USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 937 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 THR OG1 : rot -179:sc= 0.0223 USER MOD Set 1.2: A 74 LYS NZ :NH3+ -117:sc= 0.0225 (180deg=0) USER MOD Set 2.1: A 32 TYR OH : rot 180:sc= 0.784 USER MOD Set 2.2: A 102 THR OG1 : rot -108:sc= 1.2 USER MOD Set 3.1: A 7 LYS NZ :NH3+ -167:sc= 0.197 (180deg=0.0745!) USER MOD Set 3.2: A 17 TYR OH : rot 180:sc= -0.164 USER MOD Single : A 1 MET CE :methyl -139:sc= -0.381 (180deg=-3.52) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= -0.22 K(o=-0.22,f=-1.9!) USER MOD Single : A 3 SER OG : rot -86:sc= 1.19 USER MOD Single : A 22 ASN : amide:sc= -0.0842 K(o=-0.084,f=-2.2!) USER MOD Single : A 25 HIS : no HD1:sc= 1.09 K(o=1.1,f=-5!) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= 2.33 (180deg=2.18) USER MOD Single : A 36 LYS NZ :NH3+ -163:sc= 1.22 (180deg=0.818) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -166:sc= -0.052 (180deg=-0.272) USER MOD Single : A 46 TYR OH : rot 180:sc= -1.5! USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 166:sc= -0.0889 (180deg=-0.43) USER MOD Single : A 64 LYS NZ :NH3+ 161:sc= 1.26 (180deg=1.19) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -117:sc= 0.474 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -148:sc= 1.24 (180deg=0.745) USER MOD Single : A 72 LYS NZ :NH3+ 146:sc= 1.22 (180deg=0.768) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 118:sc= 1.61 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 THR OG1 : rot 151:sc= 1.36 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -110:sc= 1.26 USER MOD Single : A 94 GLN : amide:sc= -0.47 K(o=-0.47,f=-1.4) USER MOD Single : A 95 LYS NZ :NH3+ 147:sc= 1.19 (180deg=-0.613!) USER MOD Single : A 98 LYS NZ :NH3+ -141:sc= -1.21 (180deg=-3.41!) USER MOD Single : A 99 LYS NZ :NH3+ -167:sc= -0.0359 (180deg=-0.228) USER MOD Single : A 103 LYS NZ :NH3+ -162:sc= 1.14 (180deg=0.749) USER MOD Single : A 106 HIS : no HD1:sc= -0.249 X(o=-0.25,f=0.023) USER MOD Single : A 107 HIS : no HD1:sc= 0.563 K(o=0.56,f=-5.5!) USER MOD Single : A 108 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.0081) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 110 HIS : no HD1:sc= -0.0854 X(o=-0.085,f=-0.13) USER MOD Single : A 111 HIS : no HD1:sc= -0.365 X(o=-0.37,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 79.088 -11.866 -4.541 1.00 0.00 N ATOM 2 CA MET A 1 79.769 -10.588 -4.844 1.00 0.00 C ATOM 3 C MET A 1 81.152 -10.840 -5.430 1.00 0.00 C ATOM 4 O MET A 1 81.977 -11.530 -4.832 1.00 0.00 O ATOM 5 CB MET A 1 79.871 -9.731 -3.571 1.00 0.00 C ATOM 6 CG MET A 1 80.462 -8.340 -3.777 1.00 0.00 C ATOM 7 SD MET A 1 82.259 -8.343 -3.960 1.00 0.00 S ATOM 8 CE MET A 1 82.763 -9.095 -2.414 1.00 0.00 C ATOM 0 H1 MET A 1 78.147 -11.672 -4.143 1.00 0.00 H new ATOM 0 H2 MET A 1 78.986 -12.421 -5.415 1.00 0.00 H new ATOM 0 H3 MET A 1 79.651 -12.405 -3.852 1.00 0.00 H new ATOM 0 HA MET A 1 79.181 -10.048 -5.585 1.00 0.00 H new ATOM 0 HB2 MET A 1 78.875 -9.626 -3.141 1.00 0.00 H new ATOM 0 HB3 MET A 1 80.480 -10.264 -2.840 1.00 0.00 H new ATOM 0 HG2 MET A 1 80.015 -7.891 -4.664 1.00 0.00 H new ATOM 0 HG3 MET A 1 80.192 -7.710 -2.930 1.00 0.00 H new ATOM 0 HE1 MET A 1 83.639 -8.576 -2.025 1.00 0.00 H new ATOM 0 HE2 MET A 1 81.949 -9.024 -1.693 1.00 0.00 H new ATOM 0 HE3 MET A 1 83.008 -10.144 -2.582 1.00 0.00 H new ATOM 20 N ASN A 2 81.388 -10.290 -6.610 1.00 0.00 N ATOM 21 CA ASN A 2 82.704 -10.324 -7.233 1.00 0.00 C ATOM 22 C ASN A 2 83.099 -8.908 -7.607 1.00 0.00 C ATOM 23 O ASN A 2 82.338 -7.971 -7.345 1.00 0.00 O ATOM 24 CB ASN A 2 82.704 -11.213 -8.482 1.00 0.00 C ATOM 25 CG ASN A 2 82.436 -12.672 -8.174 1.00 0.00 C ATOM 26 OD1 ASN A 2 83.351 -13.433 -7.867 1.00 0.00 O ATOM 27 ND2 ASN A 2 81.181 -13.078 -8.277 1.00 0.00 N ATOM 0 H ASN A 2 80.678 -9.809 -7.162 1.00 0.00 H new ATOM 0 HA ASN A 2 83.421 -10.744 -6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 2 81.948 -10.850 -9.179 1.00 0.00 H new ATOM 0 HB3 ASN A 2 83.668 -11.125 -8.983 1.00 0.00 H new ATOM 0 HD21 ASN A 2 80.945 -14.054 -8.099 1.00 0.00 H new ATOM 0 HD22 ASN A 2 80.450 -12.415 -8.534 1.00 0.00 H new ATOM 34 N SER A 3 84.261 -8.743 -8.226 1.00 0.00 N ATOM 35 CA SER A 3 84.702 -7.424 -8.666 1.00 0.00 C ATOM 36 C SER A 3 83.669 -6.793 -9.603 1.00 0.00 C ATOM 37 O SER A 3 83.496 -5.576 -9.620 1.00 0.00 O ATOM 38 CB SER A 3 86.067 -7.514 -9.351 1.00 0.00 C ATOM 39 OG SER A 3 86.068 -8.492 -10.374 1.00 0.00 O ATOM 0 H SER A 3 84.912 -9.500 -8.434 1.00 0.00 H new ATOM 0 HA SER A 3 84.800 -6.786 -7.788 1.00 0.00 H new ATOM 0 HB2 SER A 3 86.329 -6.544 -9.773 1.00 0.00 H new ATOM 0 HB3 SER A 3 86.831 -7.757 -8.613 1.00 0.00 H new ATOM 0 HG SER A 3 86.269 -9.370 -9.987 1.00 0.00 H new ATOM 45 N GLU A 4 82.973 -7.638 -10.363 1.00 0.00 N ATOM 46 CA GLU A 4 81.892 -7.196 -11.242 1.00 0.00 C ATOM 47 C GLU A 4 80.819 -6.442 -10.454 1.00 0.00 C ATOM 48 O GLU A 4 80.456 -5.317 -10.801 1.00 0.00 O ATOM 49 CB GLU A 4 81.265 -8.405 -11.939 1.00 0.00 C ATOM 50 CG GLU A 4 80.055 -8.068 -12.794 1.00 0.00 C ATOM 51 CD GLU A 4 79.386 -9.303 -13.357 1.00 0.00 C ATOM 52 OE1 GLU A 4 78.614 -9.955 -12.621 1.00 0.00 O ATOM 53 OE2 GLU A 4 79.629 -9.629 -14.537 1.00 0.00 O ATOM 0 H GLU A 4 83.142 -8.644 -10.387 1.00 0.00 H new ATOM 0 HA GLU A 4 82.311 -6.520 -11.987 1.00 0.00 H new ATOM 0 HB2 GLU A 4 82.019 -8.881 -12.566 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.972 -9.135 -11.184 1.00 0.00 H new ATOM 0 HG2 GLU A 4 79.335 -7.509 -12.196 1.00 0.00 H new ATOM 0 HG3 GLU A 4 80.362 -7.418 -13.614 1.00 0.00 H new ATOM 60 N VAL A 5 80.330 -7.068 -9.389 1.00 0.00 N ATOM 61 CA VAL A 5 79.294 -6.473 -8.548 1.00 0.00 C ATOM 62 C VAL A 5 79.780 -5.161 -7.942 1.00 0.00 C ATOM 63 O VAL A 5 79.044 -4.173 -7.900 1.00 0.00 O ATOM 64 CB VAL A 5 78.865 -7.432 -7.418 1.00 0.00 C ATOM 65 CG1 VAL A 5 77.771 -6.809 -6.563 1.00 0.00 C ATOM 66 CG2 VAL A 5 78.399 -8.760 -7.993 1.00 0.00 C ATOM 0 H VAL A 5 80.636 -7.993 -9.085 1.00 0.00 H new ATOM 0 HA VAL A 5 78.431 -6.279 -9.186 1.00 0.00 H new ATOM 0 HB VAL A 5 79.731 -7.614 -6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 5 77.486 -7.504 -5.774 1.00 0.00 H new ATOM 0 HG12 VAL A 5 78.139 -5.885 -6.117 1.00 0.00 H new ATOM 0 HG13 VAL A 5 76.903 -6.591 -7.185 1.00 0.00 H new ATOM 0 HG21 VAL A 5 78.101 -9.423 -7.181 1.00 0.00 H new ATOM 0 HG22 VAL A 5 77.550 -8.592 -8.655 1.00 0.00 H new ATOM 0 HG23 VAL A 5 79.212 -9.218 -8.556 1.00 0.00 H new ATOM 76 N ILE A 6 81.022 -5.164 -7.468 1.00 0.00 N ATOM 77 CA ILE A 6 81.655 -3.947 -6.965 1.00 0.00 C ATOM 78 C ILE A 6 81.579 -2.824 -8.002 1.00 0.00 C ATOM 79 O ILE A 6 81.229 -1.689 -7.676 1.00 0.00 O ATOM 80 CB ILE A 6 83.134 -4.191 -6.589 1.00 0.00 C ATOM 81 CG1 ILE A 6 83.240 -5.306 -5.547 1.00 0.00 C ATOM 82 CG2 ILE A 6 83.771 -2.909 -6.065 1.00 0.00 C ATOM 83 CD1 ILE A 6 84.664 -5.660 -5.177 1.00 0.00 C ATOM 0 H ILE A 6 81.611 -5.995 -7.421 1.00 0.00 H new ATOM 0 HA ILE A 6 81.109 -3.651 -6.069 1.00 0.00 H new ATOM 0 HB ILE A 6 83.672 -4.500 -7.485 1.00 0.00 H new