A 26 -9.431 17.445 2.258 1.00 1.00 H new ATOM 423 N ALA A 27 -8.418 15.077 0.602 1.00 1.00 N ATOM 424 CA ALA A 27 -7.839 13.751 0.818 1.00 1.00 C ATOM 425 C ALA A 27 -6.826 13.383 -0.288 1.00 1.00 C ATOM 426 O ALA A 27 -5.989 12.495 -0.141 1.00 1.00 O ATOM 427 CB ALA A 27 -8.925 12.689 0.891 1.00 1.00 C ATOM 0 H ALA A 27 -9.406 15.093 0.349 1.00 1.00 H new ATOM 0 HA ALA A 27 -7.309 13.786 1.770 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -8.469 11.712 1.052 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -9.600 12.915 1.717 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -9.486 12.678 -0.043 1.00 1.00 H new ATOM 433 N ILE A 28 -6.974 14.060 -1.481 1.00 1.00 N ATOM 434 CA ILE A 28 -5.948 13.988 -2.512 1.00 1.00 C ATOM 435 C ILE A 28 -4.781 14.905 -2.094 1.00 1.00 C ATOM 436 O ILE A 28 -3.610 14.533 -2.187 1.00 1.00 O ATOM 437 CB ILE A 28 -6.517 14.389 -3.892 1.00 1.00 C ATOM 438 CG1 ILE A 28 -7.737 13.511 -4.223 1.00 1.00 C ATOM 439 CG2 ILE A 28 -5.445 14.284 -4.981 1.00 1.00 C ATOM 440 CD1 ILE A 28 -8.482 13.944 -5.472 1.00 1.00 C ATOM 0 H ILE A 28 -7.780 14.638 -1.719 1.00 1.00 H new ATOM 0 HA ILE A 28 -5.590 12.963 -2.610 1.00 1.00 H new ATOM 0 HB ILE A 28 -6.836 15.431 -3.854 1.00 1.00 H new ATOM 0 HG12 ILE A 28 -7.408 12.479 -4.347 1.00 1.00 H new ATOM 0 HG13 ILE A 28 -8.424 13.527 -3.377 1.00 1.00 H new ATOM 0 HG21 ILE A 28 -5.873 14.572 -5.941 1.00 1.00 H new ATOM 0 HG22 ILE A 28 -4.615 14.948 -4.740 1.00 1.00 H new ATOM 0 HG23 ILE A 28 -5.083 13.257 -5.038 1.00 1.00 H new ATOM 0 HD11 ILE A 28 -9.328 13.278 -5.640 1.00 1.00 H new ATOM 0 HD12 ILE A 28 -8.843 14.965 -5.345 1.00 1.00 H new ATOM 0 HD13 ILE A 28 -7.810 13.901 -6.330 1.00 1.00 H new ATOM 452 N ASP A 29 -5.140 16.176 -1.689 1.00 1.00 N ATOM 453 CA ASP A 29 -4.144 17.245 -1.536 1.00 1.00 C ATOM 454 C ASP A 29 -3.127 16.867 -0.441 1.00 1.00 C ATOM 455 O ASP A 29 -1.929 17.136 -0.519 1.00 1.00 O ATOM 456 CB ASP A 29 -4.837 18.543 -1.167 1.00 1.00 C ATOM 457 CG ASP A 29 -3.838 19.683 -1.202 1.00 1.00 C ATOM 458 OD1 ASP A 29 -3.256 19.859 -2.310 1.00 1.00 O ATOM 459 OD2 ASP A 29 -3.759 20.359 -0.136 1.00 1.00 O ATOM 0 H ASP A 29 -6.097 16.456 -1.473 1.00 1.00 H new ATOM 0 HA ASP A 29 -3.616 17.375 -2.481 1.00 1.00 H new ATOM 0 HB2 ASP A 29 -5.654 18.741 -1.861 1.00 1.00 H new ATOM 0 HB3 ASP A 29 -5.276 18.462 -0.173 1.00 1.00 H new ATOM 464 N LYS A 30 -3.661 16.248 0.668 1.00 1.00 N ATOM 465 CA LYS A 30 -2.855 15.914 1.829 1.00 1.00 C ATOM 466 C LYS A 30 -2.033 14.623 1.654 1.00 1.00 C ATOM 467 O LYS A 30 -1.432 14.102 2.598 1.00 1.00 O ATOM 468 CB LYS A 30 -3.702 15.823 3.096 1.00 1.00 C ATOM 469 CG LYS A 30 -4.471 17.101 3.439 1.00 1.00 C ATOM 470 CD LYS A 30 -3.612 18.300 3.852 1.00 1.00 C ATOM 471 CE LYS A 30 -3.257 19.257 2.717 1.00 1.00 C ATOM 472 NZ LYS A 30 -4.410 20.006 2.233 1.00 1.00 N ATOM 0 H LYS A 30 -4.643 15.985 0.751 1.00 1.00 H new ATOM 0 HA LYS A 30 -2.146 16.736 1.931 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -4.414 15.005 2.984 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -3.053 15.569 3.934 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -5.070 17.387 2.574 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -5.166 16.879 4.249 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -4.140 18.857 4.626 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -2.689 17.931 4.299 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -2.494 19.955 3.061 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -2.824 18.691 1.892 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -4.332 20.138 1.204 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -5.281 19.481 2.449 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -4.441 20.935 2.699 1.00 1.00 H new ATOM 486 N ALA A 31 -1.886 14.186 0.358 1.00 1.00 N ATOM 487 CA ALA A 31 -0.808 13.291 -0.019 1.00 1.00 C ATOM 488 C ALA A 31 -0.045 13.699 -1.299 1.00 1.00 C ATOM 489 O ALA A 31 0.806 12.954 -1.795 1.00 1.00 O ATOM 490 CB ALA A 31 -1.270 11.844 -0.088 1.00 1.00 C ATOM 0 H ALA A 31 -2.505 14.451 -0.409 1.00 1.00 H new ATOM 0 HA ALA A 31 -0.081 13.384 0.788 1.00 1.00 H new ATOM 0 HB1 ALA A 31 -0.432 11.208 -0.374 1.00 1.00 H new ATOM 0 HB2 ALA A 31 -1.644 11.535 0.888 1.00 1.00 H new ATOM 0 HB3 ALA A 31 -2.065 11.751 -0.828 1.00 1.00 H new ATOM 496 N ARG A 32 -0.274 14.977 -1.768 1.00 1.00 N ATOM 497 CA ARG A 32 0.492 15.523 -2.874 1.00 1.00 C ATOM 498 C ARG A 32 1.920 15.874 -2.434 1.00 1.00 C ATOM 499 O ARG A 32 2.212 16.440 -1.385 1.00 1.00 O ATOM 500 CB ARG A 32 -0.118 16.808 -3.446 1.00 1.00 C ATOM 501 CG ARG A 32 -1.363 16.585 -4.302 1.00 1.00 C ATOM 502 CD ARG A 32 -1.842 17.915 -4.880 1.00 1.00 C ATOM 503 NE ARG A 32 -3.158 17.804 -5.508 1.00 1.00 N ATOM 504 CZ ARG A 32 -4.185 18.650 -5.371 1.00 1.00 C ATOM 505 NH1 ARG A 32 -4.189 19.693 -4.555 1.00 1.00 N ATOM 506 NH2 ARG A 32 -5.274 18.443 -6.113 1.00 1.00 N ATOM 0 H ARG A 32 -0.975 15.610 -1.384 1.00 1.00 H new ATOM 0 HA ARG A 32 0.486 14.744 -3.636 1.00 1.00 H new ATOM 0 HB2 ARG A 32 -0.373 17.474 -2.621 1.00 1.00 H new ATOM 0 HB3 ARG A 32 0.635 17.318 -4.047 1.00 1.00 H new ATOM 0 HG2 ARG A 32 -1.140 15.887 -5.109 1.00 1.00 H new ATOM 0 HG3 ARG A 32 -2.153 16.135 -3.700 1.00 1.00 H new ATOM 0 HD2 ARG A 32 -1.882 18.661 -4.086 1.00 1.00 H new ATOM 0 HD3 ARG A 32 -1.120 18.271 -5.615 1.00 1.00 H new ATOM 0 HE ARG A 32 -3.308 16.997 -6.114 1.00 1.00 H new ATOM 0 HH11 ARG A 32 -3.371 19.893 -3.979 1.00 1.00 H new ATOM 0 HH12 ARG A 32 -5.010 20.296 -4.503 1.00 1.00 H new ATOM 0 HH21 ARG A 32 -5.307 17.657 -6.762 1.00 1.00 H new ATOM 0 HH22 ARG A 32 -6.074 19.071 -6.031 1.00 1.00 H new ATOM 520 N ASN A 33 2.897 15.611 -3.371 1.00 1.00 N ATOM 521 CA ASN A 33 3.156 14.209 -3.753 1.00 1.00 C ATOM 522 C ASN A 33 4.229 13.737 -2.764 1.00 1.00 C ATOM 523 O ASN A 33 5.395 14.122 -2.825 1.00 1.00 O ATOM 524 CB ASN A 33 3.628 14.068 -5.196 1.00 1.00 C ATOM 525 CG ASN A 33 2.493 13.443 -5.962 1.00 1.00 C ATOM 526 OD1 ASN A 33 1.758 14.072 -6.717 1.00 1.00 O ATOM 527 ND2 ASN A 33 2.256 12.139 -5.662 1.00 1.00 N ATOM 0 H ASN A 33 3.473 16.312 -3.838 1.00 1.00 H new ATOM 0 HA ASN A 33 2.247 13.610 -3.706 1.00 1.00 H new ATOM 0 HB2 ASN A 33 3.889 15.040 -5.615 1.00 1.00 H new ATOM 0 HB3 ASN A 33 4.522 13.446 -5.252 1.00 1.00 H new ATOM 0 HD21 ASN A 33 1.452 11.660 -6.067 1.00 1.00 H new ATOM 0 HD22 ASN A 33 2.883 11.639 -5.031 1.00 1.00 H new ATOM 534 N LEU A 34 3.729 13.028 -1.694 1.00 1.00 N ATOM 535 CA LEU A 34 4.585 12.678 -0.581 1.00 1.00 C ATOM 536 C LEU A 34 5.549 11.549 -0.980 1.00 1.00 C ATOM 537 O LEU A 34 5.322 10.712 -1.851 1.00 1.00 O ATOM 538 CB LEU A 34 3.777 12.231 0.646 1.00 1.00 C ATOM 539 CG LEU A 34 3.129 13.391 1.423 1.00 1.00 C ATOM 540 CD1 LEU A 34 2.199 12.832 2.496 1.00 1.00 C ATOM 541 CD2 LEU A 34 4.173 14.281 2.099 1.00 1.00 C ATOM 0 H LEU A 34 2.763 12.712 -1.610 1.00 1.00 H new ATOM 0 HA LEU A 34 5.146 13.575 -0.318 1.00 1.00 H new ATOM 0 HB2 LEU A 34 2.996 11.542 0.323 1.00 1.00 H new ATOM 0 HB3 LEU A 34 4.433 11.678 1.318 1.00 1.00 H new ATOM 0 HG LEU A 34 2.575 13.995 0.705 1.00 1.00 H new ATOM 0 HD11 LEU A 34 1.741 13.655 3.045 1.00 1.00 H new ATOM 0 HD12 LEU A 34 1.420 12.232 2.026 1.00 1.00 H new ATOM 0 HD13 LEU A 34 2.771 12.210 3.185 1.00 1.00 H new ATOM 0 HD21 LEU A 34 3.672 15.086 2.636 1.00 1.00 H new ATOM 0 HD22 LEU A 34 4.758 13.687 2.801 1.00 1.00 H new ATOM 0 HD23 LEU A 34 4.834 14.705 1.343 1.00 1.00 H new ATOM 553 N LYS A 35 6.686 11.496 -0.193 1.00 1.00 N ATOM 554 CA LYS A 35 7.617 10.389 -0.341 1.00 1.00 C ATOM 555 C LYS A 35 7.002 9.207 0.426 1.00 1.00 C ATOM 556 O LYS A 35 7.186 8.999 1.622 1.00 1.00 O ATOM 557 CB LYS A 35 9.014 10.742 0.178 1.00 1.00 C ATOM 558 CG LYS A 35 9.658 11.872 -0.641 1.00 1.00 C ATOM 559 CD LYS A 35 11.181 11.954 -0.468 1.00 1.00 C ATOM 560 CE LYS A 35 11.974 11.313 -1.607 1.00 1.00 C ATOM 561 NZ LYS A 35 11.693 9.891 -1.711 1.00 1.00 N ATOM 0 H LYS A 35 6.942 12.190 0.510 1.00 1.00 H new ATOM 0 HA LYS A 35 7.760 10.139 -1.392 1.00 1.00 H new ATOM 0 HB2 LYS A 35 8.948 11.043 1.224 1.00 1.00 H new ATOM 0 HB3 LYS A 35 9.650 9.858 0.140 1.00 1.00 H new ATOM 0 HG2 LYS A 35 9.426 11.724 -1.696 1.00 1.00 H new ATOM 0 HG3 LYS A 35 9.214 12.823 -0.347 1.00 1.00 H new ATOM 0 HD2 LYS A 35 11.470 13.001 -0.383 1.00 1.00 H new ATOM 0 HD3 LYS A 35 11.456 11.470 0.469 1.00 1.00 H new ATOM 0 HE2 LYS A 35 11.726 11.805 -2.548 1.00 1.00 H new ATOM 0 HE3 LYS A 35 13.041 11.464 -1.440 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 12.003 9.543 -2.641 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 12.203 9.381 -0.962 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 10.671 9.730 -1.605 1.00 1.00 H new ATOM 575 N ILE A 36 6.120 8.471 -0.338 1.00 1.00 N ATOM 576 CA ILE A 36 5.425 7.313 0.206 1.00 1.00 C ATOM 577 C ILE A 36 6.512 6.218 0.328 1.00 1.00 C ATOM 578 O ILE A 36 7.373 6.004 -0.527 1.00 1.00 O ATOM 579 CB ILE A 36 4.255 6.880 -0.708 1.00 1.00 C ATOM 580 CG1 ILE A 36 3.135 7.947 -0.682 1.00 1.00 C ATOM 581 CG2 ILE A 36 3.690 5.501 -0.355 1.00 1.00 C ATOM 582 CD1 ILE A 36 2.136 7.798 -1.821 1.00 1.00 C ATOM 0 H ILE A 36 5.897 8.679 -1.311 1.00 1.00 H new ATOM 0 HA ILE A 36 4.964 7.522 1.171 1.00 1.00 H new ATOM 0 HB ILE A 36 4.660 6.797 -1.717 1.00 1.00 H new ATOM 0 HG12 ILE A 36 2.605 7.884 0.268 1.00 1.00 H new ATOM 0 HG13 ILE A 36 3.586 8.938 -0.730 1.00 1.00 H new ATOM 0 HG21 ILE A 36 2.873 5.258 -1.034 1.00 1.00 H new ATOM 0 HG22 ILE A 36 4.475 4.751 -0.449 1.00 1.00 H new ATOM 0 HG23 ILE A 36 3.319 5.511 0.670 1.00 1.00 H new ATOM 0 HD11 ILE A 36 1.377 8.577 -1.744 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.655 7.890 -2.775 1.00 1.00 H new ATOM 0 HD13 ILE A 36 1.659 6.820 -1.761 1.00 1.00 H new ATOM 594 N ILE A 37 6.436 5.507 1.504 1.00 1.00 N ATOM 595 CA ILE A 37 7.336 4.401 1.790 1.00 1.00 C ATOM 596 C ILE A 37 6.463 3.145 1.606 1.00 1.00 C ATOM 597 O ILE A 37 5.258 3.141 1.875 1.00 1.00 O ATOM 598 CB ILE A 37 7.927 4.491 3.216 1.00 1.00 C ATOM 599 CG1 ILE A 37 8.445 5.908 3.565 1.00 1.00 C ATOM 600 CG2 ILE A 37 9.085 3.501 3.376 1.00 1.00 C ATOM 601 CD1 ILE A 37 7.398 6.775 4.251 1.00 1.00 C ATOM 0 H ILE A 37 5.759 5.700 2.242 1.00 1.00 H new ATOM 0 HA ILE A 37 8.206 4.397 1.133 1.00 1.00 H new ATOM 0 HB ILE A 37 7.112 4.249 3.898 1.00 1.00 H new ATOM 0 HG12 ILE A 37 9.317 5.820 4.213 1.00 1.00 H new ATOM 0 HG13 ILE A 37 8.776 6.403 2.652 1.00 1.00 H new ATOM 0 HG21 ILE A 37 9.491 3.576 4.385 1.00 1.00 H new ATOM 0 HG22 ILE A 37 8.723 2.487 3.205 1.00 1.00 H new ATOM 0 HG23 ILE A 37 9.866 3.735 2.652 1.00 1.00 H new ATOM 0 HD11 ILE A 37 7.823 7.755 4.469 1.00 1.00 H new ATOM 0 HD12 ILE A 37 6.535 6.892 3.595 1.00 1.00 H new ATOM 0 HD13 ILE A 37 7.085 6.300 5.181 1.00 1.00 H new ATOM 613 N SER A 38 7.115 2.029 1.152 1.00 1.00 N ATOM 614 CA SER A 38 6.416 0.783 0.892 1.00 1.00 C ATOM 615 C SER A 38 7.210 -0.415 1.409 1.00 1.00 C ATOM 616 O SER A 38 8.438 -0.462 1.393 1.00 1.00 O ATOM 617 CB SER A 38 6.158 0.576 -0.613 1.00 1.00 C ATOM 618 OG SER A 38 4.789 0.261 -0.907 1.00 1.00 O ATOM 0 H SER A 38 8.118 1.993 0.968 1.00 1.00 H new ATOM 0 HA SER A 38 5.463 0.852 1.417 1.00 1.00 H new ATOM 0 HB2 SER A 38 6.442 1.480 -1.153 1.00 1.00 H new ATOM 0 HB3 SER A 38 6.797 -0.228 -0.979 1.00 1.00 H new ATOM 0 HG SER A 38 4.429 -0.321 -0.205 1.00 1.00 H new ATOM 624 N GLU A 39 6.422 -1.469 1.790 1.00 1.00 N ATOM 625 CA GLU A 39 6.948 -2.740 2.244 1.00 1.00 C ATOM 626 C GLU A 39 6.331 -3.811 1.338 1.00 1.00 C ATOM 627 O GLU A 39 5.184 -3.715 0.898 1.00 1.00 O ATOM 628 CB GLU A 39 6.519 -3.057 3.685 1.00 1.00 C ATOM 