ATOM 0 HG12 ILE A 6 82.705 -5.002 -4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 6 82.741 -6.197 -5.929 1.00 0.00 H new ATOM 0 HG21 ILE A 6 84.812 -3.100 -5.805 1.00 0.00 H new ATOM 0 HG22 ILE A 6 83.724 -2.139 -6.835 1.00 0.00 H new ATOM 0 HG23 ILE A 6 83.232 -2.571 -5.180 1.00 0.00 H new ATOM 0 HD11 ILE A 6 84.659 -6.457 -4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 6 85.198 -5.995 -6.066 1.00 0.00 H new ATOM 0 HD13 ILE A 6 85.162 -4.782 -4.764 1.00 0.00 H new ATOM 95 N LYS A 7 81.886 -3.151 -9.255 1.00 0.00 N ATOM 96 CA LYS A 7 81.856 -2.168 -10.335 1.00 0.00 C ATOM 97 C LYS A 7 80.448 -1.619 -10.534 1.00 0.00 C ATOM 98 O LYS A 7 80.269 -0.419 -10.731 1.00 0.00 O ATOM 99 CB LYS A 7 82.374 -2.775 -11.641 1.00 0.00 C ATOM 100 CG LYS A 7 83.814 -3.250 -11.550 1.00 0.00 C ATOM 101 CD LYS A 7 84.329 -3.756 -12.885 1.00 0.00 C ATOM 102 CE LYS A 7 85.748 -4.280 -12.755 1.00 0.00 C ATOM 103 NZ LYS A 7 86.374 -4.549 -14.074 1.00 0.00 N ATOM 0 H LYS A 7 82.158 -4.089 -9.548 1.00 0.00 H new ATOM 0 HA LYS A 7 82.511 -1.345 -10.051 1.00 0.00 H new ATOM 0 HB2 LYS A 7 81.738 -3.615 -11.921 1.00 0.00 H new ATOM 0 HB3 LYS A 7 82.292 -2.034 -12.436 1.00 0.00 H new ATOM 0 HG2 LYS A 7 84.445 -2.431 -11.204 1.00 0.00 H new ATOM 0 HG3 LYS A 7 83.888 -4.045 -10.808 1.00 0.00 H new ATOM 0 HD2 LYS A 7 83.677 -4.548 -13.254 1.00 0.00 H new ATOM 0 HD3 LYS A 7 84.300 -2.951 -13.619 1.00 0.00 H new ATOM 0 HE2 LYS A 7 86.352 -3.554 -12.210 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.742 -5.197 -12.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 87.243 -5.104 -13.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.711 -5.084 -14.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.607 -3.648 -14.538 1.00 0.00 H new ATOM 117 N GLU A 8 79.453 -2.500 -10.471 1.00 0.00 N ATOM 118 CA GLU A 8 78.057 -2.083 -10.582 1.00 0.00 C ATOM 119 C GLU A 8 77.708 -1.079 -9.489 1.00 0.00 C ATOM 120 O GLU A 8 77.028 -0.082 -9.737 1.00 0.00 O ATOM 121 CB GLU A 8 77.119 -3.282 -10.477 1.00 0.00 C ATOM 122 CG GLU A 8 77.243 -4.273 -11.619 1.00 0.00 C ATOM 123 CD GLU A 8 76.194 -5.361 -11.537 1.00 0.00 C ATOM 124 OE1 GLU A 8 75.035 -5.100 -11.921 1.00 0.00 O ATOM 125 OE2 GLU A 8 76.509 -6.468 -11.060 1.00 0.00 O ATOM 0 H GLU A 8 79.586 -3.503 -10.344 1.00 0.00 H new ATOM 0 HA GLU A 8 77.930 -1.615 -11.558 1.00 0.00 H new ATOM 0 HB2 GLU A 8 77.315 -3.801 -9.538 1.00 0.00 H new ATOM 0 HB3 GLU A 8 76.091 -2.922 -10.434 1.00 0.00 H new ATOM 0 HG2 GLU A 8 77.147 -3.747 -12.569 1.00 0.00 H new ATOM 0 HG3 GLU A 8 78.235 -4.723 -11.603 1.00 0.00 H new ATOM 132 N PHE A 9 78.177 -1.359 -8.281 1.00 0.00 N ATOM 133 CA PHE A 9 77.936 -0.495 -7.132 1.00 0.00 C ATOM 134 C PHE A 9 78.622 0.856 -7.328 1.00 0.00 C ATOM 135 O PHE A 9 78.034 1.906 -7.072 1.00 0.00 O ATOM 136 CB PHE A 9 78.443 -1.180 -5.858 1.00 0.00 C ATOM 137 CG PHE A 9 78.179 -0.417 -4.589 1.00 0.00 C ATOM 138 CD1 PHE A 9 76.883 -0.237 -4.129 1.00 0.00 C ATOM 139 CD2 PHE A 9 79.227 0.103 -3.846 1.00 0.00 C ATOM 140 CE1 PHE A 9 76.640 0.447 -2.954 1.00 0.00 C ATOM 141 CE2 PHE A 9 78.989 0.789 -2.672 1.00 0.00 C ATOM 142 CZ PHE A 9 77.693 0.961 -2.224 1.00 0.00 C ATOM 0 H PHE A 9 78.733 -2.188 -8.069 1.00 0.00 H new ATOM 0 HA PHE A 9 76.865 -0.319 -7.035 1.00 0.00 H new ATOM 0 HB2 PHE A 9 77.977 -2.162 -5.779 1.00 0.00 H new ATOM 0 HB3 PHE A 9 79.517 -1.343 -5.952 1.00 0.00 H new ATOM 0 HD1 PHE A 9 76.055 -0.636 -4.696 1.00 0.00 H new ATOM 0 HD2 PHE A 9 80.242 -0.030 -4.190 1.00 0.00 H new ATOM 0 HE1 PHE A 9 75.626 0.580 -2.606 1.00 0.00 H new ATOM 0 HE2 PHE A 9 79.815 1.191 -2.104 1.00 0.00 H new ATOM 0 HZ PHE A 9 77.504 1.496 -1.305 1.00 0.00 H new ATOM 152 N LEU A 10 79.860 0.817 -7.804 1.00 0.00 N ATOM 153 CA LEU A 10 80.629 2.034 -8.046 1.00 0.00 C ATOM 154 C LEU A 10 79.995 2.870 -9.153 1.00 0.00 C ATOM 155 O LEU A 10 79.956 4.098 -9.067 1.00 0.00 O ATOM 156 CB LEU A 10 82.070 1.681 -8.415 1.00 0.00 C ATOM 157 CG LEU A 10 82.843 0.918 -7.338 1.00 0.00 C ATOM 158 CD1 LEU A 10 84.185 0.454 -7.875 1.00 0.00 C ATOM 159 CD2 LEU A 10 83.036 1.785 -6.103 1.00 0.00 C ATOM 0 H LEU A 10 80.355 -0.045 -8.031 1.00 0.00 H new ATOM 0 HA LEU A 10 80.629 2.624 -7.130 1.00 0.00 H new ATOM 0 HB2 LEU A 10 82.060 1.083 -9.326 1.00 0.00 H new ATOM 0 HB3 LEU A 10 82.607 2.602 -8.643 1.00 0.00 H new ATOM 0 HG LEU A 10 82.262 0.040 -7.055 1.00 0.00 H new ATOM 0 HD11 LEU A 10 84.721 -0.087 -7.095 1.00 0.00 H new ATOM 0 HD12 LEU A 10 84.027 -0.203 -8.730 1.00 0.00 H new ATOM 0 HD13 LEU A 10 84.771 1.319 -8.186 1.00 0.00 H new ATOM 0 HD21 LEU A 10 83.588 1.225 -5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 10 83.596 2.681 -6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 10 82.063 2.071 -5.704 1.00 0.00 H new ATOM 171 N GLU A 11 79.499 2.201 -10.186 1.00 0.00 N ATOM 172 CA GLU A 11 78.844 2.878 -11.299 1.00 0.00 C ATOM 173 C GLU A 11 77.535 3.513 -10.840 1.00 0.00 C ATOM 174 O GLU A 11 77.206 4.635 -11.233 1.00 0.00 O ATOM 175 CB GLU A 11 78.582 1.892 -12.441 1.00 0.00 C ATOM 176 CG GLU A 11 77.957 2.535 -13.668 1.00 0.00 C ATOM 177 CD GLU A 11 77.664 1.533 -14.762 1.00 0.00 C ATOM 178 OE1 GLU A 11 76.626 0.849 -14.684 1.00 0.00 O ATOM 179 OE2 GLU A 11 78.472 1.424 -15.711 1.00 0.00 O ATOM 0 H GLU A 11 79.538 1.186 -10.277 1.00 0.00 H new ATOM 0 HA GLU A 11 79.504 3.666 -11.662 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.523 1.422 -12.727 1.00 0.00 H new ATOM 0 HB3 GLU A 11 77.925 1.099 -12.082 1.00 0.00 H new ATOM 0 HG2 GLU A 11 77.032 3.035 -13.381 1.00 0.00 H new ATOM 0 HG3 GLU A 11 78.628 3.303 -14.053 1.00 0.00 H new ATOM 186 N ASP A 12 76.801 2.793 -9.999 1.00 0.00 N ATOM 187 CA ASP A 12 75.551 3.294 -9.432 1.00 0.00 C ATOM 188 C ASP A 12 75.793 4.566 -8.628 1.00 0.00 C ATOM 189 O ASP A 12 75.037 5.533 -8.730 1.00 0.00 O ATOM 190 CB ASP A 12 74.904 2.224 -8.549 1.00 0.00 C ATOM 191 CG ASP A 12 73.764 2.761 -7.705 1.00 0.00 C ATOM 192 OD1 ASP A 12 72.679 3.046 -8.255 1.00 0.00 O ATOM 193 OD2 ASP A 12 73.944 2.887 -6.478 1.00 0.00 O ATOM 0 H ASP A 12 77.051 1.853 -9.692 1.00 0.00 H new ATOM 0 HA ASP A 12 74.874 3.531 -10.252 1.00 0.00 H new ATOM 0 HB2 ASP A 12 74.532 1.416 -9.180 1.00 0.00 H new ATOM 0 HB3 ASP A 12 75.662 1.794 -7.894 1.00 0.00 H new ATOM 198 N ILE A 13 76.854 4.564 -7.833 1.00 0.00 N ATOM 199 CA ILE A 13 77.224 5.741 -7.063 1.00 0.00 C ATOM 200 C ILE A 13 77.750 6.842 -7.985 1.00 0.00 C ATOM 201 O ILE A 13 77.408 8.016 -7.830 1.00 0.00 O ATOM 202 CB ILE A 13 78.300 5.407 -6.004 1.00 0.00 C ATOM 203 CG1 ILE A 13 77.790 4.333 -5.040 1.00 0.00 C ATOM 204 CG2 ILE A 13 78.701 6.655 -5.233 1.00 0.00 C ATOM 205 CD1 ILE A 13 78.796 3.948 -3.978 1.00 0.00 C ATOM 0 H ILE A 13 77.472 3.762 -7.705 1.00 0.00 H new ATOM 0 HA ILE A 13 76.327 6.090 -6.552 1.00 0.00 H new ATOM 0 HB ILE A 13 79.178 5.023 -6.523 1.00 0.00 H new ATOM 0 HG12 ILE A 13 76.882 4.692 -4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 13 77.517 3.445 -5.610 1.00 0.00 H new ATOM 0 HG21 ILE A 13 79.459 6.398 -4.493 1.00 0.00 H new ATOM 0 HG22 ILE A 13 79.105 7.395 -5.924 1.00 0.00 H new ATOM 0 HG23 ILE A 13 77.827 7.068 -4.729 1.00 0.00 H new ATOM 0 HD11 ILE A 13 78.367 3.183 -3.331 1.00 0.00 H new ATOM 0 HD12 ILE A 13 79.696 3.558 -4.454 1.00 0.00 H new ATOM 0 HD13 ILE A 13 79.051 4.825 -3.383 1.00 0.00 H new ATOM 217 N GLY A 14 78.551 6.447 -8.961 1.00 0.00 N ATOM 218 CA GLY A 14 79.138 7.405 -9.880 1.00 0.00 C ATOM 219 C GLY A 14 80.552 7.773 -9.481 1.00 0.00 C ATOM 220 O GLY A 14 80.974 8.918 -9.641 1.00 0.00 O ATOM 0 H GLY A 14 78.808 5.475 -9.136 1.00 0.00 H new ATOM 0 HA2 GLY A 14 79.141 6.988 -10.887 1.00 0.00 H new ATOM 0 HA3 GLY A 14 78.523 8.304 -9.910 1.00 0.00 H new ATOM 224 N GLU A 15 81.277 6.797 -8.956 1.00 0.00 N ATOM 225 CA GLU A 15 82.641 7.015 -8.499 1.00 0.00 C ATOM 226 C GLU A 15 83.649 6.434 -9.477 1.00 0.00 C ATOM 227 O GLU A 15 83.281 5.817 -10.478 1.00 0.00 O ATOM 228 CB GLU A 15 82.846 6.400 -7.116 1.00 0.00 C ATOM 229 CG GLU A 15 82.293 7.250 -5.987 1.00 0.00 C ATOM 230 CD GLU A 15 83.018 8.576 -5.854 1.00 0.00 C ATOM 231 OE1 GLU A 15 84.151 8.697 -6.370 1.00 0.00 O ATOM 232 OE2 GLU A 15 82.465 9.502 -5.225 1.00 0.00 O ATOM 0 H GLU A 15 80.941 5.841 -8.835 1.00 0.00 H new ATOM 0 HA GLU A 15 82.802 8.091 -8.439 1.00 0.00 H new ATOM 0 HB2 GLU A 15 82.370 5.420 -7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 15 83.912 6.241 -6.952 1.00 0.00 H new ATOM 0 HG2 GLU A 15 81.233 7.434 -6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 15 82.372 6.700 -5.049 1.00 0.00 H new ATOM 239 N ASP A 16 84.922 6.633 -9.174 1.00 0.00 N ATOM 240 CA ASP A 16 86.002 6.166 -10.031 1.00 0.00 C ATOM 241 C ASP A 16 86.733 5.013 -9.363 1.00 0.00 C ATOM 242 O ASP A 16 86.802 4.943 -8.134 1.00 0.00 O ATOM 243 CB ASP A 16 87.000 7.295 -10.315 1.00 0.00 C ATOM 244 CG ASP A 16 86.347 8.552 -10.852 1.00 0.00 C ATOM 245 OD1 ASP A 16 86.157 8.653 -12.083 1.00 0.00 O ATOM 246 OD2 ASP A 16 86.041 9.454 -10.042 1.00 0.00 O ATOM 0 H ASP A 16 85.235 7.119 -8.334 1.00 0.00 H new ATOM 0 HA ASP A 16 85.566 5.833 -10.973 1.00 0.00 H new ATOM 0 HB2 ASP A 16 87.536 7.536 -9.397 1.00 0.00 H new ATOM 0 HB3 ASP A 16 87.741 6.944 -11.033 1.00 0.00 H new ATOM 251 N TYR A 17 87.277 4.113 -10.169 1.00 0.00 N ATOM 252 CA TYR A 17 88.059 3.003 -9.648 1.00 0.00 C ATOM 253 C TYR A 17 89.201 2.678 -10.602 1.00 0.00 C ATOM 254 O TYR A 17 89.055 2.794 -11.818 1.00 0.00 O ATOM 255 CB TYR A 17 87.181 1.762 -9.427 1.00 0.00 C ATOM 256 CG TYR A 17 86.743 1.054 -10.694 1.00 0.00 C ATOM 257 CD1 TYR A 17 85.615 1.463 -11.394 1.00 0.00 C ATOM 258 CD2 TYR A 17 87.459 -0.034 -11.181 1.00 0.00 C ATOM 259 CE1 TYR A 17 85.216 0.809 -12.546 1.00 0.00 C ATOM 260 CE2 TYR A 17 87.067 -0.690 -12.330 1.00 0.00 C ATOM 261 CZ TYR A 17 85.945 -0.266 -13.008 1.00 0.00 C ATOM 262 OH TYR A 17 85.551 -0.925 -14.150 1.00 0.00 O ATOM 0 H TYR A 17 87.191 4.130 -11.185 1.00 0.00 H new ATOM 0 HA TYR A 17 88.471 3.299 -8.683 1.00 0.00 H new ATOM 0 HB2 TYR A 17 87.728 1.055 -8.804 1.00 0.00 H new ATOM 0 HB3 TYR A 17 86.293 2.058 -8.869 1.00 0.00 H new ATOM 0 HD1 TYR A 17 85.041 2.304 -11.034 1.00 0.00 H new ATOM 0 HD2 TYR A 17 88.337 -0.372 -10.651 1.00 0.00 H new ATOM 0 HE1 TYR A 17 84.338 1.139 -13.081 1.00 0.00 H new ATOM 0 HE2 TYR A 17 87.637 -1.531 -12.696 1.00 0.00 H new ATOM 0 HH TYR A 17 86.175 -1.657 -14.337 1.00 0.00 H new ATOM 272 N ILE A 18 90.336 2.287 -10.048 1.00 0.00 N ATOM 273 CA ILE A 18 91.484 1.917 -10.858 1.00 0.00 C ATOM 274 C ILE A 18 91.772 0.429 -10.709 1.00 0.00 C ATOM 275 O ILE A 18 92.312 -0.014 -9.689 1.00 0.00 O ATOM 276 CB ILE A 18 92.736 2.737 -10.471 1.00 0.00 C ATOM 277 CG1 ILE A 18 92.444 4.236 -10.610 1.00 0.00 C ATOM 278 CG2 ILE A 18 93.926 2.339 -11.339 1.00 0.00 C ATOM 279 CD1 ILE A 18 93.586 5.127 -10.174 1.00 0.00 C ATOM 0 H ILE A 18 90.487 2.218 -9.042 1.00 0.00 H new ATOM 0 HA ILE A 18 91.244 2.137 -11.898 1.00 0.00 H new ATOM 0 HB ILE A 18 92.988 2.524 -9.432 1.00 0.00 H new ATOM 0 HG12 ILE A 18 92.203 4.454 -11.650 1.00 0.00 H new ATOM 0 HG13 ILE A 18 91.560 4.480 -10.020 1.00 0.00 H new ATOM 0 HG21 ILE A 18 94.798 2.927 -11.052 1.00 0.00 H new ATOM 0 HG22 ILE A 18 94.140 1.279 -11.199 1.00 0.00 H new ATOM 0 HG23 ILE A 18 93.691 2.526 -12.387 1.00 0.00 H new ATOM 0 HD11 ILE A 18 93.302 6.171 -10.303 1.00 0.00 H new ATOM 0 HD12 ILE A 18 93.814 4.939 -9.125 1.00 0.00 H new ATOM 0 HD13 ILE A 18 94.466 4.913 -10.780 1.00 0.00 H new ATOM 291 N GLU A 19 91.383 -0.343 -11.713 1.00 0.00 N ATOM 292 CA GLU A 19 91.579 -1.782 -11.679 1.00 0.00 C ATOM 293 C GLU A 19 92.902 -2.165 -12.331 1.00 0.00 C ATOM 294 O GLU A 19 93.247 -1.681 -13.411 1.00 0.00 O ATOM 295 CB GLU A 19 90.415 -2.510 -12.363 1.00 0.00 C ATOM 296 CG GLU A 19 90.545 -4.026 -12.324 1.00 0.00 C ATOM 297 CD GLU A 19 89.315 -4.744 -12.842 1.00 0.00 C ATOM 298 OE1 GLU A 19 89.113 -4.791 -14.074 1.00 0.00 O ATOM 299 OE2 GLU A 19 88.543 -5.277 -12.022 1.00 0.00 O ATOM 0 H GLU A 19 90.931 0.003 -12.559 1.00 0.00 H new ATOM 0 HA GLU A 19 91.609 -2.090 -10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 19 89.481 -2.220 -11.881 1.00 0.00 H new ATOM 0 HB3 GLU A 19 90.352 -2.185 -13.401 1.00 0.00 H new ATOM 0 HG2 GLU A 19 91.409 -4.325 -12.917 1.00 0.00 H new ATOM 0 HG3 GLU A 19 90.737 -4.342 -11.299 1.00 0.00 H new ATOM 306 N LEU A 20 93.635 -3.022 -11.646 1.00 0.00 N ATOM 307 CA LEU A 20 94.903 -3.539 -12.125 1.00 0.00 C ATOM 308 C LEU A 20 94.816 -5.056 -12.202 1.00 0.00 C ATOM 309 O LEU A 20 93.718 -5.618 -12.193 1.00 0.00 O ATOM 310 CB LEU A 20 96.033 -3.122 -11.178 1.00 0.00 C ATOM 311 CG LEU A 20 96.221 -1.614 -11.005 1.00 0.00 C ATOM 312 CD1 LEU A 20 97.304 -1.330 -9.977 1.00 0.00 C ATOM 313 CD2 LEU A 20 96.565 -0.962 -12.335 1.00 0.00 C ATOM 0 H LEU A 20 93.364 -3.383 -10.731 1.00 0.00 H new ATOM 0 HA LEU A 20 95.116 -3.133 -13.114 1.00 0.00 H new ATOM 0 HB2 LEU A 20 95.845 -3.562 -10.199 1.00 0.00 H new ATOM 0 HB3 LEU A 20 96.967 -3.548 -11.545 1.00 0.00 H new ATOM 0 HG LEU A 20 95.283 -1.188 -10.647 1.00 0.00 H new ATOM 0 HD11 LEU A 20 97.426 -0.253 -9.865 1.00 0.00 H new ATOM 0 HD12 LEU A 20 97.019 -1.764 -9.019 1.00 0.00 H new ATOM 0 HD13 LEU A 20 98.245 -1.769 -10.309 1.00 0.00 H new ATOM 0 HD21 LEU A 20 96.695 0.111 -12.192 1.00 0.00 H new ATOM 0 HD22 LEU A 20 97.489 -1.391 -12.722 1.00 0.00 H new ATOM 0 HD23 LEU A 20 95.758 -1.138 -13.046 1.00 0.00 H new ATOM 325 N GLU A 21 95.956 -5.726 -12.266 1.00 0.00 N ATOM 326 CA GLU A 21 95.967 -7.178 -12.293 1.00 0.00 C ATOM 327 C GLU A 21 95.583 -7.737 -10.930 1.00 0.00 C ATOM 328 O GLU A 21 96.387 -7.724 -9.996 1.00 0.00 O ATOM 329 CB GLU A 21 97.335 -7.708 -12.716 1.00 0.00 C ATOM 330 CG GLU A 21 97.719 -7.329 -14.134 1.00 0.00 C ATOM 331 CD GLU A 21 99.048 -7.920 -14.549 1.00 0.00 C ATOM 332 OE1 GLU A 21 99.062 -9.069 -15.032 1.00 0.00 O ATOM 333 OE2 GLU A 21 100.080 -7.235 -14.390 1.00 0.00 O ATOM 0 H GLU A 21 96.878 -5.291 -12.300 1.00 0.00 H new ATOM 0 HA GLU A 21 95.233 -7.508 -13.028 1.00 0.00 H new ATOM 0 HB2 GLU A 21 98.091 -7.328 -12.029 1.00 0.00 H new ATOM 0 HB3 GLU A 21 97.339 -8.794 -12.625 1.00 0.00 H new ATOM 0 HG2 GLU A 21 96.943 -7.668 -14.821 