629 CG GLU A 39 7.627 -2.854 4.706 1.00 1.00 C ATOM 630 CD GLU A 39 7.823 -1.445 5.194 1.00 1.00 C ATOM 631 OE1 GLU A 39 7.468 -0.475 4.466 1.00 1.00 O ATOM 632 OE2 GLU A 39 8.419 -1.308 6.302 1.00 1.00 O ATOM 0 H GLU A 39 5.403 -1.431 1.780 1.00 1.00 H new ATOM 0 HA GLU A 39 8.037 -2.711 2.209 1.00 1.00 H new ATOM 0 HB2 GLU A 39 5.671 -2.426 3.950 1.00 1.00 H new ATOM 0 HB3 GLU A 39 6.175 -4.090 3.734 1.00 1.00 H new ATOM 0 HG2 GLU A 39 7.422 -3.490 5.567 1.00 1.00 H new ATOM 0 HG3 GLU A 39 8.564 -3.200 4.270 1.00 1.00 H new ATOM 639 N VAL A 40 7.118 -4.922 1.173 1.00 1.00 N ATOM 640 CA VAL A 40 6.575 -6.161 0.645 1.00 1.00 C ATOM 641 C VAL A 40 7.410 -7.332 1.196 1.00 1.00 C ATOM 642 O VAL A 40 8.642 -7.338 1.184 1.00 1.00 O ATOM 643 CB VAL A 40 6.448 -6.181 -0.894 1.00 1.00 C ATOM 644 CG1 VAL A 40 7.697 -5.670 -1.604 1.00 1.00 C ATOM 645 CG2 VAL A 40 6.078 -7.564 -1.435 1.00 1.00 C ATOM 0 H VAL A 40 8.111 -4.958 1.402 1.00 1.00 H new ATOM 0 HA VAL A 40 5.544 -6.260 0.985 1.00 1.00 H new ATOM 0 HB VAL A 40 5.631 -5.493 -1.114 1.00 1.00 H new ATOM 0 HG11 VAL A 40 7.544 -5.709 -2.683 1.00 1.00 H new ATOM 0 HG12 VAL A 40 7.892 -4.641 -1.302 1.00 1.00 H new ATOM 0 HG13 VAL A 40 8.549 -6.294 -1.335 1.00 1.00 H new ATOM 0 HG21 VAL A 40 6.002 -7.521 -2.521 1.00 1.00 H new ATOM 0 HG22 VAL A 40 6.848 -8.283 -1.153 1.00 1.00 H new ATOM 0 HG23 VAL A 40 5.121 -7.874 -1.016 1.00 1.00 H new ATOM 655 N LYS A 41 6.653 -8.375 1.671 1.00 1.00 N ATOM 656 CA LYS A 41 7.190 -9.690 1.989 1.00 1.00 C ATOM 657 C LYS A 41 6.488 -10.697 1.057 1.00 1.00 C ATOM 658 O LYS A 41 5.304 -10.589 0.737 1.00 1.00 O ATOM 659 CB LYS A 41 6.967 -10.004 3.472 1.00 1.00 C ATOM 660 CG LYS A 41 7.476 -11.385 3.895 1.00 1.00 C ATOM 661 CD LYS A 41 7.565 -11.508 5.419 1.00 1.00 C ATOM 662 CE LYS A 41 7.961 -12.909 5.875 1.00 1.00 C ATOM 663 NZ LYS A 41 6.792 -13.778 5.956 1.00 1.00 N ATOM 0 H LYS A 41 5.649 -8.298 1.836 1.00 1.00 H new ATOM 0 HA LYS A 41 8.267 -9.740 1.828 1.00 1.00 H new ATOM 0 HB2 LYS A 41 7.465 -9.244 4.074 1.00 1.00 H new ATOM 0 HB3 LYS A 41 5.901 -9.937 3.692 1.00 1.00 H new ATOM 0 HG2 LYS A 41 6.810 -12.155 3.505 1.00 1.00 H new ATOM 0 HG3 LYS A 41 8.458 -11.562 3.457 1.00 1.00 H new ATOM 0 HD2 LYS A 41 8.292 -10.789 5.795 1.00 1.00 H new ATOM 0 HD3 LYS A 41 6.602 -11.246 5.857 1.00 1.00 H new ATOM 0 HE2 LYS A 41 8.686 -13.331 5.179 1.00 1.00 H new ATOM 0 HE3 LYS A 41 8.448 -12.855 6.849 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 7.100 -14.763 6.084 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 6.202 -13.492 6.763 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 6.240 -13.700 5.078 1.00 1.00 H new ATOM 677 N GLN A 42 7.294 -11.720 0.608 1.00 1.00 N ATOM 678 CA GLN A 42 6.736 -12.900 -0.042 1.00 1.00 C ATOM 679 C GLN A 42 6.543 -13.993 1.025 1.00 1.00 C ATOM 680 O GLN A 42 7.343 -14.167 1.944 1.00 1.00 O ATOM 681 CB GLN A 42 7.678 -13.410 -1.134 1.00 1.00 C ATOM 682 CG GLN A 42 7.636 -12.500 -2.358 1.00 1.00 C ATOM 683 CD GLN A 42 8.987 -12.403 -3.016 1.00 1.00 C ATOM 684 OE1 GLN A 42 9.220 -13.275 -4.030 1.00 1.00 O flip ATOM 685 NE2 GLN A 42 9.847 -11.599 -2.655 1.00 1.00 N flip ATOM 0 H GLN A 42 8.310 -11.726 0.695 1.00 1.00 H new ATOM 0 HA GLN A 42 5.783 -12.645 -0.506 1.00 1.00 H new ATOM 0 HB2 GLN A 42 8.696 -13.460 -0.748 1.00 1.00 H new ATOM 0 HB3 GLN A 42 7.396 -14.423 -1.419 1.00 1.00 H new ATOM 0 HG2 GLN A 42 6.908 -12.883 -3.073 1.00 1.00 H new ATOM 0 HG3 GLN A 42 7.301 -11.506 -2.063 1.00 1.00 H new ATOM 0 HE21 GLN A 42 9.652 -10.952 -1.891 1.00 1.00 H new ATOM 0 HE22 GLN A 42 10.755 -11.580 -3.120 1.00 1.00 H new ATOM 694 N ASP A 43 5.443 -14.789 0.809 1.00 1.00 N ATOM 695 CA ASP A 43 4.868 -15.647 1.845 1.00 1.00 C ATOM 696 C ASP A 43 4.347 -16.907 1.122 1.00 1.00 C ATOM 697 O ASP A 43 3.220 -17.374 1.266 1.00 1.00 O ATOM 698 CB ASP A 43 3.733 -14.944 2.583 1.00 1.00 C ATOM 699 CG ASP A 43 4.267 -13.931 3.560 1.00 1.00 C ATOM 700 OD1 ASP A 43 5.154 -14.347 4.366 1.00 1.00 O ATOM 701 OD2 ASP A 43 3.778 -12.772 3.499 1.00 1.00 O ATOM 0 H ASP A 43 4.953 -14.837 -0.084 1.00 1.00 H new ATOM 0 HA ASP A 43 5.616 -15.898 2.597 1.00 1.00 H new ATOM 0 HB2 ASP A 43 3.078 -14.451 1.864 1.00 1.00 H new ATOM 0 HB3 ASP A 43 3.128 -15.680 3.112 1.00 1.00 H new ATOM 706 N GLY A 44 5.275 -17.527 0.296 1.00 1.00 N ATOM 707 CA GLY A 44 5.015 -18.898 -0.132 1.00 1.00 C ATOM 708 C GLY A 44 3.896 -18.989 -1.180 1.00 1.00 C ATOM 709 O GLY A 44 3.160 -19.966 -1.260 1.00 1.00 O ATOM 0 H GLY A 44 6.139 -17.108 -0.048 1.00 1.00 H new ATOM 0 HA2 GLY A 44 5.929 -19.325 -0.544 1.00 1.00 H new ATOM 0 HA3 GLY A 44 4.745 -19.500 0.735 1.00 1.00 H new ATOM 713 N GLN A 45 3.891 -17.940 -2.078 1.00 1.00 N ATOM 714 CA GLN A 45 2.899 -17.710 -3.142 1.00 1.00 C ATOM 715 C GLN A 45 1.804 -16.713 -2.695 1.00 1.00 C ATOM 716 O GLN A 45 1.091 -16.120 -3.509 1.00 1.00 O ATOM 717 CB GLN A 45 2.308 -18.971 -3.785 1.00 1.00 C ATOM 718 CG GLN A 45 1.568 -18.672 -5.091 1.00 1.00 C ATOM 719 CD GLN A 45 1.226 -19.920 -5.876 1.00 1.00 C ATOM 720 OE1 GLN A 45 1.573 -21.056 -5.579 1.00 1.00 O ATOM 721 NE2 GLN A 45 0.500 -19.672 -7.004 1.00 1.00 N ATOM 0 H GLN A 45 4.612 -17.219 -2.061 1.00 1.00 H new ATOM 0 HA GLN A 45 3.472 -17.255 -3.950 1.00 1.00 H new ATOM 0 HB2 GLN A 45 3.109 -19.685 -3.980 1.00 1.00 H new ATOM 0 HB3 GLN A 45 1.622 -19.445 -3.083 1.00 1.00 H new ATOM 0 HG2 GLN A 45 0.651 -18.128 -4.866 1.00 1.00 H new ATOM 0 HG3 GLN A 45 2.183 -18.018 -5.709 1.00 1.00 H new ATOM 0 HE21 GLN A 45 0.222 -18.718 -7.232 1.00 1.00 H new ATOM 0 HE22 GLN A 45 0.235 -20.441 -7.620 1.00 1.00 H new ATOM 730 N ASN A 46 1.660 -16.543 -1.333 1.00 1.00 N ATOM 731 CA ASN A 46 1.068 -15.305 -0.838 1.00 1.00 C ATOM 732 C ASN A 46 2.165 -14.223 -0.877 1.00 1.00 C ATOM 733 O ASN A 46 3.367 -14.493 -0.835 1.00 1.00 O ATOM 734 CB ASN A 46 0.518 -15.439 0.573 1.00 1.00 C ATOM 735 CG ASN A 46 -0.936 -15.818 0.528 1.00 1.00 C ATOM 736 OD1 ASN A 46 -1.813 -15.081 0.093 1.00 1.00 O ATOM 737 ND2 ASN A 46 -1.233 -17.065 0.986 1.00 1.00 N ATOM 0 H ASN A 46 1.936 -17.219 -0.620 1.00 1.00 H new ATOM 0 HA ASN A 46 0.220 -15.042 -1.470 1.00 1.00 H new ATOM 0 HB2 ASN A 46 1.082 -16.194 1.121 1.00 1.00 H new ATOM 0 HB3 ASN A 46 0.640 -14.498 1.110 1.00 1.00 H new ATOM 0 HD21 ASN A 46 -2.197 -17.398 0.970 1.00 1.00 H new ATOM 0 HD22 ASN A 46 -0.492 -17.666 1.345 1.00 1.00 H new ATOM 744 N PHE A 47 1.693 -12.946 -0.956 1.00 1.00 N ATOM 745 CA PHE A 47 2.514 -11.741 -0.870 1.00 1.00 C ATOM 746 C PHE A 47 1.782 -10.842 0.141 1.00 1.00 C ATOM 747 O PHE A 47 0.563 -10.667 0.084 1.00 1.00 O ATOM 748 CB PHE A 47 2.577 -10.965 -2.197 1.00 1.00 C ATOM 749 CG PHE A 47 3.572 -11.441 -3.234 1.00 1.00 C ATOM 750 CD1 PHE A 47 3.555 -12.750 -3.730 1.00 1.00 C ATOM 751 CD2 PHE A 47 4.472 -10.525 -3.802 1.00 1.00 C ATOM 752 CE1 PHE A 47 4.442 -13.145 -4.734 1.00 1.00 C ATOM 753 CE2 PHE A 47 5.334 -10.910 -4.831 1.00 1.00 C ATOM 754 CZ PHE A 47 5.323 -12.223 -5.293 1.00 1.00 C ATOM 0 H PHE A 47 0.702 -12.740 -1.085 1.00 1.00 H new ATOM 0 HA PHE A 47 3.535 -12.011 -0.600 1.00 1.00 H new ATOM 0 HB2 PHE A 47 1.585 -10.986 -2.647 1.00 1.00 H new ATOM 0 HB3 PHE A 47 2.801 -9.923 -1.968 1.00 1.00 H new ATOM 0 HD1 PHE A 47 2.848 -13.463 -3.332 1.00 1.00 H new ATOM 0 HD2 PHE A 47 4.498 -9.509 -3.438 1.00 1.00 H new ATOM 0 HE1 PHE A 47 4.445 -14.169 -5.078 1.00 1.00 H new ATOM 0 HE2 PHE A 47 6.009 -10.189 -5.268 1.00 1.00 H new ATOM 0 HZ PHE A 47 5.995 -12.525 -6.082 1.00 1.00 H new ATOM 764 N THR A 48 2.580 -10.245 1.078 1.00 1.00 N ATOM 765 CA THR A 48 2.072 -9.295 2.071 1.00 1.00 C ATOM 766 C THR A 48 2.717 -7.947 1.718 1.00 1.00 C ATOM 767 O THR A 48 3.921 -7.738 1.874 1.00 1.00 O ATOM 768 CB THR A 48 2.428 -9.739 3.500 1.00 1.00 C ATOM 769 OG1 THR A 48 1.784 -10.993 3.781 1.00 1.00 O ATOM 770 CG2 THR A 48 1.938 -8.744 4.547 1.00 1.00 C ATOM 0 H THR A 48 3.582 -10.419 1.151 1.00 1.00 H new ATOM 0 HA THR A 48 0.984 -9.231 2.048 1.00 1.00 H new ATOM 0 HB THR A 48 3.514 -9.813 3.551 1.00 1.00 H new ATOM 0 HG1 THR A 48 2.463 -11.678 3.954 1.00 1.00 H new ATOM 0 HG21 THR A 48 2.211 -9.098 5.541 1.00 1.00 H new ATOM 0 HG22 THR A 48 2.398 -7.772 4.369 1.00 1.00 H new ATOM 0 HG23 THR A 48 0.854 -8.650 4.481 1.00 1.00 H new ATOM 778 N TRP A 49 1.876 -7.057 1.088 1.00 1.00 N ATOM 779 CA TRP A 49 2.300 -5.733 0.629 1.00 1.00 C ATOM 780 C TRP A 49 1.834 -4.675 1.654 1.00 1.00 C ATOM 781 O TRP A 49 0.859 -4.811 2.399 1.00 1.00 O ATOM 782 CB TRP A 49 1.661 -5.416 -0.739 1.00 1.00 C ATOM 783 CG TRP A 49 2.492 -4.520 -1.616 1.00 1.00 C ATOM 784 CD1 TRP A 49 2.624 -3.148 -1.518 1.00 1.00 C ATOM 785 CD2 TRP A 49 3.253 -4.918 -2.766 1.00 1.00 C ATOM 786 NE1 TRP A 49 3.512 -2.725 -2.471 1.00 1.00 N ATOM 787 CE2 TRP A 49 3.871 -3.777 -3.277 1.00 1.00 C ATOM 788 CE3 TRP A 49 3.462 -6.143 -3.432 1.00 1.00 C ATOM 789 CZ2 TRP A 49 4.673 -3.796 -4.424 1.00 1.00 C ATOM 790 CZ3 TRP A 49 4.247 -6.178 -4.592 1.00 1.00 C ATOM 791 CH2 TRP A 49 4.843 -5.018 -5.079 1.00 1.00 C ATOM 0 H TRP A 49 0.895 -7.260 0.897 1.00 1.00 H new ATOM 0 HA TRP A 49 3.386 -5.718 0.532 1.00 1.00 H new ATOM 0 HB2 TRP A 49 1.476 -6.352 -1.266 1.00 1.00 H new ATOM 0 HB3 TRP A 49 0.691 -4.946 -0.574 1.00 1.00 H new ATOM 0 HD1 TRP A 49 2.112 -2.515 -0.808 1.00 1.00 H new ATOM 0 HE1 TRP A 49 3.856 -1.770 -2.568 1.00 1.00 H new ATOM 0 HE3 TRP A 49 3.019 -7.051 -3.050 1.00 1.00 H new ATOM 0 HZ2 TRP A 49 5.145 -2.896 -4.790 1.00 1.00 H new ATOM 0 HZ3 TRP A 49 4.391 -7.113 -5.113 1.00 1.00 H new ATOM 0 HH2 TRP A 49 5.445 -5.063 -5.975 1.00 1.00 H new ATOM 802 N SER A 50 2.530 -3.491 1.634 1.00 1.00 N ATOM 803 CA SER A 50 2.063 -2.305 2.339 1.00 1.00 C ATOM 804 C SER A 50 2.656 -1.027 1.738 1.00 1.00 C ATOM 805 O SER A 50 3.781 -0.985 1.242 1.00 1.00 O ATOM 806 CB SER A 50 2.385 -2.349 3.837 1.00 1.00 C ATOM 807 OG SER A 50 1.452 -3.174 4.544 1.00 1.00 O ATOM 0 H SER A 50 3.409 -3.360 1.133 1.00 1.00 H new ATOM 0 HA SER A 50 0.980 -2.295 2.220 1.00 1.00 H new ATOM 0 HB2 SER A 50 3.395 -2.731 3.983 1.00 1.00 H new ATOM 0 HB3 SER A 50 2.364 -1.339 4.246 1.00 1.00 H new ATOM 0 HG SER A 50 1.086 -3.849 3.935 1.00 1.00 H new ATOM 813 N GLN A 51 1.856 0.085 1.836 1.00 1.00 N ATOM 814 CA GLN A 51 2.325 1.451 1.595 1.00 1.00 C ATOM 815 C GLN A 51 2.059 2.195 2.920 1.00 1.00 C ATOM 816 O GLN A 51 0.959 2.125 3.477 1.00 1.00 O ATOM 817 CB GLN A 51 1.552 2.152 0.473 1.00 1.00 C ATOM 818 CG GLN A 51 1.536 1.383 -0.847 1.00 1.00 C ATOM 819 CD GLN A 51 2.005 2.237 -2.001 1.00 1.00 C ATOM 820 OE1 GLN A 51 1.245 2.855 -2.741 1.00 1.00 O ATOM 821 NE2 GLN A 51 3.356 2.301 -2.151 1.00 1.00 N ATOM 0 H GLN A 51 0.868 0.035 2.086 1.00 1.00 H new ATOM 0 HA GLN A 51 3.371 1.444 1.289 1.00 1.00 H new ATOM 0 HB2 GLN A 51 0.525 2.313 0.800 1.00 1.00 H new ATOM 0 HB3 GLN A 51 1.991 3.135 0.303 1.00 1.00 H new ATOM 0 HG2 GLN A 51 2.175 0.504 -0.763 1.00 1.00 H new ATOM 0 HG3 GLN A 51 0.526 1.025 -1.047 1.00 1.00 H new ATOM 0 HE21 GLN A 51 3.964 1.777 -1.522 1.00 1.00 H new ATOM 0 HE22 GLN A 51 3.760 2.873 -2.893 1.00 1.00 H new ATOM 830 N GLN A 52 3.116 2.889 3.464 1.00 1.00 N ATOM 831 CA GLN A 52 2.899 3.824 4.563 1.00 1.00 C ATOM 832 C GLN A 52 2.531 5.200 3.978 1.00 1.00 C ATOM 833 O GLN A 52 3.214 5.756 3.119 1.00 1.00 O ATOM 834 CB GLN A 52 4.145 4.048 5.430 1.00 1.00 C ATOM 835 CG GLN A 52 4.499 2.866 6.328 1.00 1.00 C ATOM 836 CD GLN A 52 5.760 2.169 5.877 1.00 1.00 C ATOM 837 OE1 GLN A 52 6.839 2.301 6.448 1.00 1.00 O ATOM 838 NE2 GLN A 52 5.617 1.397 4.768 1.00 1.00 N ATOM 0 H GLN A 52 4.084 2.805 3.154 1.00 1.00 H new ATOM 0 HA GLN A 52 2.113 3.390 5.181 1.00 1.00 H new ATOM 