1.00 0.00 H new ATOM 0 HG3 GLU A 21 97.766 -6.243 -14.217 1.00 0.00 H new ATOM 340 N ASN A 22 94.333 -8.184 -10.824 1.00 0.00 N ATOM 341 CA ASN A 22 93.806 -8.799 -9.601 1.00 0.00 C ATOM 342 C ASN A 22 93.707 -7.782 -8.466 1.00 0.00 C ATOM 343 O ASN A 22 93.628 -8.151 -7.296 1.00 0.00 O ATOM 344 CB ASN A 22 94.674 -9.992 -9.171 1.00 0.00 C ATOM 345 CG ASN A 22 94.611 -11.154 -10.148 1.00 0.00 C ATOM 346 OD1 ASN A 22 94.389 -10.972 -11.347 1.00 0.00 O ATOM 347 ND2 ASN A 22 94.822 -12.359 -9.646 1.00 0.00 N ATOM 0 H ASN A 22 93.654 -8.131 -11.583 1.00 0.00 H new ATOM 0 HA ASN A 22 92.802 -9.160 -9.822 1.00 0.00 H new ATOM 0 HB2 ASN A 22 95.709 -9.664 -9.071 1.00 0.00 H new ATOM 0 HB3 ASN A 22 94.351 -10.333 -8.187 1.00 0.00 H new ATOM 0 HD21 ASN A 22 94.804 -13.176 -10.256 1.00 0.00 H new ATOM 0 HD22 ASN A 22 95.003 -12.471 -8.648 1.00 0.00 H new ATOM 354 N GLU A 23 93.683 -6.504 -8.820 1.00 0.00 N ATOM 355 CA GLU A 23 93.588 -5.436 -7.831 1.00 0.00 C ATOM 356 C GLU A 23 92.605 -4.365 -8.269 1.00 0.00 C ATOM 357 O GLU A 23 92.570 -3.985 -9.434 1.00 0.00 O ATOM 358 CB GLU A 23 94.952 -4.783 -7.599 1.00 0.00 C ATOM 359 CG GLU A 23 95.899 -5.597 -6.740 1.00 0.00 C ATOM 360 CD GLU A 23 97.215 -4.886 -6.513 1.00 0.00 C ATOM 361 OE1 GLU A 23 97.210 -3.781 -5.925 1.00 0.00 O ATOM 362 OE2 GLU A 23 98.264 -5.434 -6.907 1.00 0.00 O ATOM 0 H GLU A 23 93.728 -6.180 -9.786 1.00 0.00 H new ATOM 0 HA GLU A 23 93.237 -5.891 -6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 23 95.423 -4.601 -8.565 1.00 0.00 H new ATOM 0 HB3 GLU A 23 94.801 -3.811 -7.130 1.00 0.00 H new ATOM 0 HG2 GLU A 23 95.429 -5.804 -5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 23 96.085 -6.559 -7.218 1.00 0.00 H new ATOM 369 N ILE A 24 91.813 -3.880 -7.331 1.00 0.00 N ATOM 370 CA ILE A 24 90.970 -2.720 -7.569 1.00 0.00 C ATOM 371 C ILE A 24 91.297 -1.644 -6.546 1.00 0.00 C ATOM 372 O ILE A 24 91.075 -1.825 -5.352 1.00 0.00 O ATOM 373 CB ILE A 24 89.461 -3.053 -7.504 1.00 0.00 C ATOM 374 CG1 ILE A 24 89.068 -3.988 -8.651 1.00 0.00 C ATOM 375 CG2 ILE A 24 88.629 -1.777 -7.555 1.00 0.00 C ATOM 376 CD1 ILE A 24 87.598 -4.352 -8.663 1.00 0.00 C ATOM 0 H ILE A 24 91.735 -4.272 -6.393 1.00 0.00 H new ATOM 0 HA ILE A 24 91.178 -2.369 -8.580 1.00 0.00 H new ATOM 0 HB ILE A 24 89.263 -3.559 -6.559 1.00 0.00 H new ATOM 0 HG12 ILE A 24 89.324 -3.514 -9.599 1.00 0.00 H new ATOM 0 HG13 ILE A 24 89.659 -4.901 -8.582 1.00 0.00 H new ATOM 0 HG21 ILE A 24 87.570 -2.031 -7.508 1.00 0.00 H new ATOM 0 HG22 ILE A 24 88.887 -1.140 -6.709 1.00 0.00 H new ATOM 0 HG23 ILE A 24 88.834 -1.246 -8.485 1.00 0.00 H new ATOM 0 HD11 ILE A 24 87.394 -5.016 -9.503 1.00 0.00 H new ATOM 0 HD12 ILE A 24 87.340 -4.856 -7.731 1.00 0.00 H new ATOM 0 HD13 ILE A 24 87.000 -3.446 -8.763 1.00 0.00 H new ATOM 388 N HIS A 25 91.857 -0.544 -7.013 1.00 0.00 N ATOM 389 CA HIS A 25 92.227 0.547 -6.130 1.00 0.00 C ATOM 390 C HIS A 25 91.128 1.596 -6.101 1.00 0.00 C ATOM 391 O HIS A 25 90.725 2.117 -7.143 1.00 0.00 O ATOM 392 CB HIS A 25 93.561 1.163 -6.557 1.00 0.00 C ATOM 393 CG HIS A 25 94.745 0.299 -6.239 1.00 0.00 C ATOM 394 ND1 HIS A 25 95.797 0.726 -5.462 1.00 0.00 N ATOM 395 CD2 HIS A 25 95.038 -0.978 -6.593 1.00 0.00 C ATOM 396 CE1 HIS A 25 96.685 -0.246 -5.348 1.00 0.00 C ATOM 397 NE2 HIS A 25 96.249 -1.291 -6.027 1.00 0.00 N ATOM 0 H HIS A 25 92.066 -0.382 -7.998 1.00 0.00 H new ATOM 0 HA HIS A 25 92.350 0.151 -5.122 1.00 0.00 H new ATOM 0 HB2 HIS A 25 93.538 1.354 -7.630 1.00 0.00 H new ATOM 0 HB3 HIS A 25 93.682 2.128 -6.064 1.00 0.00 H new ATOM 0 HD2 HIS A 25 94.431 -1.628 -7.206 1.00 0.00 H new ATOM 0 HE1 HIS A 25 97.610 -0.194 -4.794 1.00 0.00 H new ATOM 0 HE2 HIS A 25 96.733 -2.185 -6.116 1.00 0.00 H new ATOM 406 N LEU A 26 90.639 1.885 -4.904 1.00 0.00 N ATOM 407 CA LEU A 26 89.524 2.802 -4.729 1.00 0.00 C ATOM 408 C LEU A 26 89.948 4.051 -3.971 1.00 0.00 C ATOM 409 O LEU A 26 91.098 4.181 -3.548 1.00 0.00 O ATOM 410 CB LEU A 26 88.383 2.119 -3.967 1.00 0.00 C ATOM 411 CG LEU A 26 87.727 0.939 -4.682 1.00 0.00 C ATOM 412 CD1 LEU A 26 86.644 0.328 -3.810 1.00 0.00 C ATOM 413 CD2 LEU A 26 87.148 1.385 -6.012 1.00 0.00 C ATOM 0 H LEU A 26 91.001 1.494 -4.034 1.00 0.00 H new ATOM 0 HA LEU A 26 89.182 3.092 -5.723 1.00 0.00 H new ATOM 0 HB2 LEU A 26 88.767 1.772 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 26 87.616 2.863 -3.753 1.00 0.00 H new ATOM 0 HG LEU A 26 88.487 0.181 -4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 26 86.186 -0.511 -4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 26 87.083 -0.023 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 26 85.884 1.079 -3.594 1.00 0.00 H new ATOM 0 HD21 LEU A 26 86.684 0.534 -6.510 1.00 0.00 H new ATOM 0 HD22 LEU A 26 86.399 2.159 -5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 26 87.945 1.783 -6.640 1.00 0.00 H new ATOM 425 N LYS A 27 89.004 4.965 -3.811 1.00 0.00 N ATOM 426 CA LYS A 27 89.212 6.157 -3.006 1.00 0.00 C ATOM 427 C LYS A 27 88.873 5.839 -1.555 1.00 0.00 C ATOM 428 O LYS A 27 87.876 5.170 -1.293 1.00 0.00 O ATOM 429 CB LYS A 27 88.320 7.293 -3.508 1.00 0.00 C ATOM 430 CG LYS A 27 88.432 7.551 -5.000 1.00 0.00 C ATOM 431 CD LYS A 27 87.420 8.587 -5.452 1.00 0.00 C ATOM 432 CE LYS A 27 87.417 8.749 -6.962 1.00 0.00 C ATOM 433 NZ LYS A 27 86.375 9.709 -7.407 1.00 0.00 N ATOM 0 H LYS A 27 88.078 4.902 -4.233 1.00 0.00 H new ATOM 0 HA LYS A 27 90.253 6.471 -3.083 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.283 7.061 -3.266 1.00 0.00 H new ATOM 0 HB3 LYS A 27 88.576 8.207 -2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 27 89.439 7.893 -5.239 1.00 0.00 H new ATOM 0 HG3 LYS A 27 88.274 6.621 -5.546 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.425 8.295 -5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 27 87.646 9.545 -4.984 1.00 0.00 H new ATOM 0 HE2 LYS A 27 88.396 9.095 -7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 27 87.245 7.781 -7.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 86.238 9.621 -8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 85.480 9.501 -6.