0 HB2 GLN A 52 4.993 4.264 4.780 1.00 1.00 H new ATOM 0 HB3 GLN A 52 3.988 4.929 6.052 1.00 1.00 H new ATOM 0 HG2 GLN A 52 4.625 3.215 7.353 1.00 1.00 H new ATOM 0 HG3 GLN A 52 3.673 2.154 6.332 1.00 1.00 H new ATOM 0 HE21 GLN A 52 4.704 1.311 4.321 1.00 1.00 H new ATOM 0 HE22 GLN A 52 6.422 0.903 4.383 1.00 1.00 H new ATOM 847 N TYR A 53 1.400 5.760 4.523 1.00 1.00 N ATOM 848 CA TYR A 53 1.047 7.163 4.295 1.00 1.00 C ATOM 849 C TYR A 53 1.605 7.940 5.514 1.00 1.00 C ATOM 850 O TYR A 53 1.294 7.596 6.663 1.00 1.00 O ATOM 851 CB TYR A 53 -0.485 7.280 4.215 1.00 1.00 C ATOM 852 CG TYR A 53 -1.019 8.684 4.276 1.00 1.00 C ATOM 853 CD1 TYR A 53 -0.574 9.661 3.381 1.00 1.00 C ATOM 854 CD2 TYR A 53 -1.971 9.029 5.250 1.00 1.00 C ATOM 855 CE1 TYR A 53 -1.030 10.971 3.498 1.00 1.00 C ATOM 856 CE2 TYR A 53 -2.447 10.336 5.342 1.00 1.00 C ATOM 857 CZ TYR A 53 -1.961 11.300 4.475 1.00 1.00 C ATOM 858 OH TYR A 53 -2.415 12.578 4.609 1.00 1.00 O ATOM 0 H TYR A 53 0.741 5.251 5.112 1.00 1.00 H new ATOM 0 HA TYR A 53 1.458 7.560 3.367 1.00 1.00 H new ATOM 0 HB2 TYR A 53 -0.821 6.819 3.286 1.00 1.00 H new ATOM 0 HB3 TYR A 53 -0.921 6.706 5.032 1.00 1.00 H new ATOM 0 HD1 TYR A 53 0.123 9.400 2.599 1.00 1.00 H new ATOM 0 HD2 TYR A 53 -2.337 8.276 5.932 1.00 1.00 H new ATOM 0 HE1 TYR A 53 -0.659 11.733 2.828 1.00 1.00 H new ATOM 0 HE2 TYR A 53 -3.189 10.595 6.083 1.00 1.00 H new ATOM 0 HH TYR A 53 -2.154 13.102 3.823 1.00 1.00 H new ATOM 868 N PRO A 54 2.433 9.024 5.310 1.00 1.00 N ATOM 869 CA PRO A 54 2.988 9.811 6.435 1.00 1.00 C ATOM 870 C PRO A 54 1.951 10.699 7.173 1.00 1.00 C ATOM 871 O PRO A 54 2.063 11.916 7.299 1.00 1.00 O ATOM 872 CB PRO A 54 4.083 10.675 5.794 1.00 1.00 C ATOM 873 CG PRO A 54 4.482 9.900 4.552 1.00 1.00 C ATOM 874 CD PRO A 54 3.161 9.320 4.080 1.00 1.00 C ATOM 0 HA PRO A 54 3.354 9.141 7.213 1.00 1.00 H new ATOM 0 HB2 PRO A 54 3.711 11.668 5.542 1.00 1.00 H new ATOM 0 HB3 PRO A 54 4.929 10.812 6.468 1.00 1.00 H new ATOM 0 HG2 PRO A 54 4.932 10.547 3.799 1.00 1.00 H new ATOM 0 HG3 PRO A 54 5.209 9.120 4.778 1.00 1.00 H new ATOM 0 HD2 PRO A 54 2.616 10.029 3.457 1.00 1.00 H new ATOM 0 HD3 PRO A 54 3.313 8.421 3.482 1.00 1.00 H new ATOM 882 N GLY A 55 0.927 9.999 7.776 1.00 1.00 N ATOM 883 CA GLY A 55 -0.244 10.690 8.284 1.00 1.00 C ATOM 884 C GLY A 55 -1.191 9.718 8.990 1.00 1.00 C ATOM 885 O GLY A 55 -2.405 9.885 9.054 1.00 1.00 O ATOM 0 H GLY A 55 0.917 8.987 7.904 1.00 1.00 H new ATOM 0 HA2 GLY A 55 0.064 11.472 8.978 1.00 1.00 H new ATOM 0 HA3 GLY A 55 -0.766 11.180 7.462 1.00 1.00 H new ATOM 889 N GLY A 56 -0.545 8.690 9.657 1.00 1.00 N ATOM 890 CA GLY A 56 -1.258 7.926 10.665 1.00 1.00 C ATOM 891 C GLY A 56 -2.052 6.735 10.116 1.00 1.00 C ATOM 892 O GLY A 56 -2.934 6.168 10.765 1.00 1.00 O ATOM 0 H GLY A 56 0.423 8.409 9.500 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -0.541 7.561 11.400 1.00 1.00 H new ATOM 0 HA3 GLY A 56 -1.943 8.592 11.191 1.00 1.00 H new ATOM 896 N HIS A 57 -1.617 6.232 8.910 1.00 1.00 N ATOM 897 CA HIS A 57 -2.102 4.943 8.440 1.00 1.00 C ATOM 898 C HIS A 57 -1.156 4.365 7.383 1.00 1.00 C ATOM 899 O HIS A 57 -0.343 5.038 6.754 1.00 1.00 O ATOM 900 CB HIS A 57 -3.531 5.019 7.862 1.00 1.00 C ATOM 901 CG HIS A 57 -4.402 3.941 8.426 1.00 1.00 C ATOM 902 ND1 HIS A 57 -4.604 2.720 7.757 1.00 1.00 N ATOM 903 CD2 HIS A 57 -5.116 3.934 9.658 1.00 1.00 C ATOM 904 CE1 HIS A 57 -5.438 1.973 8.580 1.00 1.00 C ATOM 905 NE2 HIS A 57 -5.763 2.704 9.754 1.00 1.00 N ATOM 0 H HIS A 57 -0.957 6.700 8.289 1.00 1.00 H new ATOM 0 HA HIS A 57 -2.131 4.288 9.311 1.00 1.00 H new ATOM 0 HB2 HIS A 57 -3.965 5.994 8.085 1.00 1.00 H new ATOM 0 HB3 HIS A 57 -3.492 4.928 6.777 1.00 1.00 H new ATOM 0 HD1 HIS A 57 -4.218 2.441 6.855 1.00 1.00 H new ATOM 0 HD2 HIS A 57 -5.150 4.734 10.383 1.00 1.00 H new ATOM 0 HE1 HIS A 57 -5.790 0.976 8.358 1.00 1.00 H new ATOM 914 N SER A 58 -1.331 3.023 7.165 1.00 1.00 N ATOM 915 CA SER A 58 -0.855 2.376 5.956 1.00 1.00 C ATOM 916 C SER A 58 -2.075 1.990 5.111 1.00 1.00 C ATOM 917 O SER A 58 -3.209 1.861 5.580 1.00 1.00 O ATOM 918 CB SER A 58 -0.058 1.109 6.282 1.00 1.00 C ATOM 919 OG SER A 58 -0.815 0.273 7.167 1.00 1.00 O ATOM 0 H SER A 58 -1.797 2.397 7.821 1.00 1.00 H new ATOM 0 HA SER A 58 -0.201 3.063 5.419 1.00 1.00 H new ATOM 0 HB2 SER A 58 0.173 0.568 5.365 1.00 1.00 H new ATOM 0 HB3 SER A 58 0.893 1.375 6.743 1.00 1.00 H new ATOM 0 HG SER A 58 -0.862 -0.634 6.800 1.00 1.00 H new ATOM 925 N ILE A 59 -1.772 1.786 3.787 1.00 1.00 N ATOM 926 CA ILE A 59 -2.629 0.983 2.928 1.00 1.00 C ATOM 927 C ILE A 59 -1.864 -0.367 2.885 1.00 1.00 C ATOM 928 O ILE A 59 -0.810 -0.496 2.260 1.00 1.00 O ATOM 929 CB ILE A 59 -2.789 1.631 1.540 1.00 1.00 C ATOM 930 CG1 ILE A 59 -3.605 2.945 1.573 1.00 1.00 C ATOM 931 CG2 ILE A 59 -3.520 0.667 0.591 1.00 1.00 C ATOM 932 CD1 ILE A 59 -2.975 4.128 2.289 1.00 1.00 C ATOM 0 H ILE A 59 -0.949 2.171 3.323 1.00 1.00 H new ATOM 0 HA ILE A 59 -3.654 0.875 3.283 1.00 1.00 H new ATOM 0 HB ILE A 59 -1.779 1.854 1.197 1.00 1.00 H new ATOM 0 HG12 ILE A 59 -3.812 3.242 0.545 1.00 1.00 H new ATOM 0 HG13 ILE A 59 -4.566 2.736 2.044 1.00 1.00 H new ATOM 0 HG21 ILE A 59 -3.629 1.133 -0.388 1.00 1.00 H new ATOM 0 HG22 ILE A 59 -2.944 -0.253 0.493 1.00 1.00 H new ATOM 0 HG23 ILE A 59 -4.506 0.437 0.995 1.00 1.00 H new ATOM 0 HD11 ILE A 59 -3.648 4.984 2.239 1.00 1.00 H new ATOM 0 HD12 ILE A 59 -2.795 3.868 3.332 1.00 1.00 H new ATOM 0 HD13 ILE A 59 -2.029 4.382 1.810 1.00 1.00 H new ATOM 944 N THR A 60 -2.361 -1.326 3.735 1.00 1.00 N ATOM 945 CA THR A 60 -1.783 -2.678 3.893 1.00 1.00 C ATOM 946 C THR A 60 -2.707 -3.667 3.167 1.00 1.00 C ATOM 947 O THR A 60 -3.923 -3.472 3.105 1.00 1.00 O ATOM 948 CB THR A 60 -1.653 -2.999 5.397 1.00 1.00 C ATOM 949 OG1 THR A 60 -0.595 -2.194 5.966 1.00 1.00 O ATOM 950 CG2 THR A 60 -1.375 -4.461 5.727 1.00 1.00 C ATOM 0 H THR A 60 -3.177 -1.167 4.325 1.00 1.00 H new ATOM 0 HA THR A 60 -0.785 -2.746 3.459 1.00 1.00 H new ATOM 0 HB THR A 60 -2.629 -2.770 5.826 1.00 1.00 H new ATOM 0 HG1 THR A 60 0.224 -2.313 5.442 1.00 1.00 H new ATOM 0 HG21 THR A 60 -1.301 -4.582 6.808 1.00 1.00 H new ATOM 0 HG22 THR A 60 -2.187 -5.081 5.347 1.00 1.00 H new ATOM 0 HG23 THR A 60 -0.437 -4.767 5.263 1.00 1.00 H new ATOM 958 N ASN A 61 -2.101 -4.771 2.618 1.00 1.00 N ATOM 959 CA ASN A 61 -2.833 -5.812 1.882 1.00 1.00 C ATOM 960 C ASN A 61 -1.991 -7.103 1.880 1.00 1.00 C ATOM 961 O ASN A 61 -0.774 -7.072 1.708 1.00 1.00 O ATOM 962 CB ASN A 61 -3.040 -5.415 0.418 1.00 1.00 C ATOM 963 CG ASN A 61 -4.467 -5.099 0.042 1.00 1.00 C ATOM 964 OD1 ASN A 61 -4.981 -5.529 -0.986 1.00 1.00 O ATOM 965 ND2 ASN A 61 -5.156 -4.225 0.819 1.00 1.00 N ATOM 0 H ASN A 61 -1.098 -4.946 2.683 1.00 1.00 H new ATOM 0 HA ASN A 61 -3.799 -5.950 2.368 1.00 1.00 H new ATOM 0 HB2 ASN A 61 -2.421 -4.544 0.202 1.00 1.00 H new ATOM 0 HB3 ASN A 61 -2.683 -6.226 -0.217 1.00 1.00 H new ATOM 0 HD21 ASN A 61 -6.094 -3.930 0.547 1.00 1.00 H new ATOM 0 HD22 ASN A 61 -4.736 -3.863 1.675 1.00 1.00 H new ATOM 972 N THR A 62 -2.703 -8.270 1.994 1.00 1.00 N ATOM 973 CA THR A 62 -2.107 -9.566 1.631 1.00 1.00 C ATOM 974 C THR A 62 -2.879 -10.013 0.384 1.00 1.00 C ATOM 975 O THR A 62 -4.086 -9.803 0.257 1.00 1.00 O ATOM 976 CB THR A 62 -2.221 -10.599 2.768 1.00 1.00 C ATOM 977 OG1 THR A 62 -1.430 -10.181 3.894 1.00 1.00 O ATOM 978 CG2 THR A 62 -1.781 -12.008 2.381 1.00 1.00 C ATOM 0 H THR A 62 -3.665 -8.324 2.328 1.00 1.00 H new ATOM 0 HA THR A 62 -1.037 -9.477 1.444 1.00 1.00 H new ATOM 0 HB THR A 62 -3.283 -10.643 3.011 1.00 1.00 H new ATOM 0 HG1 THR A 62 -0.499 -10.454 3.759 1.00 1.00 H new ATOM 0 HG21 THR A 62 -1.893 -12.672 3.238 1.00 1.00 H new ATOM 0 HG22 THR A 62 -2.399 -12.369 1.559 1.00 1.00 H new ATOM 0 HG23 THR A 62 -0.737 -11.990 2.070 1.00 1.00 H new ATOM 986 N PHE A 63 -2.141 -10.679 -0.558 1.00 1.00 N ATOM 987 CA PHE A 63 -2.750 -11.246 -1.754 1.00 1.00 C ATOM 988 C PHE A 63 -1.992 -12.527 -2.147 1.00 1.00 C ATOM 989 O PHE A 63 -0.819 -12.731 -1.832 1.00 1.00 O ATOM 990 CB PHE A 63 -2.883 -10.234 -2.902 1.00 1.00 C ATOM 991 CG PHE A 63 -1.597 -9.660 -3.455 1.00 1.00 C ATOM 992 CD1 PHE A 63 -0.812 -10.405 -4.348 1.00 1.00 C ATOM 993 CD2 PHE A 63 -1.198 -8.357 -3.133 1.00 1.00 C ATOM 994 CE1 PHE A 63 0.334 -9.851 -4.920 1.00 1.00 C ATOM 995 CE2 PHE A 63 -0.051 -7.805 -3.711 1.00 1.00 C ATOM 996 CZ PHE A 63 0.711 -8.550 -4.608 1.00 1.00 C ATOM 0 H PHE A 63 -1.133 -10.823 -0.492 1.00 1.00 H new ATOM 0 HA PHE A 63 -3.781 -11.516 -1.527 1.00 1.00 H new ATOM 0 HB2 PHE A 63 -3.420 -10.716 -3.719 1.00 1.00 H new ATOM 0 HB3 PHE A 63 -3.504 -9.407 -2.556 1.00 1.00 H new ATOM 0 HD1 PHE A 63 -1.097 -11.417 -4.595 1.00 1.00 H new ATOM 0 HD2 PHE A 63 -1.780 -7.775 -2.434 1.00 1.00 H new ATOM 0 HE1 PHE A 63 0.929 -10.434 -5.607 1.00 1.00 H new ATOM 0 HE2 PHE A 63 0.245 -6.797 -3.461 1.00 1.00 H new ATOM 0 HZ PHE A 63 1.592 -8.118 -5.060 1.00 1.00 H new ATOM 1006 N THR A 64 -2.722 -13.429 -2.879 1.00 1.00 N ATOM 1007 CA THR A 64 -2.214 -14.738 -3.285 1.00 1.00 C ATOM 1008 C THR A 64 -2.127 -14.749 -4.813 1.00 1.00 C ATOM 1009 O THR A 64 -3.098 -14.543 -5.538 1.00 1.00 O ATOM 1010 CB THR A 64 -3.143 -15.887 -2.841 1.00 1.00 C ATOM 1011 OG1 THR A 64 -3.789 -15.628 -1.589 1.00 1.00 O ATOM 1012 CG2 THR A 64 -2.386 -17.206 -2.730 1.00 1.00 C ATOM 0 H THR A 64 -3.676 -13.247 -3.192 1.00 1.00 H new ATOM 0 HA THR A 64 -1.243 -14.894 -2.814 1.00 1.00 H new ATOM 0 HB THR A 64 -3.905 -15.958 -3.617 1.00 1.00 H new ATOM 0 HG1 THR A 64 -3.125 -15.324 -0.935 1.00 1.00 H new ATOM 0 HG21 THR A 64 -3.071 -17.993 -2.415 1.00 1.00 H new ATOM 0 HG22 THR A 64 -1.959 -17.463 -3.699 1.00 1.00 H new ATOM 0 HG23 THR A 64 -1.586 -17.106 -1.996 1.00 1.00 H new ATOM 1020 N ILE A 65 -0.868 -14.979 -5.316 1.00 1.00 N ATOM 1021 CA ILE A 65 -0.640 -14.968 -6.754 1.00 1.00 C ATOM 1022 C ILE A 65 -1.186 -16.265 -7.388 1.00 1.00 C ATOM 1023 O ILE A 65 -1.002 -17.379 -6.898 1.00 1.00 O ATOM 1024 CB ILE A 65 0.865 -14.695 -7.035 1.00 1.00 C ATOM 1025 CG1 ILE A 65 1.055 -13.161 -7.073 1.00 1.00 C ATOM 1026 CG2 ILE A 65 1.422 -15.428 -8.255 1.00 1.00 C ATOM 1027 CD1 ILE A 65 2.406 -12.652 -7.532 1.00 1.00 C ATOM 0 H ILE A 65 -0.041 -15.165 -4.748 1.00 1.00 H new ATOM 0 HA ILE A 65 -1.191 -14.158 -7.231 1.00 1.00 H new ATOM 0 HB ILE A 65 1.467 -15.117 -6.230 1.00 1.00 H new ATOM 0 HG12 ILE A 65 0.293 -12.740 -7.729 1.00 1.00 H new ATOM 0 HG13 ILE A 65 0.866 -12.770 -6.073 1.00 1.00 H new ATOM 0 HG21 ILE A 65 2.477 -15.181 -8.378 1.00 1.00 H new ATOM 0 HG22 ILE A 65 1.315 -16.503 -8.113 1.00 1.00 H new ATOM 0 HG23 ILE A 65 0.872 -15.123 -9.145 1.00 1.00 H new ATOM 0 HD11 ILE A 65 2.410 -11.562 -7.514 1.00 1.00 H new ATOM 0 HD12 ILE A 65 3.182 -13.029 -6.866 1.00 1.00 H new ATOM 0 HD13 ILE A 65 2.600 -12.998 -8.547 1.00 1.00 H new ATOM 1039 N GLY A 66 -1.834 -16.072 -8.592 1.00 1.00 N ATOM 1040 CA GLY A 66 -2.387 -17.176 -9.353 1.00 1.00 C ATOM 1041 C GLY A 66 -3.848 -17.525 -9.050 1.00 1.00 C ATOM 1042 O GLY A 66 -4.344 -18.585 -9.432 1.00 1.00 O ATOM 0 H GLY A 66 -1.967 -15.158 -9.024 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -2.301 -16.941 -10.414 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -1.776 -18.060 -9.172 1.00 1.00 H new ATOM 1046 N LYS A 67 -4.593 -16.548 -8.437 1.00 1.00 N ATOM 1047 CA LYS A 67 -6.027 -16.693 -8.214 1.00 1.00 C ATOM 1048 C LYS A 67 -6.682 -15.288 -8.166 1.00 1.00 C ATOM 1049 O LYS A 67 -6.054 -14.257 -8.422 1.00 1.00 O ATOM 1050 CB LYS A 67 -6.316 -17.550 -6.963 1.00 1.00 C ATOM 1051 CG LYS A 67 -5.860 -16.900 -5.652 1.00 1.00 C ATOM 1052 CD LYS A 67 -6.289 -17.616 -4.359 1.00 1.00 C ATOM 1053 CE LYS A 67 -7.689 -18.217 -4.298 1.00 1.00 C ATOM 1054 NZ LYS A 67 -8.708 -17.175 -4.260 1.00 1.00 N ATOM 0 H LYS A 67 -4.204 -15.667 -8.100 1.00 1.00 H new ATOM 0 HA LYS A 67 -6.478 -17.236 -9.045 1.00 1.00 H new ATOM 0 HB2 LYS A 67 -7.387 -17.747 -6.908 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -5.820 -18.515 -7.072 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -4.772 -16.832 -5.662 1.00 1.00 H new ATOM 0 HG3 LYS A 67 -6.243 -15.880 -5.623 1.00 1.00 H new ATOM 0 HD2 LYS A 67 -5.574 -18.417 -4.169 1.00 1.00 H new ATOM 0 HD3 LYS A 67 -6.196 -16.905 -3.538 1.00 1.00 H new ATOM 0 HE2 LYS A 67 -7.851 -18.857 -5.165 1.00 1.00 H new ATOM 0 HE3 LYS A 67 -7.778 -18.849 -3.415 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 -9.152 -17.157 -3.320 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 -8.268 -16.252 -4.453 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 -9.432 -17.371 -4.981 1.00 1.00 H new ATOM 1068 N GLU A 68 -8.031 -15.269 -7.851 1.00 1.00 N ATOM 1069 CA GLU A 68 -8.643 -14.037 -7.384 1.00 1.00 C ATOM 1070 C GLU A 68 -8.418 -13.894 -5.862 1.00 1.00 C ATOM 1071 O GLU A 68 -8.253 -14.855 -5.108 1.00 1.00 O ATOM 1072 CB GLU A 68 -10.122 -13.911 -7.778 1.00 1.00 C ATOM 1073 CG GLU A 68 -10.990 -15.164 -7.639 1.00 1.00 C ATOM 1074 CD GLU A 68 -11.033 -15.681 -6.215 1.00 1.00 C ATOM 1075 OE1 GLU A 68 -11.708 -15.004 -5.386 1.00 1.00 O ATOM 1076 OE2 GLU A 68 -10.336 -16.719 -5.996 1.00 1.00 O ATOM 0 H GLU A 68 -8.659 -16.070 -7.919 1.00 1.00 H new ATOM 0 HA GLU A 68 -8.153 -13.204 -7.888 1.00 1.00 H new ATOM 0 HB2 GLU A 68 -10.567 -13.122 -7.172 1.00 1.00 H new ATOM 0 HB3 GLU A 68 -10.169 -13.581 -8.816 1.00 1.00 H new ATOM 0 HG2 GLU A 68 -12.003 -14.940 -7.972 1.00 1.00 H new ATOM 0 HG3 GLU A 68 -10.604 -15.945 -8.295 1.00 1.00 H new ATOM 1083 N CYS A 69 -8.443 -12.614 -5.397 1.00 1.00 N ATOM 1084 CA CYS A 69 -8.422 -12.275 -3.986 1.00 1.00 C ATOM 1085 C CYS A 69 -9.563 -11.274 -3.766 1.00 1.00 C ATOM 1086 O CYS A 69 -10.032 -10.580 -4.670 1.00 1.00 O ATOM 1087 CB CYS A 69 -7.101 -11.656 -3.526 1.00 1.00 C ATOM 1088 SG CYS A 69 -5.751 -12.876 -3.589 1.00 1.00 S ATOM 0 H CYS A 69 -8.478 -11.800 -6.011 1.00 1.00 H new ATOM 0 HA CYS A 69 -8.539 -13.187 -3.401 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -6.855 -10.803 -4.159 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -7.207 -11.278 -2.509 1.00 1.00 H new ATOM 0 HG CYS A 69 -4.825 -12.457 -4.399 1.00 1.00 H new ATOM 1094 N ASP A 70 -9.994 -11.224 -2.464 1.00 1.00 N ATOM 1095 CA ASP A 70 -10.942 -10.212 -2.014 1.00 1.00 C ATOM 1096 C ASP A 70 -10.100 -8.983 -1.628 1.00 1.00 C ATOM 1097 O ASP A 70 -8.962 -9.102 -1.173 1.00 1.00 O ATOM 1098 CB ASP A 70 -11.683 -10.672 -0.771 1.00 1.00 C ATOM 1099 CG ASP A 70 -12.864 -11.567 -1.048 1.00 1.00 C ATOM 1100 OD1 ASP A 70 -12.785 -12.356 -2.032 1.00 1.00 O ATOM 1101 OD2 ASP A 70 -13.837 -11.419 -0.253 1.00 1.00 O ATOM 0 H ASP A 70 -9.691 -11.872 -1.737 1.00 1.00 H new ATOM 0 HA ASP A 70 -11.672 -10.008 -2.797 1.00 1.00 H new ATOM 0 HB2 ASP A 70 -10.986 -11.201 -0.122 1.00 1.00 H new ATOM 0 HB3 ASP A 70 -12.027 -9.795 -0.222 1.00 1.00 H new ATOM 1106 N ILE A 71 -10.720 -7.769 -1.805 1.00 1.00 N ATOM 1107 CA ILE A 71 -10.119 -6.516 -1.371 1.00 1.00 C ATOM 1108 C ILE A 71 -11.264 -5.625 -0.824 1.00 1.00 C ATOM 1109 O ILE A 71 -12.363 -5.546 -1.377 1.00 1.00 O ATOM 1110 CB ILE A 71 -9.418 -5.763 -2.535 1.00 1.00 C ATOM 1111 CG1 ILE A 71 -8.544 -6.643 -3.458 1.00 1.00 C ATOM 1112 CG2 ILE A 71 -8.610 -4.576 -2.002 1.00 1.00 C ATOM 1113 CD1 ILE A 71 -7.206 -7.062 -2.868 1.00 1.00 C ATOM 0 H ILE A 71 -11.633 -7.661 -2.247 1.00 1.00 H new ATOM 0 HA ILE A 71 -9.361 -6.731 -0.618 1.00 1.00 H new ATOM 0 HB ILE A 71 -10.231 -5.410 -3.169 1.00 1.00 H new ATOM 0 HG12 ILE A 71 -9.106 -7.540 -3.719 1.00 1.00 H new ATOM 0 HG13 ILE A 71 -8.361 -6.101 -4.386 1.00 1.00 H new ATOM 0 HG21 ILE A 71 -8.127 -4.062 -2.833 1.00 1.00 H new ATOM 0 HG22 ILE A 71 -9.276 -3.885 -1.486 1.00 1.00 H new ATOM 0 HG23 ILE A 71 -7.851 -4.935 -1.307 1.00 1.00 H new ATOM 0 HD11 ILE A 71 -6.666 -7.676 -3.589 1.00 1.00 H new ATOM 0 HD12 ILE A 71 -6.618 -6.175 -2.634 1.00 1.00 H new ATOM 0 HD13 ILE A 71 -7.374 -7.636 -1.957 1.00 1.00 H new ATOM 1125 N GLU A 72 -10.918 -4.826 0.250 1.00 1.00 N ATOM 1126 CA GLU A 72 -11.929 -4.009 0.922 1.00 1.00 C ATOM 1127 C GLU A 72 -11.297 -2.805 1.642 1.00 1.00 C ATOM 1128 O GLU A 72 -11.333 -2.603 2.852 1.00 1.00 O ATOM 1129 CB GLU A 72 -12.904 -4.794 1.798 1.00 1.00 C ATOM 1130 CG GLU A 72 -12.271 -5.830 2.725 1.00 1.00 C ATOM 1131 CD GLU A 72 -12.978 -7.129 2.413 1.00 1.00 C ATOM 1132 OE1 GLU A 72 -12.539 -7.785 1.419 1.00 1.00 O ATOM 1133 OE2 GLU A 72 -14.002 -7.425 3.085 1.00 1.00 O ATOM 0 H GLU A 72 -9.977 -4.750 0.636 1.00 1.00 H new ATOM 0 HA GLU A 72 -12.562 -3.614 0.127 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -13.469 -4.087 2.405 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -13.619 -5.301 1.150 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -11.199 -5.913 2.548 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -12.401 -5.553 3.771 1.00 1.00 H new ATOM 1140 N THR A 73 -10.695 -1.914 0.777 1.00 1.00 N ATOM 1141 CA THR A 73 -10.077 -0.676 1.235 1.00 1.00 C ATOM 1142 C THR A 73 -10.443 0.491 0.276 1.00 1.00 C ATOM 1143 O THR A 73 -11.046 0.342 -0.790 1.00 1.00 O ATOM 1144 CB THR A 73 -8.548 -0.822 1.405 1.00 1.00 C ATOM 1145 OG1 THR A 73 -7.959 -1.263 0.181 1.00 1.00 O ATOM 1146 CG2 THR A 73 -8.163 -1.795 2.516 1.00 1.00 C ATOM 0 H THR A 73 -10.641 -2.057 -0.231 1.00 1.00 H new ATOM 0 HA THR A 73 -10.474 -0.444 2.223 1.00 1.00 H new ATOM 0 HB THR A 73 -8.172 0.163 1.682 1.00 1.00 H new ATOM 0 HG1 THR A 73 -6.990 -1.351 0.297 1.00 1.00 H new ATOM 0 HG21 THR A 73 -7.077 -1.855 2.587 1.00 1.00 H new ATOM 0 HG22 THR A 73 -8.570 -1.444 3.464 1.00 1.00 H new ATOM 0 HG23 THR A 73 -8.567 -2.782 2.291 1.00 1.00 H new ATOM 1154 N ILE A 74 -10.090 1.753 0.744 1.00 1.00 N ATOM 1155 CA ILE A 74 -10.173 2.955 -0.099 1.00 1.00 C ATOM 1156 C ILE A 74 -11.669 3.219 -0.425 1.00 1.00 C ATOM 1157 O ILE A 74 -12.118 3.296 -1.567 1.00 1.00 O ATOM 1158 CB ILE A 74 -9.220 2.894 -1.320 1.00 1.00 C ATOM 1159 CG1 ILE A 74 -7.752 2.621 -0.900 1.00 1.00 C ATOM 1160 CG2 ILE A 74 -9.275 4.158 -2.195 1.00 1.00 C ATOM 1161 CD1 ILE A 74 -7.180 3.568 0.149 1.00 1.00 C ATOM 0 H ILE A 74 -9.754 1.931 1.691 1.00 1.00 H new ATOM 0 HA ILE A 74 -9.803 3.827 0.440 1.00 1.00 H new ATOM 0 HB ILE A 74 -9.581 2.057 -1.918 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -7.686 1.602 -0.518 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -7.123 2.670 -1.789 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -8.585 4.051 -3.032 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -10.288 4.294 -2.575 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -8.991 5.026 -1.599 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -6.150 3.288 0.369 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -7.205 4.589 -0.231 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -7.776 3.505 1.060 1.00 1.00 H new ATOM 1173 N GLY A 75 -12.467 3.385 0.689 1.00 1.00 N ATOM 1174 CA GLY A 75 -13.822 3.914 0.581 1.00 1.00 C ATOM 1175 C GLY A 75 -14.775 3.351 1.634 1.00 1.00 C ATOM 1176 O GLY A 75 -15.812 3.929 1.937 1.00 1.00 O ATOM 0 H GLY A 75 -12.176 3.157 1.640 1.00 1.00 H new ATOM 0 HA2 GLY A 75 -13.789 5.000 0.673 1.00 1.00 H new ATOM 0 HA3 GLY A 75 -14.214 3.690 -0.411 1.00 1.00 H new ATOM 1180 N GLY A 76 -14.431 2.102 2.118 1.00 1.00 N ATOM 1181 CA GLY A 76 -15.415 1.335 2.879 1.00 1.00 C ATOM 1182 C GLY A 76 -16.359 0.596 1.924 1.00 1.00 C ATOM 1183 O GLY A 76 -17.568 0.514 2.104 1.00 1.00 O ATOM 0 H GLY A 76 -13.525 1.651 1.990 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -14.908 0.620 3.527 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -15.987 2.001 3.525 1.00 1.00 H new ATOM 1187 N LYS A 77 -15.713 -0.046 0.885 1.00 1.00 N ATOM 1188 CA LYS A 77 -16.446 -0.797 -0.125 1.00 1.00 C ATOM 1189 C LYS A 77 -15.704 -2.123 -0.334 1.00 1.00 C ATOM 1190 O LYS A 77 -14.513 -2.243 -0.051 1.00 1.00 O ATOM 1191 CB LYS A 77 -16.541 0.017 -1.420 1.00 1.00 C ATOM 1192 CG LYS A 77 -15.181 0.235 -2.104 1.00 1.00 C ATOM 1193 CD LYS A 77 -15.245 1.369 -3.124 1.00 1.00 C ATOM 1194 CE LYS A 77 -14.045 1.407 -4.056 1.00 1.00 C ATOM 1195 NZ LYS A 77 -12.779 1.568 -3.332 1.00 1.00 N ATOM 0 H LYS A 77 -14.701 -0.040 0.754 1.00 1.00 H new ATOM 0 HA LYS A 77 -17.469 -0.999 0.193 1.00 1.00 H new ATOM 0 HB2 LYS A 77 -17.210 -0.493 -2.113 1.00 1.00 H new ATOM 0 HB3 LYS A 77 -16.988 0.986 -1.199 1.00 1.00 H new ATOM 0 HG2 LYS A 77 -14.426 0.463 -1.351 1.00 1.00 H new ATOM 0 HG3 LYS A 77 -14.870 -0.685 -2.599 1.00 1.00 H new ATOM 0 HD2 LYS A 77 -16.154 1.264 -3.717 1.00 1.00 H new ATOM 0 HD3 LYS A 77 -15.317 2.320 -2.596 1.00 1.00 H new ATOM 0 HE2 LYS A 77 -14.012 0.487 -4.639 1.00 1.00 H new ATOM 0 HE3 LYS A 77 -14.163 2.228 -4.763 1.00 1.00 H new ATOM 0 HZ1 LYS A 77 -12.033 1.858 -3.997 1.00 1.00 H new ATOM 0 HZ2 LYS A 77 -12.889 2.296 -2.597 1.00 1.00 H new ATOM 0 HZ3 LYS A 77 -12.516 0.665 -2.888 1.00 1.00 H new ATOM 1209 N LYS A 78 -16.468 -3.118 -0.881 1.00 1.00 N ATOM 1210 CA LYS A 78 -15.930 -4.440 -1.204 1.00 1.00 C ATOM 1211 C LYS A 78 -15.517 -4.438 -2.691 1.00 1.00 C ATOM 1212 O LYS A 78 -16.115 -3.765 -3.531 1.00 1.00 O ATOM 1213 CB LYS A 78 -17.041 -5.469 -0.951 1.00 1.00 C ATOM 1214 CG LYS A 78 -16.644 -6.940 -1.073 1.00 1.00 C ATOM 1215 CD LYS A 78 -15.708 -7.399 0.044 1.00 1.00 C ATOM 1216 CE LYS A 78 -15.384 -8.874 -0.102 1.00 1.00 C ATOM 1217 NZ LYS A 78 -14.502 -9.313 0.969 1.00 1.00 N ATOM 0 H LYS A 78 -17.458 -3.010 -1.100 1.00 1.00 H new ATOM 0 HA LYS A 78 -15.061 -4.687 -0.594 1.00 1.00 H new ATOM 0 HB2 LYS A 78 -17.438 -5.304 0.051 1.00 1.00 H new ATOM 0 HB3 LYS A 78 -17.853 -5.275 -1.652 1.00 1.00 H new ATOM 0 HG2 LYS A 78 -17.543 -7.556 -1.062 1.00 1.00 H new ATOM 0 HG3 LYS A 78 -16.159 -7.101 -2.036 1.00 1.00 H new ATOM 0 HD2 LYS A 78 -14.788 -6.815 0.018 1.00 1.00 H new ATOM 0 HD3 LYS A 78 -16.173 -7.218 1.013 1.00 1.00 H new ATOM 0 HE2 LYS A 78 -16.304 -9.458 -0.085 1.00 1.00 H new ATOM 0 HE3 LYS A 78 -14.911 -9.054 -1.067 1.00 1.00 H new ATOM 0 HZ1 LYS A 78 -14.346 -10.338 0.892 1.00 1.00 H new ATOM 0 HZ2 LYS A 78 -13.591 -8.817 0.894 1.00 1.00 H new ATOM 0 HZ3 LYS A 78 -14.938 -9.098 1.888 1.00 1.00 H new ATOM 1231 N PHE A 79 -14.497 -5.299 -3.007 1.00 1.00 N ATOM 1232 CA PHE A 79 -13.989 -5.492 -4.365 1.00 1.00 C ATOM 1233 C PHE A 79 -13.411 -6.927 -4.439 1.00 1.00 C ATOM 1234 O PHE A 79 -12.983 -7.535 -3.458 1.00 1.00 O ATOM 1235 CB PHE A 79 -12.877 -4.475 -4.709 1.00 1.00 C ATOM 1236 CG PHE A 79 -13.086 -3.683 -5.984 1.00 1.00 C ATOM 1237 CD1 PHE A 79 -14.195 -2.842 -6.134 1.00 1.00 C ATOM 1238 CD2 PHE A 79 -12.139 -3.729 -7.016 1.00 1.00 C ATOM 1239 CE1 PHE A 79 -14.369 -2.089 -7.296 1.00 1.00 C ATOM 1240 CE2 PHE A 79 -12.305 -2.956 -8.170 1.00 1.00 C ATOM 1241 CZ PHE A 79 -13.424 -2.146 -8.316 1.00 1.00 C ATOM 0 H PHE A 79 -14.018 -5.869 -2.310 1.00 1.00 H new ATOM 0 HA PHE A 79 -14.798 -5.344 -5.080 1.00 1.00 H new ATOM 0 HB2 PHE A 79 -12.780 -3.775 -3.879 1.00 1.00 H new ATOM 0 HB3 PHE A 79 -11.931 -5.011 -4.786 1.00 1.00 H new ATOM 0 HD1 PHE A 79 -14.925 -2.775 -5.341 1.00 1.00 H new ATOM 0 HD2 PHE A 79 -11.273 -4.367 -6.919 1.00 1.00 H new ATOM 0 HE1 PHE A 79 -15.240 -1.460 -7.404 1.00 1.00 H new ATOM 0 HE2 PHE A 79 -11.560 -2.989 -8.951 1.00 1.00 H new ATOM 0 HZ PHE A 79 -13.560 -1.564 -9.216 1.00 1.00 H new ATOM 1251 N LYS A 80 -13.367 -7.460 -5.708 1.00 1.00 N ATOM 1252 CA LYS A 80 -12.532 -8.618 -6.027 1.00 1.00 C ATOM 1253 C LYS A 80 -11.361 -8.098 -6.884 1.00 1.00 C ATOM 1254 O LYS A 80 -11.457 -7.084 -7.581 1.00 1.00 O ATOM 1255 CB LYS A 80 -13.308 -9.645 -6.869 1.00 1.00 C ATOM 1256 CG LYS A 80 -14.171 -10.615 -6.054 1.00 1.00 C ATOM 1257 CD LYS A 80 -13.329 -11.643 -5.292 1.00 1.00 C ATOM 1258 CE LYS A 80 -14.185 -12.779 -4.742 1.00 1.00 C ATOM 1259 NZ LYS A 80 -13.349 -13.707 -3.986 1.00 1.00 N ATOM 0 H LYS A 80 -13.900 -7.095 -6.497 1.00 1.00 H new ATOM 0 HA LYS A 80 -12.203 -9.098 -5.105 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -13.949 -9.111 -7.571 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -12.597 -10.221 -7.461 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -14.779 -10.051 -5.347 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -14.858 -11.135 -6.721 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -12.566 -12.051 -5.955 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -12.808 -11.150 -4.471 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -14.970 -12.378 -4.101 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -14.679 -13.304 -5.560 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -13.911 -14.538 -3.714 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -12.546 -14.009 -4.574 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -12.993 -13.235 -3.130 1.00 1.00 H new ATOM 1273 N ALA A 81 -10.252 -8.904 -6.907 1.00 1.00 N ATOM 1274 CA ALA A 81 -9.123 -8.631 -7.786 1.00 1.00 C ATOM 1275 C ALA A 81 -8.461 -9.954 -8.191 1.00 1.00 C ATOM 1276 O ALA A 81 -8.267 -10.856 -7.379 1.00 1.00 O ATOM 1277 CB ALA A 81 -8.095 -7.731 -7.115 1.00 1.00 C ATOM 0 H ALA A 81 -10.140 -9.733 -6.324 1.00 1.00 H new ATOM 0 HA ALA A 81 -9.498 -8.112 -8.668 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -7.268 -7.549 -7.801 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -8.561 -6.782 -6.849 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -7.720 -8.216 -6.214 1.00 1.00 H new ATOM 1283 N THR A 82 -8.103 -10.055 -9.518 1.00 1.00 N ATOM 1284 CA THR A 82 -7.224 -11.137 -9.987 1.00 1.00 C ATOM 1285 C THR A 82 -5.781 -10.638 -9.875 1.00 1.00 C ATOM 1286 O THR A 82 -5.482 -9.455 -10.071 1.00 1.00 O ATOM 1287 CB THR A 82 -7.498 -11.488 -11.465 1.00 1.00 C ATOM 1288 OG1 THR A 82 -8.860 -11.211 -11.828 1.00 1.00 O ATOM 1289 CG2 THR A 82 -7.224 -12.958 -11.763 1.00 1.00 C ATOM 0 H THR A 82 -8.410 -9.410 -10.246 1.00 1.00 H new ATOM 0 HA THR A 82 -7.403 -12.027 -9.384 1.00 1.00 H new ATOM 0 HB THR A 82 -6.821 -10.865 -12.049 1.00 1.00 H new ATOM 0 HG1 THR A 82 -9.001 -11.442 -12.770 1.00 1.00 H new ATOM 0 HG21 THR A 82 -7.430 -13.161 -12.814 1.00 1.00 H new ATOM 0 HG22 THR A 82 -6.180 -13.184 -11.548 1.00 1.00 H new ATOM 0 HG23 THR A 82 -7.866 -13.581 -11.141 1.00 1.00 H new ATOM 1297 N VAL A 83 -4.839 -11.604 -9.616 1.00 1.00 N ATOM 1298 CA VAL A 83 -3.443 -11.222 -9.434 1.00 1.00 C ATOM 1299 C VAL A 83 -2.519 -12.408 -9.765 1.00 1.00 C ATOM 1300 O VAL A 83 -2.733 -13.563 -9.391 1.00 1.00 O ATOM 1301 CB VAL A 83 -3.215 -10.631 -8.026 1.00 1.00 C ATOM 1302 CG1 VAL A 83 -3.491 -11.630 -6.904 1.00 1.00 C ATOM 1303 CG2 VAL A 83 -1.819 -10.037 -7.863 1.00 1.00 C ATOM 0 H VAL A 83 -5.032 -12.602 -9.536 1.00 1.00 H new ATOM 0 HA VAL A 83 -3.187 -10.427 -10.134 1.00 1.00 H new ATOM 0 HB VAL A 83 -3.944 -9.826 -7.938 1.00 1.00 H new ATOM 0 HG11 VAL A 83 -3.312 -11.153 -5.940 1.00 1.00 H new ATOM 0 HG12 VAL A 83 -4.528 -11.961 -6.958 1.00 1.00 H new ATOM 0 HG13 VAL A 83 -2.830 -12.490 -7.012 1.00 1.00 H new ATOM 0 HG21 VAL A 83 -1.710 -9.635 -6.856 1.00 1.00 H new ATOM 0 HG22 VAL A 83 -1.072 -10.814 -8.027 1.00 1.00 H new ATOM 0 HG23 VAL A 83 -1.677 -9.238 -8.590 1.00 1.00 H new ATOM 1313 N GLN A 84 -1.400 -12.065 -10.498 1.00 1.00 N ATOM 1314 CA GLN A 84 -0.462 -13.067 -10.960 1.00 1.00 C ATOM 1315 C GLN A 84 0.918 -12.448 -11.253 1.00 1.00 C ATOM 1316 O GLN A 84 1.089 -11.246 -11.451 1.00 1.00 O ATOM 1317 CB GLN A 84 -0.991 -13.952 -12.102 1.00 1.00 C ATOM 1318 CG GLN A 84 -1.121 -13.285 -13.470 1.00 1.00 C ATOM 1319 CD GLN A 84 -2.467 -12.630 -13.708 1.00 1.00 C ATOM 1320 OE1 GLN A 84 -3.154 -12.084 -12.856 1.00 1.00 O ATOM 1321 NE2 GLN A 84 -2.861 -12.625 -15.018 1.00 1.00 N ATOM 0 H GLN A 84 -1.160 -11.109 -10.760 1.00 1.00 H new ATOM 0 HA GLN A 84 -0.333 -13.766 -10.133 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -0.330 -14.813 -12.202 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -1.970 -14.334 -11.813 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -0.339 -12.533 -13.573 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -0.949 -14.032 -14.245 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -2.285 -13.081 -15.725 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -3.731 -12.165 -15.287 1.00 1.00 H new ATOM 1330 N MET A 85 1.944 -13.368 -11.245 1.00 1.00 N ATOM 1331 CA MET A 85 3.314 -13.007 -11.610 1.00 1.00 C ATOM 1332 C MET A 85 3.519 -13.360 -13.093 1.00 1.00 C ATOM 1333 O MET A 85 2.851 -14.226 -13.658 1.00 1.00 O ATOM 1334 CB MET A 85 4.315 -13.767 -10.725 1.00 1.00 C ATOM 1335 CG MET A 85 5.607 -12.984 -10.509 1.00 1.00 C ATOM 1336 SD MET A 85 6.599 -13.743 -9.179 1.00 1.00 S ATOM 1337 CE MET A 85 7.961 -12.555 -9.171 1.00 1.00 C ATOM 0 H MET A 85 1.824 -14.348 -10.989 1.00 1.00 H new ATOM 0 HA MET A 85 3.481 -11.941 -11.457 1.00 1.00 H new ATOM 0 HB2 MET A 85 3.855 -13.979 -9.760 1.00 1.00 H new ATOM 0 HB3 MET A 85 4.547 -14.727 -11.185 1.00 1.00 H new ATOM 0 HG2 MET A 85 6.184 -12.961 -11.433 1.00 1.00 H new ATOM 0 HG3 MET A 85 5.374 -11.950 -10.253 1.00 1.00 H new ATOM 0 HE1 MET A 85 8.690 -12.843 -8.414 1.00 1.00 H new ATOM 0 HE2 MET A 85 8.440 -12.544 -10.150 1.00 1.00 H new ATOM 0 HE3 MET A 85 7.575 -11.561 -8.944 1.00 1.00 H new ATOM 1347 N GLU A 86 4.537 -12.664 -13.685 1.00 1.00 N ATOM 1348 CA GLU A 86 5.042 -12.918 -15.027 1.00 1.00 C ATOM 1349 C GLU A 86 6.561 -12.592 -15.005 1.00 1.00 C ATOM 1350 O GLU A 86 7.249 -12.805 -13.998 1.00 1.00 O ATOM 1351 CB GLU A 86 4.122 -12.356 -16.123 1.00 1.00 C ATOM 1352 CG GLU A 86 3.670 -10.900 -15.976 1.00 1.00 C ATOM 1353 CD GLU A 86 4.526 -9.859 -16.662 1.00 1.00 C ATOM 1354 OE1 GLU A 86 5.610 -10.250 -17.168 1.00 1.00 O ATOM 1355 OE2 GLU A 86 4.096 -8.665 -16.631 1.00 1.00 O ATOM 0 H GLU A 86 5.023 -11.901 -13.214 1.00 1.00 H new ATOM 0 HA GLU A 86 4.997 -13.962 -15.337 1.00 1.00 H new ATOM 0 HB2 GLU A 86 4.635 -12.456 -17.079 1.00 1.00 H new ATOM 0 HB3 GLU A 86 3.232 -12.983 -16.172 1.00 1.00 H new ATOM 0 HG2 GLU A 86 2.654 -10.817 -16.363 1.00 1.00 H new ATOM 0 HG3 GLU A 86 3.627 -10.661 -14.913 1.00 1.00 H new ATOM 1362 N GLY A 87 7.139 -12.142 -16.155 1.00 1.00 N ATOM 1363 CA GLY A 87 8.574 -12.169 -16.380 1.00 1.00 C ATOM 1364 C GLY A 87 9.423 -11.155 -15.600 1.00 1.00 C ATOM 1365 O GLY A 87 10.025 -10.238 -16.150 1.00 1.00 O ATOM 0 H GLY A 87 6.607 -11.756 -16.935 1.00 1.00 H new ATOM 0 HA2 GLY A 87 8.935 -13.169 -16.140 1.00 1.00 H new ATOM 0 HA3 GLY A 87 8.753 -12.013 -17.444 1.00 1.00 H new ATOM 1369 N GLY A 88 9.511 -11.406 -14.244 1.00 1.00 N ATOM 1370 CA GLY A 88 10.193 -10.491 -13.335 1.00 1.00 C ATOM 1371 C GLY A 88 9.280 -9.366 -12.825 1.00 1.00 C ATOM 1372 O GLY A 88 9.716 -8.321 -12.346 1.00 1.00 O ATOM 0 H GLY A 88 9.115 -12.230 -13.792 1.00 1.00 H new ATOM 0 HA2 GLY A 88 10.580 -11.052 -12.484 1.00 1.00 H new ATOM 0 HA3 GLY A 88 11.051 -10.053 -13.844 1.00 1.00 H new ATOM 1376 N LYS A 89 7.937 -9.671 -12.870 1.00 1.00 N ATOM 1377 CA LYS A 89 6.912 -8.638 -12.855 1.00 1.00 C ATOM 1378 C LYS A 89 5.648 -9.257 -12.224 1.00 1.00 C ATOM 1379 O LYS A 89 5.348 -10.442 -12.387 1.00 1.00 O ATOM 1380 CB LYS A 89 6.581 -8.191 -14.289 1.00 1.00 C ATOM 1381 CG LYS A 89 7.786 -7.643 -15.062 1.00 1.00 C ATOM 1382 CD LYS A 89 7.506 -7.249 -16.512 1.00 1.00 C ATOM 1383 CE LYS A 89 6.451 -6.166 -16.672 1.00 1.00 C ATOM 1384 NZ LYS A 89 5.333 -6.693 -17.472 1.00 1.00 N ATOM 0 H LYS A 89 7.573 -10.623 -12.916 1.00 1.00 H new ATOM 0 HA LYS A 89 7.261 -7.772 -12.292 1.00 1.00 H new ATOM 0 HB2 LYS A 89 6.165 -9.037 -14.836 1.00 1.00 H new ATOM 0 HB3 LYS A 89 5.807 -7.424 -14.251 1.00 1.00 H new ATOM 0 HG2 LYS A 89 8.170 -6.771 -14.533 1.00 1.00 H new ATOM 0 HG3 LYS A 89 8.575 -8.395 -15.053 1.00 1.00 H new ATOM 0 HD2 LYS A 89 8.434 -6.906 -16.969 1.00 1.00 H new ATOM 0 HD3 LYS A 89 7.188 -8.134 -17.062 1.00 1.00 H new ATOM 0 HE2 LYS A 89 6.094 -5.843 -15.694 1.00 1.00 H new ATOM 0 HE3 LYS A 89 6.882 -5.291 -17.159 1.00 1.00 H new ATOM 0 HZ1 LYS A 89 4.586 -5.973 -17.541 1.00 1.00 H new ATOM 0 HZ2 LYS A 89 5.672 -6.934 -18.425 1.00 1.00 H new ATOM 0 HZ3 LYS A 89 4.951 -7.545 -17.015 1.00 1.00 H new ATOM 1398 N VAL A 90 4.867 -8.396 -11.500 1.00 1.00 N ATOM 1399 CA VAL A 90 3.557 -8.754 -10.955 1.00 1.00 C ATOM 1400 C VAL A 90 2.520 -7.904 -11.715 1.00 1.00 C ATOM 1401 O VAL A 90 2.695 -6.705 -11.942 1.00 1.00 O ATOM 1402 CB VAL A 90 3.485 -8.460 -9.438 1.00 1.00 C ATOM 1403 CG1 VAL A 90 2.093 -8.713 -8.852 1.00 1.00 C ATOM 1404 CG2 VAL A 90 4.507 -9.292 -8.658 1.00 1.00 C ATOM 0 H VAL A 90 5.147 -7.438 -11.289 1.00 1.00 H new ATOM 0 HA VAL A 90 3.367 -9.820 -11.079 1.00 1.00 H new ATOM 0 HB VAL A 90 3.715 -7.400 -9.333 1.00 1.00 H new ATOM 0 HG11 VAL A 90 2.101 -8.490 -7.785 1.00 1.00 H new ATOM 0 HG12 VAL A 90 1.366 -8.072 -9.351 1.00 1.00 H new ATOM 0 HG13 VAL A 90 1.819 -9.757 -9.003 1.00 1.00 H new ATOM 0 HG21 VAL A 90 4.429 -9.061 -7.596 1.00 1.00 H new ATOM 0 HG22 VAL A 90 4.308 -10.352 -8.814 1.00 1.00 H new ATOM 0 HG23 VAL A 90 5.512 -9.056 -9.008 1.00 1.00 H new ATOM 1414 N VAL A 91 1.360 -8.560 -12.069 1.00 1.00 N ATOM 1415 CA VAL A 91 0.193 -7.833 -12.544 1.00 1.00 C ATOM 1416 C VAL A 91 -0.957 -8.078 -11.546 1.00 1.00 C ATOM 1417 O VAL A 91 -1.214 -9.197 -11.103 1.00 1.00 O ATOM 1418 CB VAL A 91 -0.215 -8.159 -14.002 1.00 1.00 C ATOM 1419 CG1 VAL A 91 0.993 -8.360 -14.920 1.00 1.00 C ATOM 1420 CG2 VAL A 91 -1.132 -9.372 -14.145 1.00 1.00 C ATOM 0 H VAL A 91 1.239 -9.572 -12.025 1.00 1.00 H new ATOM 0 HA VAL A 91 0.445 -6.773 -12.583 1.00 1.00 H new ATOM 0 HB VAL A 91 -0.774 -7.275 -14.309 1.00 1.00 H new ATOM 0 HG11 VAL A 91 0.649 -8.586 -15.929 1.00 1.00 H new ATOM 0 HG12 VAL A 91 1.593 -7.450 -14.936 1.00 1.00 H new ATOM 0 HG13 VAL A 91 1.598 -9.187 -14.549 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -1.368 -9.528 -15.198 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -0.630 -10.256 -13.751 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -2.053 -9.199 -13.589 1.00 1.00 H new ATOM 1430 N VAL A 92 -1.692 -6.957 -11.226 1.00 1.00 N ATOM 1431 CA VAL A 92 -2.992 -7.053 -10.561 1.00 1.00 C ATOM 1432 C VAL A 92 -3.998 -6.570 -11.628 1.00 1.00 C ATOM 1433 O VAL A 92 -3.741 -5.668 -12.432 1.00 1.00 O ATOM 1434 CB VAL A 92 -3.114 -6.134 -9.323 1.00 1.00 C ATOM 1435 CG1 VAL A 92 -4.317 -6.508 -8.450 1.00 1.00 C ATOM 1436 CG2 VAL A 92 -1.856 -6.122 -8.453 1.00 1.00 C ATOM 0 H VAL A 92 -1.390 -6.003 -11.425 1.00 1.00 H new ATOM 0 HA VAL A 92 -3.157 -8.068 -10.201 1.00 1.00 H new ATOM 0 HB VAL A 92 -3.254 -5.133 -9.730 1.00 1.00 H new ATOM 0 HG11 VAL A 92 -4.366 -5.838 -7.592 1.00 1.00 H new ATOM 0 HG12 VAL A 92 -5.233 -6.417 -9.034 1.00 1.00 H new ATOM 0 HG13 VAL A 92 -4.209 -7.536 -8.103 1.00 1.00 H new ATOM 0 HG21 VAL A 92 -2.008 -5.458 -7.602 1.00 1.00 H new ATOM 0 HG22 VAL A 92 -1.652 -7.131 -8.094 1.00 1.00 H new ATOM 0 HG23 VAL A 92 -1.010 -5.769 -9.042 1.00 1.00 H new ATOM 1446 N ASN A 93 -5.232 -7.147 -11.579 1.00 1.00 N ATOM 1447 CA ASN A 93 -6.301 -6.761 -12.495 1.00 1.00 C ATOM 1448 C ASN A 93 -7.594 -6.889 -11.681 1.00 1.00 C ATOM 1449 O ASN A 93 -7.743 -7.736 -10.799 1.00 1.00 O ATOM 1450 CB ASN A 93 -6.323 -7.699 -13.692 1.00 1.00 C ATOM 1451 CG ASN A 93 -6.941 -7.068 -14.909 1.00 1.00 C ATOM 1452 OD1 ASN A 93 -7.055 -5.858 -15.080 1.00 1.00 O ATOM 1453 ND2 ASN A 93 -7.267 -7.949 -15.896 1.00 1.00 N ATOM 0 H ASN A 93 -5.492 -7.875 -10.913 1.00 1.00 H new ATOM 0 HA ASN A 93 -6.170 -5.751 -12.884 1.00 1.00 H new ATOM 0 HB2 ASN A 93 -5.304 -8.009 -13.925 1.00 1.00 H new ATOM 0 HB3 ASN A 93 -6.878 -8.600 -13.433 1.00 1.00 H new ATOM 0 HD21 ASN A 93 -7.611 -7.606 -16.793 1.00 1.00 H new ATOM 0 HD22 ASN A 93 -7.167 -8.952 -15.738 1.00 1.00 H new ATOM 1460 N SER A 94 -8.598 -6.019 -11.997 1.00 1.00 N ATOM 1461 CA SER A 94 -9.834 -5.972 -11.200 1.00 1.00 C ATOM 1462 C SER A 94 -10.879 -5.187 -12.009 1.00 1.00 C ATOM 1463 O SER A 94 -10.546 -4.619 -13.059 1.00 1.00 O ATOM 1464 CB SER A 94 -9.572 -5.327 -9.833 1.00 1.00 C ATOM 1465 OG SER A 94 -9.277 -3.940 -9.956 1.00 1.00 O ATOM 0 H SER A 94 -8.567 -5.363 -12.778 1.00 1.00 H new ATOM 0 HA SER A 94 -10.204 -6.978 -11.002 1.00 1.00 H new ATOM 0 HB2 SER A 94 -10.446 -5.459 -9.195 1.00 1.00 H new ATOM 0 HB3 SER A 94 -8.740 -5.834 -9.344 1.00 1.00 H new ATOM 0 HG SER A 94 -8.716 -3.794 -10.746 1.00 1.00 H new ATOM 1471 N PRO A 95 -12.168 -5.074 -11.532 1.00 1.00 N ATOM 1472 CA PRO A 95 -13.224 -4.413 -12.327 1.00 1.00 C ATOM 1473 C PRO A 95 -13.150 -2.867 -12.491 1.00 1.00 C ATOM 1474 O PRO A 95 -14.159 -2.171 -12.567 1.00 1.00 O ATOM 1475 CB PRO A 95 -14.529 -4.817 -11.627 1.00 1.00 C ATOM 1476 CG PRO A 95 -14.186 -6.142 -10.968 1.00 1.00 C ATOM 1477 CD PRO A 95 -12.760 -5.916 -10.497 1.00 1.00 C ATOM 0 HA PRO A 95 -13.122 -4.742 -13.361 1.00 1.00 H new ATOM 0 HB2 PRO A 95 -14.837 -4.072 -10.893 1.00 1.00 H new ATOM 0 HB3 PRO A 95 -15.349 -4.923 -12.337 1.00 1.00 H new ATOM 0 HG2 PRO A 95 -14.856 -6.368 -10.139 1.00 1.00 H new ATOM 0 HG3 PRO A 95 -14.255 -6.974 -11.669 1.00 1.00 H new ATOM 0 HD2 PRO A 95 -12.735 -5.426 -9.523 1.00 1.00 H new ATOM 0 HD3 PRO A 95 -12.221 -6.858 -10.394 1.00 1.00 H new ATOM 1485 N ASN A 96 -11.885 -2.361 -12.706 1.00 1.00 N ATOM 1486 CA ASN A 96 -11.588 -1.062 -13.328 1.00 1.00 C ATOM 1487 C ASN A 96 -10.149 -0.610 -12.995 1.00 1.00 C ATOM 1488 O ASN A 96 -9.571 0.278 -13.618 1.00 1.00 O ATOM 1489 CB ASN A 96 -12.552 0.101 -13.114 1.00 1.00 C ATOM 1490 CG ASN A 96 -12.797 0.492 -11.674 1.00 1.00 C ATOM 1491 OD1 ASN A 96 -12.118 0.155 -10.709 1.00 1.00 O ATOM 1492 ND2 ASN A 96 -13.847 1.361 -11.540 1.00 1.00 N ATOM 0 H ASN A 96 -11.044 -2.872 -12.439 1.00 1.00 H new ATOM 0 HA ASN A 96 -11.721 -1.295 -14.385 1.00 1.00 H new ATOM 0 HB2 ASN A 96 -12.168 0.971 -13.647 1.00 1.00 H new ATOM 0 HB3 ASN A 96 -13.508 -0.155 -13.570 1.00 1.00 H new ATOM 0 HD21 ASN A 96 -14.079 1.743 -10.623 1.00 1.00 H new ATOM 0 HD22 ASN A 96 -14.397 1.626 -12.357 1.00 1.00 H new ATOM 1499 N TYR A 97 -9.597 -1.216 -11.892 1.00 1.00 N ATOM 1500 CA TYR A 97 -8.293 -0.845 -11.348 1.00 1.00 C ATOM 1501 C TYR A 97 -7.305 -1.937 -11.796 1.00 1.00 C ATOM 1502 O TYR A 97 -7.204 -3.027 -11.221 1.00 1.00 O ATOM 1503 CB TYR A 97 -8.393 -0.766 -9.819 1.00 1.00 C ATOM 1504 CG TYR A 97 -7.223 -0.097 -9.146 1.00 1.00 C ATOM 1505 CD1 TYR A 97 -6.025 -0.785 -8.899 1.00 1.00 C ATOM 1506 CD2 TYR A 97 -7.355 1.223 -8.702 1.00 1.00 C ATOM 1507 CE1 TYR A 97 -4.980 -0.159 -8.219 1.00 1.00 C ATOM 1508 CE2 TYR A 97 -6.324 1.829 -7.992 1.00 1.00 C ATOM 1509 CZ TYR A 97 -5.137 1.147 -7.775 1.00 1.00 C ATOM 1510 OH TYR A 97 -4.150 1.790 -7.094 1.00 1.00 O ATOM 0 H TYR A 97 -10.058 -1.966 -11.377 1.00 1.00 H new ATOM 0 HA TYR A 97 -7.956 0.129 -11.704 1.00 1.00 H new ATOM 0 HB2 TYR A 97 -9.303 -0.227 -9.555 1.00 1.00 H new ATOM 0 HB3 TYR A 97 -8.494 -1.776 -9.422 1.00 1.00 H new ATOM 0 HD1 TYR A 97 -5.911 -1.804 -9.237 1.00 1.00 H new ATOM 0 HD2 TYR A 97 -8.260 1.773 -8.911 1.00 1.00 H new ATOM 0 HE1 TYR A 97 -4.055 -0.687 -8.039 1.00 1.00 H new ATOM 0 HE2 TYR A 97 -6.448 2.831 -7.610 1.00 1.00 H new ATOM 0 HH TYR A 97 -4.446 2.697 -6.868 1.00 1.00 H new ATOM 1520 N HIS A 98 -6.602 -1.674 -12.953 1.00 1.00 N ATOM 1521 CA HIS A 98 -5.461 -2.522 -13.295 1.00 1.00 C ATOM 1522 C HIS A 98 -4.247 -1.932 -12.553 1.00 1.00 C ATOM 1523 O HIS A 98 -4.088 -0.720 -12.390 1.00 1.00 O ATOM 1524 CB HIS A 98 -5.211 -2.561 -14.806 1.00 1.00 C ATOM 1525 CG HIS A 98 -4.205 -3.581 -15.234 1.00 1.00 C ATOM 1526 ND1 HIS A 98 -4.602 -4.804 -15.809 1.00 1.00 N ATOM 1527 CD2 HIS A 98 -2.786 -3.545 -15.168 1.00 1.00 C ATOM 1528 CE1 HIS A 98 -3.427 -5.503 -16.068 1.00 1.00 C ATOM 1529 NE2 HIS A 98 -2.317 -4.733 -15.689 1.00 1.00 N ATOM 0 H HIS A 98 -6.808 -0.923 -13.611 1.00 1.00 H new ATOM 0 HA HIS A 98 -5.649 -3.554 -12.997 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -6.154 -2.762 -15.314 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -4.876 -1.577 -15.133 1.00 1.00 H new ATOM 0 HD1 HIS A 98 -5.555 -5.114 -15.997 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -2.185 -2.736 -14.781 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -3.377 -6.493 -16.498 1.00 1.00 H new ATOM 1538 N HIS A 99 -3.319 -2.855 -12.138 1.00 1.00 N ATOM 1539 CA HIS A 99 -2.038 -2.462 -11.556 1.00 1.00 C ATOM 1540 C HIS A 99 -0.979 -3.438 -12.073 1.00 1.00 C ATOM 1541 O HIS A 99 -1.239 -4.560 -12.508 1.00 1.00 O ATOM 1542 CB HIS A 99 -2.081 -2.442 -10.031 1.00 1.00 C ATOM 1543 CG HIS A 99 -0.979 -1.680 -9.401 1.00 1.00 C ATOM 1544 ND1 HIS A 99 -1.015 -0.282 -9.264 1.00 1.00 N ATOM 1545 CD2 HIS A 99 0.189 -2.186 -8.781 1.00 1.00 C ATOM 1546 CE1 HIS A 99 0.120 0.057 -8.542 1.00 1.00 C ATOM 1547 NE2 HIS A 99 0.842 -1.101 -8.251 1.00 1.00 N ATOM 0 H HIS A 99 -3.455 -3.864 -12.205 1.00 1.00 H new ATOM 0 HA HIS A 99 -1.795 -1.443 -11.856 1.00 1.00 H new ATOM 0 HB2 HIS A 99 -3.032 -2.015 -9.711 1.00 1.00 H new ATOM 0 HB3 HIS A 99 -2.053 -3.468 -9.665 1.00 1.00 H new ATOM 0 HD1 HIS A 99 -1.729 0.353 -9.622 1.00 1.00 H new ATOM 0 HD2 HIS A 99 0.503 -3.218 -8.734 1.00 1.00 H new ATOM 0 HE1 HIS A 99 0.400 1.059 -8.251 1.00 1.00 H new ATOM 0 HE2 HIS A 99 1.717 -1.136 -7.727 1.00 1.00 H new ATOM 1556 N THR A 100 0.293 -2.958 -11.993 1.00 1.00 N ATOM 1557 CA THR A 100 1.415 -3.683 -12.578 1.00 1.00 C ATOM 1558 C THR A 100 2.623 -3.152 -11.807 1.00 1.00 C ATOM 1559 O THR A 100 2.698 -1.967 -11.474 1.00 1.00 O ATOM 1560 CB THR A 100 1.529 -3.469 -14.107 1.00 1.00 C ATOM 1561 OG1 THR A 100 0.409 -2.719 -14.631 1.00 1.00 O ATOM 1562 CG2 THR A 100 1.494 -4.797 -14.844 1.00 1.00 C ATOM 0 H THR A 100 0.547 -2.084 -11.533 1.00 1.00 H new ATOM 0 HA THR A 100 1.311 -4.764 -12.488 1.00 1.00 H new ATOM 0 HB THR A 100 2.468 -2.937 -14.258 1.00 1.00 H new ATOM 0 HG1 THR A 100 0.411 -1.817 -14.247 1.00 1.00 H new ATOM 0 HG21 THR A 100 1.576 -4.620 -15.916 1.00 1.00 H new ATOM 0 HG22 THR A 100 2.327 -5.418 -14.514 1.00 1.00 H new ATOM 0 HG23 THR A 100 0.554 -5.307 -14.631 1.00 1.00 H new ATOM 1570 N ALA A 101 3.546 -4.097 -11.454 1.00 1.00 N ATOM 1571 CA ALA A 101 4.716 -3.780 -10.657 1.00 1.00 C ATOM 1572 C ALA A 101 5.869 -4.665 -11.130 1.00 1.00 C ATOM 1573 O ALA A 101 5.704 -5.845 -11.443 1.00 1.00 O ATOM 1574 CB ALA A 101 4.458 -3.993 -9.173 1.00 1.00 C ATOM 0 H ALA A 101 3.479 -5.079 -11.722 1.00 1.00 H new ATOM 0 HA ALA A 101 4.965 -2.727 -10.788 1.00 1.00 H new ATOM 0 HB1 ALA A 101 5.357 -3.745 -8.608 1.00 1.00 H new ATOM 0 HB2 ALA A 101 3.638 -3.351 -8.850 1.00 1.00 H new ATOM 0 HB3 ALA A 101 4.194 -5.035 -8.996 1.00 1.00 H new ATOM 1580 N GLU A 102 7.101 -4.057 -11.142 1.00 1.00 N ATOM 1581 CA GLU A 102 8.175 -4.632 -11.939 1.00 1.00 C ATOM 1582 C GLU A 102 9.538 -4.126 -11.451 1.00 1.00 C ATOM 1583 O GLU A 102 9.726 -2.970 -11.071 1.00 1.00 O ATOM 1584 CB GLU A 102 7.968 -4.396 -13.435 1.00 1.00 C ATOM 1585 CG GLU A 102 7.689 -2.950 -13.839 1.00 1.00 C ATOM 1586 CD GLU A 102 7.149 -2.985 -15.264 1.00 1.00 C ATOM 1587 OE1 GLU A 102 5.969 -3.431 -15.385 1.00 1.00 O ATOM 1588 OE2 GLU A 102 7.957 -2.614 -16.155 1.00 1.00 O ATOM 0 H GLU A 102 7.342 -3.211 -10.627 1.00 1.00 H new ATOM 0 HA GLU A 102 8.156 -5.713 -11.800 1.00 1.00 H new ATOM 0 HB2 GLU A 102 8.856 -4.738 -13.966 1.00 1.00 H new ATOM 0 HB3 GLU A 102 7.137 -5.016 -13.772 1.00 1.00 H new ATOM 0 HG2 GLU A 102 6.966 -2.493 -13.163 1.00 1.00 H new ATOM 0 HG3 GLU A 102 8.598 -2.352 -13.785 1.00 1.00 H new ATOM 1595 N ILE A 103 10.518 -5.099 -11.422 1.00 1.00 N ATOM 1596 CA ILE A 103 11.851 -4.821 -10.913 1.00 1.00 C ATOM 1597 C ILE A 103 12.785 -4.571 -12.113 1.00 1.00 C ATOM 1598 O ILE A 103 12.965 -5.394 -13.008 1.00 1.00 O ATOM 1599 CB ILE A 103 12.387 -5.998 -10.057 1.00 1.00 C ATOM 1600 CG1 ILE A 103 11.557 -6.211 -8.774 1.00 1.00 C ATOM 1601 CG2 ILE A 103 13.875 -5.843 -9.713 1.00 1.00 C ATOM 1602 CD1 ILE A 103 11.731 -5.140 -7.707 1.00 1.00 C ATOM 0 H ILE A 103 10.381 -6.056 -11.747 1.00 1.00 H new ATOM 0 HA ILE A 103 11.812 -3.942 -10.269 1.00 1.00 H new ATOM 0 HB ILE A 103 12.281 -6.888 -10.678 1.00 1.00 H new ATOM 0 HG12 ILE A 103 10.503 -6.263 -9.046 1.00 1.00 H new ATOM 0 HG13 ILE A 103 11.823 -7.177 -8.344 1.00 1.00 H new ATOM 0 HG21 ILE A 103 14.200 -6.693 -9.113 1.00 1.00 H new ATOM 0 HG22 ILE A 103 14.459 -5.803 -10.633 1.00 1.00 H new ATOM 0 HG23 ILE A 103 14.024 -4.922 -9.149 1.00 1.00 H new ATOM 0 HD11 ILE A 103 11.107 -5.380 -6.846 1.00 1.00 H new ATOM 0 HD12 ILE A 103 12.776 -5.100 -7.398 1.00 1.00 H new ATOM 0 HD13 ILE A 103 11.435 -4.172 -8.111 1.00 1.00 H new ATOM 1614 N VAL A 104 13.450 -3.370 -12.061 1.00 1.00 N ATOM 1615 CA VAL A 104 14.536 -3.016 -12.972 1.00 1.00 C ATOM 1616 C VAL A 104 15.579 -2.318 -12.084 1.00 1.00 C ATOM 1617 O VAL A 104 15.249 -1.551 -11.182 1.00 1.00 O ATOM 1618 CB VAL A 104 14.122 -2.141 -14.166 1.00 1.00 C ATOM 1619 CG1 VAL A 104 13.401 -2.963 -15.237 1.00 1.00 C ATOM 1620 CG2 VAL A 104 13.251 -0.957 -13.757 1.00 1.00 C ATOM 0 H VAL A 104 13.232 -2.641 -11.382 1.00 1.00 H new ATOM 0 HA VAL A 104 14.920 -3.912 -13.459 1.00 1.00 H new ATOM 0 HB VAL A 104 15.049 -1.745 -14.580 1.00 1.00 H new ATOM 0 HG11 VAL A 104 13.122 -2.314 -16.067 1.00 1.00 H new ATOM 0 HG12 VAL A 104 14.063 -3.750 -15.598 1.00 1.00 H new ATOM 0 HG13 VAL A 104 12.504 -3.411 -14.809 1.00 1.00 H new ATOM 0 HG21 VAL A 104 12.990 -0.375 -14.641 1.00 1.00 H new ATOM 0 HG22 VAL A 104 12.341 -1.322 -13.281 1.00 1.00 H new ATOM 0 HG23 VAL A 104 13.799 -0.327 -13.057 1.00 1.00 H new ATOM 1630 N ASP A 105 16.895 -2.686 -12.225 1.00 1.00 N ATOM 1631 CA ASP A 105 17.989 -1.955 -11.545 1.00 1.00 C ATOM 1632 C ASP A 105 17.919 -1.890 -9.977 1.00 1.00 C ATOM 1633 O ASP A 105 18.598 -1.137 -9.278 1.00 1.00 O ATOM 1634 CB ASP A 105 18.329 -0.626 -12.217 1.00 1.00 C ATOM 1635 CG ASP A 105 17.395 0.524 -11.912 1.00 1.00 C ATOM 1636 OD1 ASP A 105 17.502 1.075 -10.781 1.00 1.00 O ATOM 1637 OD2 ASP A 105 16.600 0.887 -12.830 1.00 1.00 O ATOM 0 H ASP A 105 17.207 -3.472 -12.796 1.00 1.00 H new ATOM 0 HA ASP A 105 18.854 -2.600 -11.698 1.00 1.00 H new ATOM 0 HB2 ASP A 105 19.338 -0.338 -11.921 1.00 1.00 H new ATOM 0 HB3 ASP A 105 18.345 -0.780 -13.296 1.00 1.00 H new ATOM 1642 N GLY A 106 17.075 -2.820 -9.394 1.00 1.00 N ATOM 1643 CA GLY A 106 16.746 -2.766 -7.975 1.00 1.00 C ATOM 1644 C GLY A 106 15.720 -1.673 -7.593 1.00 1.00 C ATOM 1645 O GLY A 106 15.327 -1.503 -6.439 1.00 1.00 O ATOM 0 H GLY A 106 16.635 -3.588 -9.901 1.00 1.00 H new ATOM 0 HA2 GLY A 106 16.354 -3.736 -7.669 1.00 1.00 H new ATOM 0 HA3 GLY A 106 17.663 -2.599 -7.409 1.00 1.00 H new ATOM 1649 N LYS A 107 15.323 -0.884 -8.651 1.00 1.00 N ATOM 1650 CA LYS A 107 14.081 -0.108 -8.653 1.00 1.00 C ATOM 1651 C LYS