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 86.676 10.678 -7.180 1.00 0.00 H new ATOM 447 N PRO A 28 89.685 6.314 -0.597 1.00 0.00 N ATOM 448 CA PRO A 28 89.492 6.022 0.832 1.00 0.00 C ATOM 449 C PRO A 28 88.078 6.335 1.323 1.00 0.00 C ATOM 450 O PRO A 28 87.510 5.594 2.124 1.00 0.00 O ATOM 451 CB PRO A 28 90.513 6.933 1.520 1.00 0.00 C ATOM 452 CG PRO A 28 91.573 7.154 0.497 1.00 0.00 C ATOM 453 CD PRO A 28 90.868 7.166 -0.831 1.00 0.00 C ATOM 0 HA PRO A 28 89.627 4.962 1.046 1.00 0.00 H new ATOM 0 HB2 PRO A 28 90.059 7.874 1.829 1.00 0.00 H new ATOM 0 HB3 PRO A 28 90.920 6.466 2.417 1.00 0.00 H new ATOM 0 HG2 PRO A 28 92.094 8.096 0.671 1.00 0.00 H new ATOM 0 HG3 PRO A 28 92.323 6.364 0.534 1.00 0.00 H new ATOM 0 HD2 PRO A 28 90.584 8.176 -1.126 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.500 6.768 -1.625 1.00 0.00 H new ATOM 461 N GLU A 29 87.509 7.423 0.817 1.00 0.00 N ATOM 462 CA GLU A 29 86.189 7.869 1.244 1.00 0.00 C ATOM 463 C GLU A 29 85.093 6.966 0.674 1.00 0.00 C ATOM 464 O GLU A 29 84.045 6.775 1.293 1.00 0.00 O ATOM 465 CB GLU A 29 85.977 9.325 0.817 1.00 0.00 C ATOM 466 CG GLU A 29 84.672 9.931 1.303 1.00 0.00 C ATOM 467 CD GLU A 29 84.654 11.438 1.168 1.00 0.00 C ATOM 468 OE1 GLU A 29 84.437 11.942 0.044 1.00 0.00 O ATOM 469 OE2 GLU A 29 84.864 12.128 2.191 1.00 0.00 O ATOM 0 H GLU A 29 87.943 8.014 0.108 1.00 0.00 H new ATOM 0 HA GLU A 29 86.130 7.807 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 29 86.806 9.926 1.191 1.00 0.00 H new ATOM 0 HB3 GLU A 29 86.008 9.381 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 29 83.844 9.508 0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 29 84.514 9.660 2.347 1.00 0.00 H new ATOM 476 N VAL A 30 85.354 6.392 -0.492 1.00 0.00 N ATOM 477 CA VAL A 30 84.397 5.502 -1.137 1.00 0.00 C ATOM 478 C VAL A 30 84.544 4.088 -0.589 1.00 0.00 C ATOM 479 O VAL A 30 83.557 3.381 -0.370 1.00 0.00 O ATOM 480 CB VAL A 30 84.594 5.477 -2.668 1.00 0.00 C ATOM 481 CG1 VAL A 30 83.494 4.672 -3.346 1.00 0.00 C ATOM 482 CG2 VAL A 30 84.651 6.892 -3.223 1.00 0.00 C ATOM 0 H VAL A 30 86.221 6.526 -1.012 1.00 0.00 H new ATOM 0 HA VAL A 30 83.398 5.880 -0.922 1.00 0.00 H new ATOM 0 HB VAL A 30 85.545 4.988 -2.880 1.00 0.00 H new ATOM 0 HG11 VAL A 30 83.656 4.670 -4.424 1.00 0.00 H new ATOM 0 HG12 VAL A 30 83.511 3.647 -2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 30 82.526 5.121 -3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 30 84.790 6.854 -4.303 1.00 0.00 H new ATOM 0 HG22 VAL A 30 83.719 7.410 -2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 30 85.484 7.428 -2.769 1.00 0.00 H new ATOM 492 N PHE A 31 85.790 3.698 -0.347 1.00 0.00 N ATOM 493 CA PHE A 31 86.111 2.378 0.184 1.00 0.00 C ATOM 494 C PHE A 31 85.406 2.143 1.513 1.00 0.00 C ATOM 495 O PHE A 31 85.057 1.014 1.843 1.00 0.00 O ATOM 496 CB PHE A 31 87.626 2.244 0.355 1.00 0.00 C ATOM 497 CG PHE A 31 88.070 0.905 0.880 1.00 0.00 C ATOM 498 CD1 PHE A 31 88.018 -0.222 0.075 1.00 0.00 C ATOM 499 CD2 PHE A 31 88.541 0.776 2.176 1.00 0.00 C ATOM 500 CE1 PHE A 31 88.428 -1.450 0.556 1.00 0.00 C ATOM 501 CE2 PHE A 31 88.952 -0.451 2.662 1.00 0.00 C ATOM 502 CZ PHE A 31 88.896 -1.565 1.850 1.00 0.00 C ATOM 0 H PHE A 31 86.606 4.287 -0.513 1.00 0.00 H new ATOM 0 HA PHE A 31 85.762 1.624 -0.522 1.00 0.00 H new ATOM 0 HB2 PHE A 31 88.106 2.422 -0.607 1.00 0.00 H new ATOM 0 HB3 PHE A 31 87.974 3.022 1.034 1.00 0.00 H new ATOM 0 HD1 PHE A 31 87.653 -0.139 -0.938 1.00 0.00 H new ATOM 0 HD2 PHE A 31 88.588 1.645 2.815 1.00 0.00 H new ATOM 0 HE1 PHE A 31 88.383 -2.321 -0.081 1.00 0.00 H new ATOM 0 HE2 PHE A 31 89.316 -0.537 3.675 1.00 0.00 H new ATOM 0 HZ PHE A 31 89.218 -2.525 2.226 1.00 0.00 H new ATOM 512 N TYR A 32 85.186 3.220 2.257 1.00 0.00 N ATOM 513 CA TYR A 32 84.490 3.154 3.535 1.00 0.00 C ATOM 514 C TYR A 32 83.126 2.475 3.390 1.00 0.00 C ATOM 515 O TYR A 32 82.769 1.598 4.178 1.00 0.00 O ATOM 516 CB TYR A 32 84.318 4.565 4.105 1.00 0.00 C ATOM 517 CG TYR A 32 83.576 4.608 5.419 1.00 0.00 C ATOM 518 CD1 TYR A 32 84.104 4.006 6.551 1.00 0.00 C ATOM 519 CD2 TYR A 32 82.347 5.249 5.528 1.00 0.00 C ATOM 520 CE1 TYR A 32 83.432 4.040 7.754 1.00 0.00 C ATOM 521 CE2 TYR A 32 81.668 5.288 6.731 1.00 0.00 C ATOM 522 CZ TYR A 32 82.215 4.682 7.840 1.00 0.00 C ATOM 523 OH TYR A 32 81.548 4.717 9.041 1.00 0.00 O ATOM 0 H TYR A 32 85.484 4.159 1.993 1.00 0.00 H new ATOM 0 HA TYR A 32 85.091 2.556 4.221 1.00 0.00 H new ATOM 0 HB2 TYR A 32 85.302 5.014 4.240 1.00 0.00 H new ATOM 0 HB3 TYR A 32 83.785 5.177 3.378 1.00 0.00 H new ATOM 0 HD1 TYR A 32 85.057 3.502 6.489 1.00 0.00 H new ATOM 0 HD2 TYR A 32 81.916 5.724 4.659 1.00 0.00 H new ATOM 0 HE1 TYR A 32 83.857 3.565 8.626 1.00 0.00 H new ATOM 0 HE2 TYR A 32 80.715 5.790 6.801 1.00 0.00 H new ATOM 0 HH TYR A 32 80.707 5.208 8.934 1.00 0.00 H new ATOM 533 N GLU A 33 82.377 2.868 2.370 1.00 0.00 N ATOM 534 CA GLU A 33 81.043 2.328 2.158 1.00 0.00 C ATOM 535 C GLU A 33 81.098 0.984 1.444 1.00 0.00 C ATOM 536 O GLU A 33 80.229 0.138 1.644 1.00 0.00 O ATOM 537 CB GLU A 33 80.179 3.315 1.379 1.00 0.00 C ATOM 538 CG GLU A 33 79.877 4.583 2.158 1.00 0.00 C ATOM 539 CD GLU A 33 78.891 5.484 1.449 1.00 0.00 C ATOM 540 OE1 GLU A 33 77.681 5.170 1.466 1.00 0.00 O ATOM 541 OE2 GLU A 33 79.316 6.513 0.884 1.00 0.00 O ATOM 0 H GLU A 33 82.670 3.557 1.678 1.00 0.00 H new ATOM 0 HA GLU A 33 80.589 2.169 3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 33 80.685 3.578 0.450 1.00 0.00 H new ATOM 0 HB3 GLU A 33 79.241 2.831 1.105 1.00 0.00 H new ATOM 0 HG2 GLU A 33 79.480 4.317 3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 33 80.805 5.129 2.328 1.00 0.00 H new ATOM 548 N VAL A 34 82.123 0.784 0.622 1.00 0.00 N ATOM 549 CA VAL A 34 82.318 -0.496 -0.055 1.00 0.00 C ATOM 550 C VAL A 34 82.677 -1.576 0.964 1.00 0.00 C ATOM 551 O VAL A 34 82.181 -2.703 0.902 1.00 0.00 O ATOM 552 CB VAL A 34 83.422 -0.409 -1.133 1.00 0.00 C ATOM 553 CG1 VAL A 34 83.626 -1.756 -1.813 1.00 0.00 C ATOM 554 CG2 VAL A 34 83.082 0.661 -2.160 1.00 0.00 C ATOM 0 H VAL A 34 82.830 1.488 0.408 1.00 0.00 H new ATOM 0 HA VAL A 34 81.383 -0.754 -0.551 1.00 0.00 H new ATOM 0 HB VAL A 34 84.355 -0.133 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 34 84.408 -1.668 -2.567 1.00 0.00 H new ATOM 0 HG12 VAL A 34 83.920 -2.498 -1.070 1.00 0.00 H new ATOM 0 HG13 VAL A 34 82.696 -2.068 -2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 34 83.870 0.708 -2.911 1.00 0.00 H new ATOM 0 HG22 VAL A 34 82.136 0.415 -2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 34 82.996 1.628 -1.664 1.00 0.00 H new ATOM 564 N TRP A 35 83.528 -1.205 1.913 1.00 0.00 N ATOM 565 CA TRP A 35 83.912 -2.082 3.008 1.00 0.00 C ATOM 566 C TRP A 35 82.676 -2.540 3.780 1.00 0.00 C ATOM 567 O TRP A 35 82.519 -3.720 4.076 1.00 0.00 O ATOM 568 CB TRP A 35 84.889 -1.340 3.928 1.00 0.00 C ATOM 569 CG TRP A 35 85.335 -2.118 5.129 1.00 0.00 C ATOM 570 CD1 TRP A 35 85.899 -3.361 5.146 1.00 0.00 C ATOM 571 CD2 TRP A 35 85.277 -1.685 6.492 1.00 0.00 C ATOM 572 NE1 TRP A 35 86.184 -3.732 6.440 1.00 0.00 N ATOM 573 CE2 TRP A 35 85.814 -2.717 7.283 1.00 0.00 C ATOM 574 CE3 TRP A 35 84.820 -0.522 7.121 1.00 0.00 C ATOM 575 CZ2 TRP A 35 85.905 -2.622 8.670 1.00 0.00 C ATOM 576 CZ3 TRP A 35 84.912 -0.429 8.496 1.00 0.00 C ATOM 577 CH2 TRP A 35 85.452 -1.473 9.257 1.00 0.00 C ATOM 0 H TRP A 35 83.971 -0.287 1.943 1.00 0.00 H new ATOM 0 HA TRP A 35 84.404 -2.970 2.610 1.00 0.00 H new ATOM 0 HB2 TRP A 35 85.768 -1.057 3.349 1.00 0.00 H new ATOM 0 HB3 TRP A 35 84.419 -0.416 4.265 1.00 0.00 H new ATOM 0 HD1 TRP A 35 86.093 -3.965 4.272 1.00 0.00 H new ATOM 0 HE1 TRP A 35 86.602 -4.618 6.725 1.00 0.00 H new ATOM 0 HE3 TRP A 35 84.403 0.289 6.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 86.318 -3.427 9.