A 107 12.926 -1.123 -8.696 1.00 1.00 C ATOM 1652 O LYS A 107 13.047 -2.245 -9.187 1.00 1.00 O ATOM 1653 CB LYS A 107 14.029 0.752 -9.926 1.00 1.00 C ATOM 1654 CG LYS A 107 13.647 2.216 -9.740 1.00 1.00 C ATOM 1655 CD LYS A 107 14.418 3.102 -10.726 1.00 1.00 C ATOM 1656 CE LYS A 107 14.034 2.901 -12.185 1.00 1.00 C ATOM 1657 NZ LYS A 107 15.242 2.967 -13.021 1.00 1.00 N ATOM 0 H LYS A 107 15.868 -0.786 -9.508 1.00 1.00 H new ATOM 0 HA LYS A 107 14.016 0.538 -7.777 1.00 1.00 H new ATOM 0 HB2 LYS A 107 15.007 0.712 -10.405 1.00 1.00 H new ATOM 0 HB3 LYS A 107 13.318 0.298 -10.616 1.00 1.00 H new ATOM 0 HG2 LYS A 107 12.575 2.340 -9.892 1.00 1.00 H new ATOM 0 HG3 LYS A 107 13.862 2.527 -8.718 1.00 1.00 H new ATOM 0 HD2 LYS A 107 14.255 4.147 -10.461 1.00 1.00 H new ATOM 0 HD3 LYS A 107 15.484 2.907 -10.613 1.00 1.00 H new ATOM 0 HE2 LYS A 107 13.542 1.937 -12.314 1.00 1.00 H new ATOM 0 HE3 LYS A 107 13.322 3.666 -12.494 1.00 1.00 H new ATOM 0 HZ1 LYS A 107 14.975 2.898 -14.024 1.00 1.00 H new ATOM 0 HZ2 LYS A 107 15.731 3.870 -12.854 1.00 1.00 H new ATOM 0 HZ3 LYS A 107 15.877 2.180 -12.777 1.00 1.00 H new ATOM 1671 N LEU A 108 11.768 -0.641 -8.162 1.00 1.00 N ATOM 1672 CA LEU A 108 10.469 -1.298 -8.268 1.00 1.00 C ATOM 1673 C LEU A 108 9.599 -0.209 -8.903 1.00 1.00 C ATOM 1674 O LEU A 108 9.185 0.766 -8.276 1.00 1.00 O ATOM 1675 CB LEU A 108 10.012 -1.707 -6.866 1.00 1.00 C ATOM 1676 CG LEU A 108 8.630 -2.360 -6.686 1.00 1.00 C ATOM 1677 CD1 LEU A 108 7.498 -1.343 -6.614 1.00 1.00 C ATOM 1678 CD2 LEU A 108 8.316 -3.405 -7.745 1.00 1.00 C ATOM 0 H LEU A 108 11.730 0.234 -7.639 1.00 1.00 H new ATOM 0 HA LEU A 108 10.445 -2.215 -8.857 1.00 1.00 H new ATOM 0 HB2 LEU A 108 10.755 -2.398 -6.467 1.00 1.00 H new ATOM 0 HB3 LEU A 108 10.037 -0.815 -6.240 1.00 1.00 H new ATOM 0 HG LEU A 108 8.695 -2.868 -5.724 1.00 1.00 H new ATOM 0 HD11 LEU A 108 6.549 -1.864 -6.487 1.00 1.00 H new ATOM 0 HD12 LEU A 108 7.662 -0.675 -5.768 1.00 1.00 H new ATOM 0 HD13 LEU A 108 7.472 -0.761 -7.535 1.00 1.00 H new ATOM 0 HD21 LEU A 108 7.328 -3.826 -7.559 1.00 1.00 H new ATOM 0 HD22 LEU A 108 8.333 -2.941 -8.731 1.00 1.00 H new ATOM 0 HD23 LEU A 108 9.062 -4.199 -7.705 1.00 1.00 H new ATOM 1690 N VAL A 109 9.472 -0.322 -10.267 1.00 1.00 N ATOM 1691 CA VAL A 109 8.550 0.565 -10.973 1.00 1.00 C ATOM 1692 C VAL A 109 7.150 -0.053 -10.774 1.00 1.00 C ATOM 1693 O VAL A 109 6.958 -1.270 -10.770 1.00 1.00 O ATOM 1694 CB VAL A 109 8.923 0.698 -12.462 1.00 1.00 C ATOM 1695 CG1 VAL A 109 7.951 1.599 -13.231 1.00 1.00 C ATOM 1696 CG2 VAL A 109 10.343 1.254 -12.620 1.00 1.00 C ATOM 0 H VAL A 109 9.977 -0.988 -10.852 1.00 1.00 H new ATOM 0 HA VAL A 109 8.588 1.582 -10.582 1.00 1.00 H new ATOM 0 HB VAL A 109 8.865 -0.306 -12.882 1.00 1.00 H new ATOM 0 HG11 VAL A 109 8.259 1.659 -14.275 1.00 1.00 H new ATOM 0 HG12 VAL A 109 6.945 1.183 -13.173 1.00 1.00 H new ATOM 0 HG13 VAL A 109 7.956 2.597 -12.793 1.00 1.00 H new ATOM 0 HG21 VAL A 109 10.585 1.339 -13.679 1.00 1.00 H new ATOM 0 HG22 VAL A 109 10.403 2.238 -12.154 1.00 1.00 H new ATOM 0 HG23 VAL A 109 11.053 0.581 -12.139 1.00 1.00 H new ATOM 1706 N GLU A 110 6.148 0.863 -10.580 1.00 1.00 N ATOM 1707 CA GLU A 110 4.745 0.505 -10.581 1.00 1.00 C ATOM 1708 C GLU A 110 4.043 1.281 -11.706 1.00 1.00 C ATOM 1709 O GLU A 110 4.426 2.384 -12.093 1.00 1.00 O ATOM 1710 CB GLU A 110 4.041 0.823 -9.264 1.00 1.00 C ATOM 1711 CG GLU A 110 4.554 -0.008 -8.098 1.00 1.00 C ATOM 1712 CD GLU A 110 3.494 0.003 -7.027 1.00 1.00 C ATOM 1713 OE1 GLU A 110 3.243 1.099 -6.454 1.00 1.00 O ATOM 1714 OE2 GLU A 110 2.824 -1.070 -6.930 1.00 1.00 O ATOM 0 H GLU A 110 6.320 1.856 -10.422 1.00 1.00 H new ATOM 0 HA GLU A 110 4.688 -0.574 -10.728 1.00 1.00 H new ATOM 0 HB2 GLU A 110 4.173 1.880 -9.035 1.00 1.00 H new ATOM 0 HB3 GLU A 110 2.971 0.653 -9.381 1.00 1.00 H new ATOM 0 HG2 GLU A 110 4.763 -1.029 -8.418 1.00 1.00 H new ATOM 0 HG3 GLU A 110 5.488 0.404 -7.716 1.00 1.00 H new ATOM 1721 N VAL A 111 2.909 0.665 -12.186 1.00 1.00 N ATOM 1722 CA VAL A 111 2.072 1.245 -13.225 1.00 1.00 C ATOM 1723 C VAL A 111 0.643 0.740 -12.949 1.00 1.00 C ATOM 1724 O VAL A 111 0.327 -0.441 -13.124 1.00 1.00 O ATOM 1725 CB VAL A 111 2.488 0.820 -14.655 1.00 1.00 C ATOM 1726 CG1 VAL A 111 1.586 1.493 -15.701 1.00 1.00 C ATOM 1727 CG2 VAL A 111 3.943 1.161 -14.981 1.00 1.00 C ATOM 0 H VAL A 111 2.577 -0.238 -11.848 1.00 1.00 H new ATOM 0 HA VAL A 111 2.163 2.331 -13.192 1.00 1.00 H new ATOM 0 HB VAL A 111 2.377 -0.264 -14.689 1.00 1.00 H new ATOM 0 HG11 VAL A 111 1.893 1.183 -16.700 1.00 1.00 H new ATOM 0 HG12 VAL A 111 0.550 1.198 -15.532 1.00 1.00 H new ATOM 0 HG13 VAL A 111 1.674 2.576 -15.614 1.00 1.00 H new ATOM 0 HG21 VAL A 111 4.174 0.838 -15.996 1.00 1.00 H new ATOM 0 HG22 VAL A 111 4.091 2.238 -14.900 1.00 1.00 H new ATOM 0 HG23 VAL A 111 4.602 0.650 -14.279 1.00 1.00 H new ATOM 1737 N SER A 112 -0.245 1.671 -12.453 1.00 1.00 N ATOM 1738 CA SER A 112 -1.676 1.444 -12.611 1.00 1.00 C ATOM 1739 C SER A 112 -2.185 1.974 -13.953 1.00 1.00 C ATOM 1740 O SER A 112 -1.594 2.811 -14.633 1.00 1.00 O ATOM 1741 CB SER A 112 -2.571 2.007 -11.498 1.00 1.00 C ATOM 1742 OG SER A 112 -2.873 0.992 -10.538 1.00 1.00 O ATOM 0 H SER A 112 0.014 2.532 -11.970 1.00 1.00 H new ATOM 0 HA SER A 112 -1.759 0.359 -12.556 1.00 1.00 H new ATOM 0 HB2 SER A 112 -2.070 2.842 -11.008 1.00 1.00 H new ATOM 0 HB3 SER A 112 -3.494 2.396 -11.927 1.00 1.00 H new ATOM 0 HG SER A 112 -3.329 0.247 -10.982 1.00 1.00 H new ATOM 1748 N THR A 113 -3.411 1.454 -14.296 1.00 1.00 N ATOM 1749 CA THR A 113 -4.228 2.000 -15.374 1.00 1.00 C ATOM 1750 C THR A 113 -5.670 1.973 -14.848 1.00 1.00 C ATOM 1751 O THR A 113 -6.074 1.057 -14.130 1.00 1.00 O ATOM 1752 CB THR A 113 -4.124 1.171 -16.670 1.00 1.00 C ATOM 1753 OG1 THR A 113 -2.856 0.499 -16.765 1.00 1.00 O ATOM 1754 CG2 THR A 113 -4.309 2.031 -17.915 1.00 1.00 C ATOM 0 H THR A 113 -3.833 0.655 -13.823 1.00 1.00 H new ATOM 0 HA THR A 113 -3.891 3.004 -15.634 1.00 1.00 H new ATOM 0 HB THR A 113 -4.927 0.436 -16.621 1.00 1.00 H new ATOM 0 HG1 THR A 113 -2.822 -0.019 -17.596 1.00 1.00 H new ATOM 0 HG21 THR A 113 -4.228 1.406 -18.804 1.00 1.00 H new ATOM 0 HG22 THR A 113 -5.292 2.501 -17.890 1.00 1.00 H new ATOM 0 HG23 THR A 113 -3.539 2.802 -17.942 1.00 1.00 H new ATOM 1762 N VAL A 114 -6.441 3.031 -15.264 1.00 1.00 N ATOM 1763 CA VAL A 114 -7.795 3.280 -14.732 1.00 1.00 C ATOM 1764 C VAL A 114 -8.698 3.693 -15.909 1.00 1.00 C ATOM 1765 O VAL A 114 -9.486 4.632 -15.913 1.00 1.00 O ATOM 1766 CB VAL A 114 -7.738 4.251 -13.543 1.00 1.00 C ATOM 1767 CG1 VAL A 114 -7.339 5.679 -13.916 1.00 1.00 C ATOM 1768 CG2 VAL A 114 -9.015 4.272 -12.713 1.00 1.00 C ATOM 0 H VAL A 114 -6.137 3.711 -15.961 1.00 1.00 H new ATOM 0 HA VAL A 114 -8.245 2.385 -14.303 1.00 1.00 H new ATOM 0 HB VAL A 114 -6.938 3.840 -12.927 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -7.323 6.298 -13.019 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -6.348 5.673 -14.370 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -8.061 6.085 -14.625 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -8.903 4.979 -11.891 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -9.852 4.575 -13.341 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -9.205 3.276 -12.312 1.00 1.00 H new ATOM 1778 N GLY A 115 -8.576 2.832 -16.978 1.00 1.00 N ATOM 1779 CA GLY A 115 -9.248 3.080 -18.231 1.00 1.00 C ATOM 1780 C GLY A 115 -8.442 4.114 -19.015 1.00 1.00 C ATOM 1781 O GLY A 115 -7.439 3.819 -19.659 1.00 1.00 O ATOM 0 H GLY A 115 -8.016 1.979 -16.961 1.00 1.00 H new ATOM 0 HA2 GLY A 115 -9.337 2.156 -18.803 1.00 1.00 H new ATOM 0 HA3 GLY A 115 -10.260 3.444 -18.053 1.00 1.00 H new ATOM 1785 N GLY A 116 -8.867 5.411 -18.831 1.00 1.00 N ATOM 1786 CA GLY A 116 -8.365 6.512 -19.633 1.00 1.00 C ATOM 1787 C GLY A 116 -7.219 7.330 -19.027 1.00 1.00 C ATOM 1788 O GLY A 116 -6.864 8.398 -19.525 1.00 1.00 O ATOM 0 H GLY A 116 -9.554 5.686 -18.129 1.00 1.00 H new ATOM 0 HA2 GLY A 116 -8.030 6.112 -20.590 1.00 1.00 H new ATOM 0 HA3 GLY A 116 -9.194 7.188 -19.842 1.00 1.00 H new ATOM 1792 N VAL A 117 -6.604 6.795 -17.924 1.00 1.00 N ATOM 1793 CA VAL A 117 -5.424 7.398 -17.301 1.00 1.00 C ATOM 1794 C VAL A 117 -4.494 6.238 -16.849 1.00 1.00 C ATOM 1795 O VAL A 117 -4.933 5.169 -16.416 1.00 1.00 O ATOM 1796 CB VAL A 117 -5.848 8.357 -16.158 1.00 1.00 C ATOM 1797 CG1 VAL A 117 -4.822 8.520 -15.044 1.00 1.00 C ATOM 1798 CG2 VAL A 117 -6.156 9.752 -16.708 1.00 1.00 C ATOM 0 H VAL A 117 -6.924 5.944 -17.462 1.00 1.00 H new ATOM 0 HA VAL A 117 -4.867 8.024 -17.999 1.00 1.00 H new ATOM 0 HB VAL A 117 -6.730 7.884 -15.726 1.00 1.00 H new ATOM 0 HG11 VAL A 117 -5.208 9.208 -14.292 1.00 1.00 H new ATOM 0 HG12 VAL A 117 -4.628 7.551 -14.584 1.00 1.00 H new ATOM 0 HG13 VAL A 117 -3.895 8.917 -15.458 1.00 1.00 H new ATOM 0 HG21 VAL A 117 -6.451 10.409 -15.890 1.00 1.00 H new ATOM 0 HG22 VAL A 117 -5.268 10.155 -17.195 1.00 1.00 H new ATOM 0 HG23 VAL A 117 -6.968 9.687 -17.432 1.00 1.00 H new ATOM 1808 N SER A 118 -3.144 6.506 -16.950 1.00 1.00 N ATOM 1809 CA SER A 118 -2.115 5.690 -16.297 1.00 1.00 C ATOM 1810 C SER A 118 -1.794 6.300 -14.926 1.00 1.00 C ATOM 1811 O SER A 118 -2.041 7.471 -14.648 1.00 1.00 O ATOM 1812 CB SER A 118 -0.802 5.668 -17.100 1.00 1.00 C ATOM 1813 OG SER A 118 -0.287 6.993 -17.274 1.00 1.00 O ATOM 0 H SER A 118 -2.768 7.289 -17.485 1.00 1.00 H new ATOM 0 HA SER A 118 -2.505 4.675 -16.218 1.00 1.00 H new ATOM 0 HB2 SER A 118 -0.066 5.052 -16.584 1.00 1.00 H new ATOM 0 HB3 SER A 118 -0.974 5.210 -18.074 1.00 1.00 H new ATOM 0 HG SER A 118 0.593 7.061 -16.847 1.00 1.00 H new ATOM 1819 N TYR A 119 -1.128 5.474 -14.061 1.00 1.00 N ATOM 1820 CA TYR A 119 -0.423 6.003 -12.893 1.00 1.00 C ATOM 1821 C TYR A 119 0.835 5.166 -12.732 1.00 1.00 C ATOM 1822 O TYR A 119 0.867 4.127 -12.078 1.00 1.00 O ATOM 1823 CB TYR A 119 -1.293 5.999 -11.644 1.00 1.00 C ATOM 1824 CG TYR A 119 -0.682 6.356 -10.307 1.00 1.00 C ATOM 1825 CD1 TYR A 119 0.463 7.148 -10.145 1.00 1.00 C ATOM 1826 CD2 TYR A 119 -1.341 5.897 -9.154 1.00 1.00 C ATOM 1827 CE1 TYR A 119 0.950 7.437 -8.863 1.00 1.00 C ATOM 1828 CE2 TYR A 119 -0.872 6.205 -7.880 1.00 1.00 C ATOM 1829 CZ TYR A 119 0.279 6.962 -7.742 1.00 1.00 C ATOM 1830 OH TYR A 119 0.705 7.212 -6.472 1.00 1.00 O ATOM 0 H TYR A 119 -1.076 4.461 -14.164 1.00 1.00 H new ATOM 0 HA TYR A 119 -0.165 7.052 -13.040 1.00 1.00 H new ATOM 0 HB2 TYR A 119 -2.119 6.688 -11.820 1.00 1.00 H new ATOM 0 HB3 TYR A 119 -1.724 5.002 -11.550 1.00 1.00 H new ATOM 0 HD1 TYR A 119 0.973 7.538 -11.013 1.00 1.00 H new ATOM 0 HD2 TYR A 119 -2.230 5.293 -9.258 1.00 1.00 H new ATOM 0 HE1 TYR A 119 1.846 8.028 -8.746 1.00 1.00 H new ATOM 0 HE2 TYR A 119 -1.402 5.856 -7.006 1.00 1.00 H new ATOM 0 HH TYR A 119 1.564 7.683 -6.502 1.00 1.00 H new ATOM 1840 N GLU A 120 1.870 5.641 -13.489 1.00 1.00 N ATOM 1841 CA GLU A 120 3.234 5.202 -13.347 1.00 1.00 C ATOM 1842 C GLU A 120 3.891 5.904 -12.132 1.00 1.00 C ATOM 1843 O GLU A 120 3.635 7.060 -11.789 1.00 1.00 O ATOM 1844 CB GLU A 120 4.037 5.375 -14.641 1.00 1.00 C ATOM 1845 CG GLU A 120 4.244 6.815 -15.113 1.00 1.00 C ATOM 1846 CD GLU A 120 3.088 7.601 -15.713 1.00 1.00 C ATOM 1847 OE1 GLU A 120 1.927 7.105 -15.646 1.00 1.00 O ATOM 1848 OE2 GLU A 120 3.404 8.726 -16.204 1.00 1.00 O ATOM 0 H GLU A 120 1.746 6.347 -14.215 1.00 1.00 H new ATOM 0 HA GLU A 120 3.233 4.130 -13.152 1.00 1.00 H new ATOM 0 HB2 GLU A 120 5.015 4.915 -14.503 1.00 1.00 H new ATOM 0 HB3 GLU A 120 3.534 4.822 -15.434 1.00 1.00 H new ATOM 0 HG2 GLU A 120 4.612 7.384 -14.260 1.00 1.00 H new ATOM 