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 84.562 0.464 8.992 1.00 0.00 H new ATOM 0 HH2 TRP A 35 85.512 -1.369 10.330 1.00 0.00 H new ATOM 588 N LYS A 36 81.786 -1.603 4.073 1.00 0.00 N ATOM 589 CA LYS A 36 80.555 -1.921 4.790 1.00 0.00 C ATOM 590 C LYS A 36 79.536 -2.600 3.877 1.00 0.00 C ATOM 591 O LYS A 36 78.641 -3.299 4.349 1.00 0.00 O ATOM 592 CB LYS A 36 79.963 -0.659 5.413 1.00 0.00 C ATOM 593 CG LYS A 36 80.707 -0.203 6.656 1.00 0.00 C ATOM 594 CD LYS A 36 80.176 1.120 7.177 1.00 0.00 C ATOM 595 CE LYS A 36 80.692 1.410 8.576 1.00 0.00 C ATOM 596 NZ LYS A 36 80.114 0.478 9.580 1.00 0.00 N ATOM 0 H LYS A 36 81.891 -0.619 3.827 1.00 0.00 H new ATOM 0 HA LYS A 36 80.802 -2.623 5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 36 79.975 0.143 4.675 1.00 0.00 H new ATOM 0 HB3 LYS A 36 78.919 -0.842 5.668 1.00 0.00 H new ATOM 0 HG2 LYS A 36 80.617 -0.962 7.433 1.00 0.00 H new ATOM 0 HG3 LYS A 36 81.768 -0.104 6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 36 80.473 1.924 6.504 1.00 0.00 H new ATOM 0 HD3 LYS A 36 79.086 1.098 7.186 1.00 0.00 H new ATOM 0 HE2 LYS A 36 81.779 1.328 8.587 1.00 0.00 H new ATOM 0 HE3 LYS A 36 80.447 2.436 8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 80.249 0.869 10.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 79.098 0.357 9.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 80.590 -0.444 9.513 1.00 0.00 H new ATOM 610 N TYR A 37 79.685 -2.411 2.573 1.00 0.00 N ATOM 611 CA TYR A 37 78.798 -3.044 1.601 1.00 0.00 C ATOM 612 C TYR A 37 78.980 -4.558 1.623 1.00 0.00 C ATOM 613 O TYR A 37 78.022 -5.314 1.463 1.00 0.00 O ATOM 614 CB TYR A 37 79.068 -2.493 0.195 1.00 0.00 C ATOM 615 CG TYR A 37 78.265 -3.164 -0.900 1.00 0.00 C ATOM 616 CD1 TYR A 37 76.935 -2.830 -1.119 1.00 0.00 C ATOM 617 CD2 TYR A 37 78.842 -4.133 -1.714 1.00 0.00 C ATOM 618 CE1 TYR A 37 76.202 -3.444 -2.117 1.00 0.00 C ATOM 619 CE2 TYR A 37 78.115 -4.748 -2.714 1.00 0.00 C ATOM 620 CZ TYR A 37 76.797 -4.401 -2.913 1.00 0.00 C ATOM 621 OH TYR A 37 76.068 -5.017 -3.905 1.00 0.00 O ATOM 0 H TYR A 37 80.411 -1.825 2.162 1.00 0.00 H new ATOM 0 HA TYR A 37 77.767 -2.816 1.871 1.00 0.00 H new ATOM 0 HB2 TYR A 37 78.850 -1.425 0.188 1.00 0.00 H new ATOM 0 HB3 TYR A 37 80.129 -2.603 -0.029 1.00 0.00 H new ATOM 0 HD1 TYR A 37 76.466 -2.079 -0.500 1.00 0.00 H new ATOM 0 HD2 TYR A 37 79.875 -4.409 -1.562 1.00 0.00 H new ATOM 0 HE1 TYR A 37 75.168 -3.176 -2.273 1.00 0.00 H new ATOM 0 HE2 TYR A 37 78.578 -5.498 -3.338 1.00 0.00 H new ATOM 0 HH TYR A 37 76.635 -5.664 -4.374 1.00 0.00 H new ATOM 631 N VAL A 38 80.213 -4.994 1.839 1.00 0.00 N ATOM 632 CA VAL A 38 80.517 -6.417 1.893 1.00 0.00 C ATOM 633 C VAL A 38 80.476 -6.941 3.332 1.00 0.00 C ATOM 634 O VAL A 38 80.914 -8.058 3.613 1.00 0.00 O ATOM 635 CB VAL A 38 81.886 -6.732 1.250 1.00 0.00 C ATOM 636 CG1 VAL A 38 81.866 -6.391 -0.232 1.00 0.00 C ATOM 637 CG2 VAL A 38 83.007 -5.980 1.948 1.00 0.00 C ATOM 0 H VAL A 38 81.018 -4.384 1.980 1.00 0.00 H new ATOM 0 HA VAL A 38 79.746 -6.928 1.317 1.00 0.00 H new ATOM 0 HB VAL A 38 82.073 -7.800 1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 38 82.837 -6.618 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 38 81.096 -6.980 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.650 -5.330 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 38 83.958 -6.222 1.473 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.827 -4.908 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 38 83.041 -6.270 2.998 1.00 0.00 H new ATOM 647 N GLY A 39 79.938 -6.129 4.238 1.00 0.00 N ATOM 648 CA GLY A 39 79.731 -6.567 5.609 1.00 0.00 C ATOM 649 C GLY A 39 80.938 -6.353 6.500 1.00 0.00 C ATOM 650 O GLY A 39 81.135 -7.103 7.457 1.00 0.00 O ATOM 0 H GLY A 39 79.641 -5.172 4.047 1.00 0.00 H new ATOM 0 HA2 GLY A 39 78.880 -6.031 6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 39 79.472 -7.626 5.609 1.00 0.00 H new ATOM 654 N GLU A 40 81.732 -5.325 6.176 1.00 0.00 N ATOM 655 CA GLU A 40 82.939 -4.945 6.930 1.00 0.00 C ATOM 656 C GLU A 40 83.712 -6.151 7.483 1.00 0.00 C ATOM 657 O GLU A 40 83.666 -6.455 8.678 1.00 0.00 O ATOM 658 CB GLU A 40 82.617 -3.914 8.031 1.00 0.00 C ATOM 659 CG GLU A 40 81.440 -4.264 8.933 1.00 0.00 C ATOM 660 CD GLU A 40 81.107 -3.148 9.906 1.00 0.00 C ATOM 661 OE1 GLU A 40 80.491 -2.145 9.483 1.00 0.00 O ATOM 662 OE2 GLU A 40 81.459 -3.262 11.101 1.00 0.00 O ATOM 0 H GLU A 40 81.554 -4.724 5.372 1.00 0.00 H new ATOM 0 HA GLU A 40 83.608 -4.467 6.214 1.00 0.00 H new ATOM 0 HB2 GLU A 40 83.503 -3.784 8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 40 82.416 -2.953 7.557 1.00 0.00 H new ATOM 0 HG2 GLU A 40 80.566 -4.480 8.318 1.00 0.00 H new ATOM 0 HG3 GLU A 40 81.670 -5.172 9.490 1.00 0.00 H new ATOM 669 N PRO A 41 84.435 -6.862 6.597 1.00 0.00 N ATOM 670 CA PRO A 41 85.203 -8.045 6.958 1.00 0.00 C ATOM 671 C PRO A 41 86.632 -7.709 7.394 1.00 0.00 C ATOM 672 O PRO A 41 86.927 -6.574 7.781 1.00 0.00 O ATOM 673 CB PRO A 41 85.205 -8.834 5.650 1.00 0.00 C ATOM 674 CG PRO A 41 85.217 -7.791 4.581 1.00 0.00 C ATOM 675 CD PRO A 41 84.548 -6.565 5.158 1.00 0.00 C ATOM 0 HA PRO A 41 84.781 -8.580 7.809 1.00 0.00 H new ATOM 0 HB2 PRO A 41 86.078 -9.483 5.580 1.00 0.00 H new ATOM 0 HB3 PRO A 41 84.325 -9.473 5.571 1.00 0.00 H new ATOM 0 HG2 PRO A 41 86.238 -7.565 4.273 1.00 0.00 H new ATOM 0 HG3 PRO A 41 84.686 -8.140 3.695 1.00 0.00 H new ATOM 0 HD2 PRO A 41 85.140 -5.667 4.981 1.00 0.00 H new ATOM 0 HD3 PRO A 41 83.570 -6.395 4.708 1.00 0.00 H new ATOM 683 N GLU A 42 87.509 -8.703 7.328 1.00 0.00 N ATOM 684 CA GLU A 42 88.895 -8.539 7.736 1.00 0.00 C ATOM 685 C GLU A 42 89.665 -7.652 6.768 1.00 0.00 C ATOM 686 O GLU A 42 89.715 -7.915 5.566 1.00 0.00 O ATOM 687 CB GLU A 42 89.573 -9.903 7.850 1.00 0.00 C ATOM 688 CG GLU A 42 89.099 -10.710 9.045 1.00 0.00 C ATOM 689 CD GLU A 42 89.473 -10.055 10.358 1.00 0.00 C ATOM 690 OE1 GLU A 42 88.746 -9.141 10.803 1.00 0.00 O ATOM 691 OE2 GLU A 42 90.503 -10.443 10.945 1.00 0.00 O ATOM 0 H GLU A 42 87.280 -9.639 6.992 1.00 0.00 H new ATOM 0 HA GLU A 42 88.899 -8.050 8.710 1.00 0.00 H new ATOM 0 HB2 GLU A 42 89.386 -10.471 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 42 90.651 -9.760 7.921 1.00 0.00 H new ATOM 0 HG2 GLU A 42 88.017 -10.830 8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 42 89.532 -11.709 9.002 1.00 0.00 H new ATOM 698 N LEU A 43 90.251 -6.591 7.304 1.00 0.00 N ATOM 699 CA LEU A 43 91.093 -5.705 6.519 1.00 0.00 C ATOM 700 C LEU A 43 92.533 -6.191 6.542 1.00 0.00 C ATOM 701 O LEU A 43 93.163 -6.260 7.600 1.00 0.00 O ATOM 702 CB LEU A 43 91.011 -4.271 7.049 1.00 0.00 C ATOM 703 CG LEU A 43 89.683 -3.559 6.790 1.00 0.00 C ATOM 704 CD1 LEU A 43 89.692 -2.174 7.418 1.00 0.00 C ATOM 705 CD2 LEU A 43 89.418 -3.463 5.294 1.00 0.00 C ATOM 0 H LEU A 43 90.157 -6.324 8.284 1.00 0.00 H new ATOM 0 HA LEU A 43 90.734 -5.713 5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 43 91.194 -4.286 8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 43 91.813 -3.687 6.597 1.00 0.00 H new ATOM 0 HG LEU A 43 88.882 -4.140 7.248 1.00 0.00 H new ATOM 0 HD11 LEU A 43 88.740 -1.681 7.224 1.00 0.00 H new ATOM 0 HD12 LEU A 43 89.842 -2.263 8.494 1.00 0.00 H new ATOM 0 HD13 LEU A 43 90.501 -1.584 6.986 1.00 0.00 H new ATOM 0 HD21 LEU A 43 88.469 -2.954 