0 HG3 GLU A 120 5.043 6.800 -15.855 1.00 1.00 H new ATOM 1855 N ARG A 121 4.814 5.109 -11.491 1.00 1.00 N ATOM 1856 CA ARG A 121 5.441 5.475 -10.228 1.00 1.00 C ATOM 1857 C ARG A 121 6.760 4.689 -10.163 1.00 1.00 C ATOM 1858 O ARG A 121 6.841 3.492 -10.440 1.00 1.00 O ATOM 1859 CB ARG A 121 4.540 5.101 -9.044 1.00 1.00 C ATOM 1860 CG ARG A 121 5.196 5.328 -7.680 1.00 1.00 C ATOM 1861 CD ARG A 121 5.252 4.086 -6.822 1.00 1.00 C ATOM 1862 NE ARG A 121 3.971 3.520 -6.421 1.00 1.00 N ATOM 1863 CZ ARG A 121 2.935 4.014 -5.745 1.00 1.00 C ATOM 1864 NH1 ARG A 121 2.735 5.293 -5.456 1.00 1.00 N ATOM 1865 NH2 ARG A 121 2.051 3.120 -5.286 1.00 1.00 N ATOM 0 H ARG A 121 5.123 4.208 -11.856 1.00 1.00 H new ATOM 0 HA ARG A 121 5.611 6.550 -10.171 1.00 1.00 H new ATOM 0 HB2 ARG A 121 3.622 5.686 -9.098 1.00 1.00 H new ATOM 0 HB3 ARG A 121 4.256 4.052 -9.131 1.00 1.00 H new ATOM 0 HG2 ARG A 121 6.209 5.701 -7.831 1.00 1.00 H new ATOM 0 HG3 ARG A 121 4.647 6.104 -7.146 1.00 1.00 H new ATOM 0 HD2 ARG A 121 5.809 3.321 -7.363 1.00 1.00 H new ATOM 0 HD3 ARG A 121 5.821 4.318 -5.921 1.00 1.00 H new ATOM 0 HE ARG A 121 3.842 2.552 -6.717 1.00 1.00 H new ATOM 0 HH11 ARG A 121 3.409 5.996 -5.759 1.00 1.00 H new ATOM 0 HH12 ARG A 121 1.907 5.574 -4.931 1.00 1.00 H new ATOM 0 HH21 ARG A 121 2.193 2.125 -5.462 1.00 1.00 H new ATOM 0 HH22 ARG A 121 1.235 3.433 -4.760 1.00 1.00 H new ATOM 1879 N VAL A 122 7.845 5.425 -9.768 1.00 1.00 N ATOM 1880 CA VAL A 122 9.186 4.871 -9.684 1.00 1.00 C ATOM 1881 C VAL A 122 9.533 4.778 -8.178 1.00 1.00 C ATOM 1882 O VAL A 122 9.571 5.768 -7.444 1.00 1.00 O ATOM 1883 CB VAL A 122 10.182 5.776 -10.436 1.00 1.00 C ATOM 1884 CG1 VAL A 122 11.544 5.097 -10.522 1.00 1.00 C ATOM 1885 CG2 VAL A 122 9.708 6.108 -11.857 1.00 1.00 C ATOM 0 H VAL A 122 7.789 6.409 -9.506 1.00 1.00 H new ATOM 0 HA VAL A 122 9.243 3.886 -10.147 1.00 1.00 H new ATOM 0 HB VAL A 122 10.252 6.706 -9.872 1.00 1.00 H new ATOM 0 HG11 VAL A 122 12.240 5.744 -11.055 1.00 1.00 H new ATOM 0 HG12 VAL A 122 11.921 4.909 -9.517 1.00 1.00 H new ATOM 0 HG13 VAL A 122 11.446 4.152 -11.056 1.00 1.00 H new ATOM 0 HG21 VAL A 122 10.443 6.748 -12.346 1.00 1.00 H new ATOM 0 HG22 VAL A 122 9.593 5.186 -12.427 1.00 1.00 H new ATOM 0 HG23 VAL A 122 8.751 6.627 -11.809 1.00 1.00 H new ATOM 1895 N SER A 123 9.757 3.502 -7.713 1.00 1.00 N ATOM 1896 CA SER A 123 10.143 3.202 -6.331 1.00 1.00 C ATOM 1897 C SER A 123 11.498 2.479 -6.333 1.00 1.00 C ATOM 1898 O SER A 123 11.914 1.855 -7.310 1.00 1.00 O ATOM 1899 CB SER A 123 9.112 2.329 -5.589 1.00 1.00 C ATOM 1900 OG SER A 123 7.880 2.186 -6.295 1.00 1.00 O ATOM 0 H SER A 123 9.669 2.673 -8.301 1.00 1.00 H new ATOM 0 HA SER A 123 10.200 4.153 -5.802 1.00 1.00 H new ATOM 0 HB2 SER A 123 9.540 1.342 -5.416 1.00 1.00 H new ATOM 0 HB3 SER A 123 8.913 2.766 -4.611 1.00 1.00 H new ATOM 0 HG SER A 123 8.033 1.680 -7.120 1.00 1.00 H new ATOM 1906 N LYS A 124 12.188 2.496 -5.145 1.00 1.00 N ATOM 1907 CA LYS A 124 13.570 2.040 -5.054 1.00 1.00 C ATOM 1908 C LYS A 124 13.801 1.400 -3.678 1.00 1.00 C ATOM 1909 O LYS A 124 13.288 1.819 -2.638 1.00 1.00 O ATOM 1910 CB LYS A 124 14.531 3.202 -5.323 1.00 1.00 C ATOM 1911 CG LYS A 124 16.028 2.903 -5.189 1.00 1.00 C ATOM 1912 CD LYS A 124 16.580 1.864 -6.165 1.00 1.00 C ATOM 1913 CE LYS A 124 16.871 2.420 -7.557 1.00 1.00 C ATOM 1914 NZ LYS A 124 17.386 1.329 -8.397 1.00 1.00 N ATOM 0 H LYS A 124 11.793 2.821 -4.262 1.00 1.00 H new ATOM 0 HA LYS A 124 13.766 1.284 -5.814 1.00 1.00 H new ATOM 0 HB2 LYS A 124 14.347 3.569 -6.333 1.00 1.00 H new ATOM 0 HB3 LYS A 124 14.284 4.013 -4.639 1.00 1.00 H new ATOM 0 HG2 LYS A 124 16.580 3.833 -5.324 1.00 1.00 H new ATOM 0 HG3 LYS A 124 16.223 2.561 -4.173 1.00 1.00 H new ATOM 0 HD2 LYS A 124 17.497 1.443 -5.753 1.00 1.00 H new ATOM 0 HD3 LYS A 124 15.865 1.046 -6.253 1.00 1.00 H new ATOM 0 HE2 LYS A 124 15.965 2.839 -7.994 1.00 1.00 H new ATOM 0 HE3 LYS A 124 17.600 3.228 -7.497 1.00 1.00 H new ATOM 0 HZ1 LYS A 124 18.366 1.539 -8.676 1.00 1.00 H new ATOM 0 HZ2 LYS A 124 17.362 0.438 -7.862 1.00 1.00 H new ATOM 0 HZ3 LYS A 124 16.795 1.238 -9.248 1.00 1.00 H new ATOM 1928 N LYS A 125 14.636 0.300 -3.704 1.00 1.00 N ATOM 1929 CA LYS A 125 14.971 -0.438 -2.496 1.00 1.00 C ATOM 1930 C LYS A 125 16.124 0.272 -1.759 1.00 1.00 C ATOM 1931 O LYS A 125 17.293 -0.103 -1.806 1.00 1.00 O ATOM 1932 CB LYS A 125 15.352 -1.887 -2.832 1.00 1.00 C ATOM 1933 CG LYS A 125 15.420 -2.773 -1.581 1.00 1.00 C ATOM 1934 CD LYS A 125 15.958 -4.185 -1.844 1.00 1.00 C ATOM 1935 CE LYS A 125 15.235 -4.975 -2.926 1.00 1.00 C ATOM 1936 NZ LYS A 125 13.865 -5.294 -2.517 1.00 1.00 N ATOM 0 H LYS A 125 15.068 -0.065 -4.553 1.00 1.00 H new ATOM 0 HA LYS A 125 14.098 -0.466 -1.844 1.00 1.00 H new ATOM 0 HB2 LYS A 125 14.623 -2.300 -3.529 1.00 1.00 H new ATOM 0 HB3 LYS A 125 16.318 -1.899 -3.337 1.00 1.00 H new ATOM 0 HG2 LYS A 125 16.053 -2.287 -0.838 1.00 1.00 H new ATOM 0 HG3 LYS A 125 14.422 -2.850 -1.149 1.00 1.00 H new ATOM 0 HD2 LYS A 125 17.010 -4.108 -2.118 1.00 1.00 H new ATOM 0 HD3 LYS A 125 15.911 -4.751 -0.914 1.00 1.00 H new ATOM 0 HE2 LYS A 125 15.217 -4.399 -3.851 1.00 1.00 H new ATOM 0 HE3 LYS A 125 15.780 -5.896 -3.134 1.00 1.00 H new ATOM 0 HZ1 LYS A 125 13.794 -6.309 -2.302 1.00 1.00 H new ATOM 0 HZ2 LYS A 125 13.618 -4.743 -1.671 1.00 1.00 H new ATOM 0 HZ3 LYS A 125 13.208 -5.057 -3.288 1.00 1.00 H new ATOM 1950 N LEU A 126 15.730 1.343 -1.000 1.00 1.00 N ATOM 1951 CA LEU A 126 16.638 2.122 -0.151 1.00 1.00 C ATOM 1952 C LEU A 126 16.831 1.439 1.222 1.00 1.00 C ATOM 1953 O LEU A 126 17.004 2.015 2.294 1.00 1.00 O ATOM 1954 CB LEU A 126 16.160 3.562 0.011 1.00 1.00 C ATOM 1955 CG LEU A 126 16.087 4.342 -1.315 1.00 1.00 C ATOM 1956 CD1 LEU A 126 15.682 5.784 -1.023 1.00 1.00 C ATOM 1957 CD2 LEU A 126 17.409 4.318 -2.084 1.00 1.00 C ATOM 0 H LEU A 126 14.766 1.676 -0.973 1.00 1.00 H new ATOM 0 HA LEU A 126 17.607 2.157 -0.650 1.00 1.00 H new ATOM 0 HB2 LEU A 126 15.174 3.558 0.475 1.00 1.00 H new ATOM 0 HB3 LEU A 126 16.831 4.084 0.693 1.00 1.00 H new ATOM 0 HG LEU A 126 15.344 3.856 -1.947 1.00 1.00 H new ATOM 0 HD11 LEU A 126 15.628 6.343 -1.957 1.00 1.00 H new ATOM 0 HD12 LEU A 126 14.707 5.797 -0.536 1.00 1.00 H new ATOM 0 HD13 LEU A 126 16.421 6.244 -0.367 1.00 1.00 H new ATOM 0 HD21 LEU A 126 17.301 4.883 -3.010 1.00 1.00 H new ATOM 0 HD22 LEU A 126 18.193 4.767 -1.474 1.00 1.00 H new ATOM 0 HD23 LEU A 126 17.676 3.287 -2.316 1.00 1.00 H new ATOM 1969 N ALA A 127 17.036 0.083 1.118 1.00 1.00 N ATOM 1970 CA ALA A 127 17.468 -0.725 2.253 1.00 1.00 C ATOM 1971 C ALA A 127 18.966 -0.524 2.543 1.00 0.00 C ATOM 1972 O ALA A 127 19.795 -1.423 2.523 1.00 0.00 O ATOM 1973 CB ALA A 127 17.157 -2.194 1.993 1.00 1.00 C ATOM 1974 OXT ALA A 127 19.293 0.751 2.863 1.00 0.00 O ATOM 0 H ALA A 127 16.903 -0.445 0.256 1.00 1.00 H new ATOM 0 HA ALA A 127 16.918 -0.400 3.136 1.00 1.00 H new ATOM 0 HB1 ALA A 127 17.482 -2.791 2.845 1.00 1.00 H new ATOM 0 HB2 ALA A 127 16.084 -2.319 1.851 1.00 1.00 H new ATOM 0 HB3 ALA A 127 17.682 -2.524 1.097 1.00 1.00 H new TER 1981 ALA A 127 HETATM 1982 C GCH A 128 0.566 -2.816 -4.982 1.00 0.00 C HETATM 1983 O GCH A 128 1.223 -2.988 -6.228 1.00 0.00 O HETATM 1984 C1 GCH A 128 0.007 -1.401 -4.851 1.00 0.00 C HETATM 1985 C2 GCH A 128 -0.691 -1.202 -3.492 1.00 0.00 C HETATM 1986 C3 GCH A 128 -1.774 -2.294 -3.193 1.00 0.00 C HETATM 1987 C4 GCH A 128 -1.204 -3.712 -3.492 1.00 0.00 C HETATM 1988 C5 GCH A 128 -0.551 -3.838 -4.860 1.00 0.00 C HETATM 1989 C6 GCH A 128 -2.066 -2.278 -1.670 1.00 0.00 C HETATM 1990 C7 GCH A 128 -1.231 0.239 -3.343 1.00 0.00 C HETATM 1991 C8 GCH A 128 -2.569 0.519 -4.035 1.00 0.00 C HETATM 1992 O1 GCH A 128 -2.372 0.632 -5.449 1.00 0.00 O HETATM 1993 C9 GCH A 128 -3.620 -0.557 -3.693 1.00 0.00 C HETATM 1994 C10 GCH A 128 -3.077 -1.982 -4.031 1.00 0.00 C HETATM 1995 C11 GCH A 128 -4.160 -3.092 -3.924 1.00 0.00 C HETATM 1996 C12 GCH A 128 -5.519 -2.739 -4.554 1.00 0.00 C HETATM 1997 C13 GCH A 128 -6.046 -1.381 -4.041 1.00 0.00 C HETATM 1998 C14 GCH A 128 -4.971 -0.315 -4.378 1.00 0.00 C HETATM 1999 C15 GCH A 128 -5.670 1.011 -4.085 1.00 0.00 C HETATM 2000 C16 GCH A 128 -7.153 0.752 -4.391 1.00 0.00 C HETATM 2001 C17 GCH A 128 -7.279 -0.745 -4.782 1.00 0.00 C HETATM 2002 C18 GCH A 128 -8.687 -1.358 -4.515 1.00 0.00 C HETATM 2003 C19 GCH A 128 -8.886 -2.680 -5.265 1.00 0.00 C HETATM 2004 C20 GCH A 128 -9.878 -0.416 -4.825 1.00 0.00 C HETATM 2005 C21 GCH A 128 -10.089 -0.071 -6.303 1.00 0.00 C HETATM 2006 C22 GCH A 128 -11.096 1.052 -6.474 1.00 0.00 C HETATM 2007 N GCH A 128 -11.566 1.204 -7.753 1.00 0.00 N HETATM 2008 CA GCH A 128 -12.526 2.236 -8.108 1.00 0.00 C HETATM 2009 O2 GCH A 128 -11.426 1.790 -5.544 1.00 0.00 O HETATM 2010 C23 GCH A 128 -6.312 -1.475 -2.516 1.00 0.00 C HETATM 2011 O3 GCH A 128 -5.354 -2.741 -5.974 1.00 0.00 O HETATM 2012 C24 GCH A 128 -13.971 1.793 -7.936 1.00 0.00 C HETATM 2013 O4 GCH A 128 -14.768 2.209 -8.945 1.00 0.00 O HETATM 2014 O5 GCH A 128 -14.442 1.167 -7.002 1.00 0.00 O HETATM 0 H9 GCH A 128 0.069 -1.339 -2.723 1.00 0.00 H new HETATM 0 H8 GCH A 128 -1.150 -2.498 -1.122 1.00 0.00 H new HETATM 0 H7 GCH A 128 -2.435 -1.294 -1.381 1.00 0.00 H new HETATM 0 H6 GCH A 128 -2.818 -3.031 -1.436 1.00 0.00 H new HETATM 0 H5 GCH A 128 -0.472 -3.968 -2.726 1.00 0.00 H new HETATM 0 H43 GCH A 128 -15.624 1.734 -8.903 1.00 0.00 H new HETATM 0 H42 GCH A 128 -3.780 -3.996 -4.400 1.00 0.00 H new HETATM 0 H41 GCH A 128 -4.315 -3.327 -2.871 1.00 0.00 H new HETATM 0 H40 GCH A 128 -6.268 -3.478 -4.267 1.00 0.00 H new HETATM 0 H4 GCH A 128 -2.011 -4.441 -3.417 1.00 0.00 H new HETATM 0 H39 GCH A 128 -6.229 -2.840 -6.405 1.00 0.00 H new HETATM 0 H38 GCH A 128 -7.054 -2.250 -2.323 1.00 0.00 H new HETATM 0 H37 GCH A 128 -5.385 -1.724 -2.000 1.00 0.00 H new HETATM 0 H36 GCH A 128 -6.684 -0.517 -2.152 1.00 0.00 H new HETATM 0 H35 GCH A 128 -4.643 -0.343 -5.417 1.00 0.00 H new HETATM 0 H34 GCH A 128 -5.527 1.312 -3.047 1.00 0.00 H new HETATM 0 H33 GCH A 128 -5.272 1.813 -4.707 1.00 0.00 H new HETATM 0 H32 GCH A 128 -7.771 0.977 -3.522 1.00 0.00 H new HETATM 0 H31 GCH A 128 -7.497 1.393 -5.202 1.00 0.00 H new HETATM 0 H30 GCH A 128 -7.233 -0.945 -5.853 1.00 0.00 H new HETATM 0 H3 GCH A 128 -1.291 -3.680 -5.644 1.00 0.00 H new HETATM 0 H29 GCH A 128 -8.693 -1.531 -3.439 1.00 0.00 H new HETATM 0 H28 GCH A 128 -10.790 -0.877 -4.445 1.00 0.00 H new HETATM 0 H27 GCH A 128 -9.736 0.512 -4.272 1.00 0.00 H new HETATM 0 H26 GCH A 128 -9.138 0.221 -6.749 1.00 0.00 H new HETATM 0 H25 GCH A 128 -10.434 -0.955 -6.838 1.00 0.00 H new HETATM 0 H24 GCH A 128 -11.231 0.572 -8.480 1.00 0.00 H new HETATM 0 H23 GCH A 128 -12.347 3.117 -7.492 1.00 0.00 H new HETATM 0 H22 GCH A 128 -12.364 2.533 -9.144 1.00 0.00 H new HETATM 0 H21 GCH A 128 -8.786 -2.509 -6.337 1.00 0.00 H new HETATM 0 H20 GCH A 128 -8.134 -3.399 -4.941 1.00 0.00 H new HETATM 0 H2 GCH A 128 -0.154 -4.844 -4.995 1.00 0.00 H new HETATM 0 H19 GCH A 128 -9.880 -3.073 -5.051 1.00 0.00 H new HETATM 0 H18 GCH A 128 -1.338 0.460 -2.281 1.00 0.00 H new HETATM 0 H17 GCH A 128 -0.486 0.930 -3.738 1.00 0.00 H new HETATM 0 H16 GCH A 128 -2.959 1.467 -3.664 1.00 0.00 H new HETATM 0 H15 GCH A 128 -3.800 -0.488 -2.620 1.00 0.00 H new HETATM 0 H14 GCH A 128 -2.793 -1.983 -5.083 1.00 0.00 H new HETATM 0 H13 GCH A 128 -3.119 1.127 -5.845 1.00 0.00 H new HETATM 0 H12 GCH A 128 1.287 -2.966 -4.178 1.00 0.00 H new HETATM 0 H11 GCH A 128 0.815 -0.677 -4.958 1.00 0.00 H new HETATM 0 H10 GCH A 128 -0.701 -1.210 -5.658 1.00 0.00 H new HETATM 0 H1 GCH A 128 1.977 -2.365 -6.289 1.00 0.00 H new