5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 43 90.221 -2.901 4.817 1.00 0.00 H new ATOM 0 HD23 LEU A 43 89.373 -4.465 4.867 1.00 0.00 H new ATOM 717 N LYS A 44 93.046 -6.539 5.375 1.00 0.00 N ATOM 718 CA LYS A 44 94.400 -7.048 5.256 1.00 0.00 C ATOM 719 C LYS A 44 95.354 -5.923 4.891 1.00 0.00 C ATOM 720 O LYS A 44 95.200 -5.280 3.856 1.00 0.00 O ATOM 721 CB LYS A 44 94.459 -8.146 4.194 1.00 0.00 C ATOM 722 CG LYS A 44 93.491 -9.288 4.448 1.00 0.00 C ATOM 723 CD LYS A 44 93.549 -10.326 3.341 1.00 0.00 C ATOM 724 CE LYS A 44 92.581 -11.468 3.600 1.00 0.00 C ATOM 725 NZ LYS A 44 92.891 -12.181 4.868 1.00 0.00 N ATOM 0 H LYS A 44 92.541 -6.478 4.491 1.00 0.00 H new ATOM 0 HA LYS A 44 94.700 -7.468 6.216 1.00 0.00 H new ATOM 0 HB2 LYS A 44 94.245 -7.709 3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 44 95.473 -8.543 4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 44 93.726 -9.759 5.402 1.00 0.00 H new ATOM 0 HG3 LYS A 44 92.477 -8.896 4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 44 93.312 -9.856 2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 44 94.563 -10.718 3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 44 91.564 -11.079 3.642 1.00 0.00 H new ATOM 0 HE3 LYS A 44 92.619 -12.172 2.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 92.374 -13.083 4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 93.913 -12.367 4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 92.604 -11.593 5.676 1.00 0.00 H new ATOM 739 N THR A 45 96.324 -5.675 5.748 1.00 0.00 N ATOM 740 CA THR A 45 97.300 -4.635 5.497 1.00 0.00 C ATOM 741 C THR A 45 98.648 -5.242 5.129 1.00 0.00 C ATOM 742 O THR A 45 99.104 -6.194 5.763 1.00 0.00 O ATOM 743 CB THR A 45 97.461 -3.707 6.718 1.00 0.00 C ATOM 744 OG1 THR A 45 97.758 -4.470 7.897 1.00 0.00 O ATOM 745 CG2 THR A 45 96.200 -2.891 6.946 1.00 0.00 C ATOM 0 H THR A 45 96.457 -6.180 6.624 1.00 0.00 H new ATOM 0 HA THR A 45 96.935 -4.040 4.660 1.00 0.00 H new ATOM 0 HB THR A 45 98.289 -3.028 6.514 1.00 0.00 H new ATOM 0 HG1 THR A 45 97.843 -3.867 8.664 1.00 0.00 H new ATOM 0 HG21 THR A 45 96.337 -2.244 7.812 1.00 0.00 H new ATOM 0 HG22 THR A 45 95.997 -2.281 6.066 1.00 0.00 H new ATOM 0 HG23 THR A 45 95.360 -3.562 7.124 1.00 0.00 H new ATOM 753 N TYR A 46 99.272 -4.702 4.095 1.00 0.00 N ATOM 754 CA TYR A 46 100.579 -5.175 3.670 1.00 0.00 C ATOM 755 C TYR A 46 101.541 -4.004 3.549 1.00 0.00 C ATOM 756 O TYR A 46 101.163 -2.918 3.101 1.00 0.00 O ATOM 757 CB TYR A 46 100.487 -5.944 2.342 1.00 0.00 C ATOM 758 CG TYR A 46 100.152 -5.090 1.135 1.00 0.00 C ATOM 759 CD1 TYR A 46 98.876 -4.571 0.955 1.00 0.00 C ATOM 760 CD2 TYR A 46 101.112 -4.814 0.167 1.00 0.00 C ATOM 761 CE1 TYR A 46 98.566 -3.804 -0.150 1.00 0.00 C ATOM 762 CE2 TYR A 46 100.810 -4.044 -0.940 1.00 0.00 C ATOM 763 CZ TYR A 46 99.535 -3.542 -1.093 1.00 0.00 C ATOM 764 OH TYR A 46 99.227 -2.778 -2.193 1.00 0.00 O ATOM 0 H TYR A 46 98.895 -3.937 3.535 1.00 0.00 H new ATOM 0 HA TYR A 46 100.957 -5.865 4.424 1.00 0.00 H new ATOM 0 HB2 TYR A 46 101.438 -6.445 2.162 1.00 0.00 H new ATOM 0 HB3 TYR A 46 99.730 -6.722 2.440 1.00 0.00 H new ATOM 0 HD1 TYR A 46 98.113 -4.771 1.693 1.00 0.00 H new ATOM 0 HD2 TYR A 46 102.111 -5.208 0.283 1.00 0.00 H new ATOM 0 HE1 TYR A 46 97.568 -3.411 -0.275 1.00 0.00 H new ATOM 0 HE2 TYR A 46 101.568 -3.837 -1.681 1.00 0.00 H new ATOM 0 HH TYR A 46 100.021 -2.686 -2.760 1.00 0.00 H new ATOM 774 N VAL A 47 102.775 -4.221 3.967 1.00 0.00 N ATOM 775 CA VAL A 47 103.783 -3.179 3.918 1.00 0.00 C ATOM 776 C VAL A 47 104.672 -3.352 2.696 1.00 0.00 C ATOM 777 O VAL A 47 105.443 -4.308 2.601 1.00 0.00 O ATOM 778 CB VAL A 47 104.654 -3.171 5.191 1.00 0.00 C ATOM 779 CG1 VAL A 47 105.681 -2.050 5.134 1.00 0.00 C ATOM 780 CG2 VAL A 47 103.785 -3.038 6.432 1.00 0.00 C ATOM 0 H VAL A 47 103.103 -5.110 4.344 1.00 0.00 H new ATOM 0 HA VAL A 47 103.259 -2.225 3.854 1.00 0.00 H new ATOM 0 HB VAL A 47 105.188 -4.120 5.245 1.00 0.00 H new ATOM 0 HG11 VAL A 47 106.284 -2.063 6.042 1.00 0.00 H new ATOM 0 HG12 VAL A 47 106.326 -2.192 4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 47 105.169 -1.091 5.052 1.00 0.00 H new ATOM 0 HG21 VAL A 47 104.417 -3.034 7.320 1.00 0.00 H new ATOM 0 HG22 VAL A 47 103.222 -2.106 6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 47 103.093 -3.878 6.483 1.00 0.00 H new ATOM 790 N ILE A 48 104.538 -2.441 1.750 1.00 0.00 N ATOM 791 CA ILE A 48 105.387 -2.436 0.577 1.00 0.00 C ATOM 792 C ILE A 48 106.387 -1.286 0.672 1.00 0.00 C ATOM 793 O ILE A 48 106.026 -0.114 0.558 1.00 0.00 O ATOM 794 CB ILE A 48 104.561 -2.347 -0.735 1.00 0.00 C ATOM 795 CG1 ILE A 48 105.485 -2.187 -1.948 1.00 0.00 C ATOM 796 CG2 ILE A 48 103.541 -1.215 -0.672 1.00 0.00 C ATOM 797 CD1 ILE A 48 104.750 -2.143 -3.271 1.00 0.00 C ATOM 0 H ILE A 48 103.845 -1.692 1.773 1.00 0.00 H new ATOM 0 HA ILE A 48 105.929 -3.381 0.545 1.00 0.00 H new ATOM 0 HB ILE A 48 104.010 -3.281 -0.847 1.00 0.00 H new ATOM 0 HG12 ILE A 48 106.065 -1.271 -1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 48 106.195 -3.014 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 48 102.979 -1.179 -1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 48 102.856 -1.388 0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 48 104.058 -0.267 -0.523 1.00 0.00 H new ATOM 0 HD11 ILE A 48 105.468 -2.028 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 48 104.192 -3.069 -3.408 1.00 0.00 H new ATOM 0 HD13 ILE A 48 104.060 -1.300 -3.276 1.00 0.00 H new ATOM 809 N GLU A 49 107.638 -1.622 0.938 1.00 0.00 N ATOM 810 CA GLU A 49 108.672 -0.613 1.073 1.00 0.00 C ATOM 811 C GLU A 49 109.180 -0.197 -0.300 1.00 0.00 C ATOM 812 O GLU A 49 109.924 -0.934 -0.953 1.00 0.00 O ATOM 813 CB GLU A 49 109.825 -1.131 1.934 1.00 0.00 C ATOM 814 CG GLU A 49 110.895 -0.085 2.200 1.00 0.00 C ATOM 815 CD GLU A 49 112.053 -0.627 3.008 1.00 0.00 C ATOM 816 OE1 GLU A 49 113.003 -1.159 2.405 1.00 0.00 O ATOM 817 OE2 GLU A 49 112.023 -0.515 4.252 1.00 0.00 O ATOM 0 H GLU A 49 107.960 -2.582 1.064 1.00 0.00 H new ATOM 0 HA GLU A 49 108.243 0.258 1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 49 109.428 -1.485 2.886 1.00 0.00 H new ATOM 0 HB3 GLU A 49 110.281 -1.989 1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 49 111.268 0.297 1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 49 110.450 0.757 2.730 1.00 0.00 H new ATOM 824 N ASP A 50 108.753 0.974 -0.740 1.00 0.00 N ATOM 825 CA ASP A 50 109.166 1.503 -2.028 1.00 0.00 C ATOM 826 C ASP A 50 110.234 2.565 -1.808 1.00 0.00 C ATOM 827 O ASP A 50 110.211 3.270 -0.800 1.00 0.00 O ATOM 828 CB ASP A 50 107.965 2.096 -2.770 1.00 0.00 C ATOM 829 CG ASP A 50 108.216 2.246 -4.255 1.00 0.00 C ATOM 830 OD1 ASP A 50 109.015 3.115 -4.649 1.00 0.00 O ATOM 831 OD2 ASP A 50 107.616 1.483 -5.043 1.00 0.00 O ATOM 0 H ASP A 50 108.117 1.579 -0.221 1.00 0.00 H new ATOM 0 HA ASP A 50 109.576 0.698 -2.638 1.00 0.00 H new ATOM 0 HB2 ASP A 50 107.095 1.458 -2.615 1.00 0.00 H new ATOM 0 HB3 ASP A 50 107.725 3.071 -2.345 1.00 0.00 H new ATOM 836 N GLU A 51 111.174 2.678 -2.728 1.00 0.00 N ATOM 837 CA GLU A 51 112.296 3.584 -2.549 1.00 0.00 C ATOM 838 C GLU A 51 112.071 4.890 -3.301 1.00 0.00 C ATOM 839 O GLU A 51 111.824 4.888 -4.508 1.00 0.00 O ATOM 840 CB GLU A 51 113.586 2.909 -3.005 1.00 0.00 C ATOM 841 CG GLU A 51 113.829 1.574 -2.319 1.00 0.00 C ATOM 842 CD GLU A 51 115.123 0.922 -2.746 1.00 0.00 C ATOM 843 OE1 GLU A 51 115.207 0.453 -3.899 1.00 0.00 O ATOM 844 OE2 GLU A 51 116.067 0.879 -1.930 1.00 0.00 O ATOM 0 H GLU A 51 111.184 2.156 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 51 112.382 3.826 -1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 51 113.549 2.756 -4.084 1.00 0.00 H new ATOM 0 HB3 GLU A 51 114.427 3.573 -2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 51 113.842 1.723 -1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 51 112.999 0.902 -2.538 1.00 0.00 H new ATOM 851 N ILE A 52 112.163 5.998 -2.568 1.00 0.00 N ATOM 852 CA ILE A 52 111.928 7.333 -3.111 1.00 0.00 C ATOM 853 C ILE A 52 110.480 7.481 -3.580 1.00 0.00 C ATOM 854 O ILE A 52 110.157 7.252 -4.746 1.00 0.00 O ATOM 855 CB ILE A 52 112.886 7.682 -4.277 1.00 0.00 C ATOM 856 CG1 ILE A 52 114.343 7.465 -3.860 1.00 0.00 C ATOM 857 CG2 ILE A 52 112.675 9.127 -4.719 1.00 0.00 C ATOM 858 CD1 ILE A 52 115.339 7.722 -4.972 1.00 0.00 C ATOM 0 H ILE A 52 112.404 5.994 -1.577 1.00 0.00 H new ATOM 0 HA ILE A 52 112.126 8.032 -2.299 1.00 0.00 H new ATOM 0 HB ILE A 52 112.664 7.021 -5.115 1.00 0.00 H new ATOM 0 HG12 ILE A 52 114.573 8.120 -3.020 1.00 0.00 H new ATOM 0 HG13 ILE A 52 114.462 6.441 -3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 52 113.354 9.360 -5.539 1.00 0.00 H new ATOM 0 HG22 ILE A 52 111.646 9.259 -5.052 1.00 0.00 H new ATOM 0 HG23 ILE A 52 112.874 9.796 -3.882 1.00 0.00 H new ATOM 0 HD11 ILE A 52 116.350 7.548 -4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 52 115.136 7.049 -5.805 1.00 0.00 H new ATOM 0 HD13 ILE A 52 115.249 8.754 -5.310 1.00 0.00 H new ATOM 870 N VAL A 53 109.605 7.836 -2.653 1.00 0.00 N ATOM 871 CA VAL A 53 108.204 8.048 -2.975 1.00 0.00 C ATOM 872 C VAL A 53 107.866 9.528 -2.877 1.00 0.00 C ATOM 873 O VAL A 53 107.625 10.054 -1.790 1.00 0.00 O ATOM 874 CB VAL A 53 107.272 7.236 -2.048 1.00 0.00 C ATOM 875 CG1 VAL A 53 105.815 7.420 -2.449 1.00 0.00 C ATOM 876 CG2 VAL A 53 107.651 5.762 -2.066 1.00 0.00 C ATOM 0 H VAL A 53 109.841 7.983 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 53 108.044 7.701 -3.996 1.00 0.00 H new ATOM 0 HB VAL A 53 107.394 7.610 -1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 53 105.178 6.839 -1.782 1.00 0.00 H new ATOM 0 HG12 VAL A 53 105.548 8.475 -2.378 1.00 0.00 H new ATOM 0 HG13 VAL A 53 105.674 7.078 -3.474 1.00 0.00 H new ATOM 0 HG21 VAL A 53 106.983 5.207 -1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 53 107.563 5.376 -3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 53 108.679 5.646 -1.722 1.00 0.00 H new ATOM 886 N GLU A 54 107.886 10.202 -4.015 1.00 0.00 N ATOM 887 CA GLU A 54 107.608 11.629 -4.071 1.00 0.00 C ATOM 888 C GLU A 54 106.146 11.875 -4.437 1.00 0.00 C ATOM 889 O GLU A 54 105.482 10.991 -4.983 1.00 0.00 O ATOM 890 CB GLU A 54 108.540 12.298 -5.086 1.00 0.00 C ATOM 891 CG GLU A 54 109.991 12.350 -4.636 1.00 0.00 C ATOM 892 CD GLU A 54 110.200 13.289 -3.463 1.00 0.00 C ATOM 893 OE1 GLU A 54 110.084 12.845 -2.301 1.00 0.00 O ATOM 894 OE2 GLU A 54 110.473 14.483 -3.701 1.00 0.00 O ATOM 0 H GLU A 54 108.094 9.780 -4.920 1.00 0.00 H new ATOM 0 HA GLU A 54 107.788 12.065 -3.088 1.00 0.00 H new ATOM 0 HB2 GLU A 54 108.480 11.759 -6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 54 108.190 13.313 -5.275 1.00 0.00 H new ATOM 0 HG2 GLU A 54 110.319 11.348 -4.359 1.00 0.00 H new ATOM 0 HG3 GLU A 54 110.616 12.670 -5.470 1.00 0.00 H new ATOM 901 N PRO A 55 105.620 13.077 -4.123 1.00 0.00 N ATOM 902 CA PRO A 55 104.230 13.449 -4.424 1.00 0.00 C ATOM 903 C PRO A 55 103.870 13.287 -5.900 1.00 0.00 C ATOM 904 O PRO A 55 102.731 12.960 -6.236 1.00 0.00 O ATOM 905 CB PRO A 55 104.158 14.923 -4.020 1.00 0.00 C ATOM 906 CG PRO A 55 105.230 15.088 -3.003 1.00 0.00 C ATOM 907 CD PRO A 55 106.334 14.158 -3.416 1.00 0.00 C ATOM 0 HA PRO A 55 103.525 12.807 -3.896 1.00 0.00 H new ATOM 0 HB2 PRO A 55 104.321 15.577 -4.877 1.00 0.00 H new ATOM 0 HB3 PRO A 55 103.180 15.174 -3.609 1.00 0.00 H new ATOM 0 HG2 PRO A 55 105.580 16.120 -2.968 1.00 0.00 H new ATOM 0 HG3 PRO A 55 104.864 14.842 -2.006 1.00 0.00 H new ATOM 0 HD2 PRO A 55 107.057 14.654 -4.064 1.00 0.00 H new ATOM 0 HD3 PRO A 55 106.885 13.780 -2.555 1.00 0.00 H new ATOM 915 N GLY A 56 104.842 13.512 -6.782 1.00 0.00 N ATOM 916 CA GLY A 56 104.583 13.385 -8.203 1.00 0.00 C ATOM 917 C GLY A 56 105.770 13.766 -9.064 1.00 0.00 C ATOM 918 O GLY A 56 106.000 13.162 -10.112 1.00 0.00 O ATOM 0 H GLY A 56 105.796 13.778 -6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 56 104.299 12.356 -8.423 1.00 0.00 H new ATOM 0 HA3 GLY A 56 103.733 14.014 -8.468 1.00 0.00 H new ATOM 922 N GLU A 57 106.530 14.759 -8.628 1.00 0.00 N ATOM 923 CA GLU A 57 107.659 15.245 -9.409 1.00 0.00 C ATOM 924 C GLU A 57 108.979 14.964 -8.696 1.00 0.00 C ATOM 925 O GLU A 57 109.049 14.994 -7.466 1.00 0.00 O ATOM 926 CB GLU A 57 107.508 16.748 -9.670 1.00 0.00 C ATOM 927 CG GLU A 57 108.576 17.322 -10.584 1.00 0.00 C ATOM 928 CD GLU A 57 108.402 18.805 -10.828 1.00 0.00 C ATOM 929 OE1 GLU A 57 108.945 19.607 -10.043 1.00 0.00 O ATOM 930 OE2 GLU A 57 107.726 19.173 -11.813 1.00 0.00 O ATOM 0 H GLU A 57 106.387 15.243 -7.742 1.00 0.00 H new ATOM 0 HA GLU A 57 107.669 14.716 -10.362 1.00 0.00 H new ATOM 0 HB2 GLU A 57 106.528 16.934 -10.110 1.00 0.00 H new ATOM 0 HB3 GLU A 57 107.536 17.277 -8.717 1.00 0.00 H new ATOM 0 HG2 GLU A 57 109.558 17.143 -10.146 1.00 0.00 H new ATOM 0 HG3 GLU A 57 108.552 16.796 -11.538 1.00 0.00 H new ATOM 937 N TYR A 58 110.014 14.672 -9.472 1.00 0.00 N ATOM 938 CA TYR A 58 111.348 14.451 -8.927 1.00 0.00 C ATOM 939 C TYR A 58 112.221 15.666 -9.213 1.00 0.00 C ATOM 940 O TYR A 58 111.793 16.588 -9.911 1.00 0.00 O ATOM 941 CB TYR A 58 111.987 13.204 -9.543 1.00 0.00 C ATOM 942 CG TYR A 58 111.132 11.960 -9.453 1.00 0.00 C ATOM 943 CD1 TYR A 58 110.844 11.377 -8.225 1.00 0.00 C ATOM 944 CD2 TYR A 58 110.624 11.364 -10.599 1.00 0.00 C ATOM 945 CE1 TYR A 58 110.072 10.232 -8.144 1.00 0.00 C ATOM 946 CE2 TYR A 58 109.851 10.223 -10.526 1.00 0.00 C ATOM 947 CZ TYR A 58 109.578 9.661 -9.298 1.00 0.00 C ATOM 948 OH TYR A 58 108.817 8.518 -9.224 1.00 0.00 O ATOM 0 H TYR A 58 109.955 14.582 -10.486 1.00 0.00 H new ATOM 0 HA TYR A 58 111.264 14.301 -7.851 1.00 0.00 H new ATOM 0 HB2 TYR A 58 112.209 13.404 -10.591 1.00 0.00 H new ATOM 0 HB3 TYR A 58 112.938 13.014 -9.046 1.00 0.00 H new ATOM 0 HD1 TYR A 58 111.229 11.824 -7.320 1.00 0.00 H new ATOM 0 HD2 TYR A 58 110.837 11.800 -11.564 1.00 0.00 H new ATOM 0 HE1 TYR A 58 109.858 9.788 -7.183 1.00 0.00 H new ATOM 0 HE2 TYR A 58 109.462 9.773 -11.427 1.00 0.00 H new ATOM 0 HH TYR A 58 108.547 8.246 -10.126 1.00 0.00 H new ATOM 958 N ASP A 59 113.436 15.674 -8.680 1.00 0.00 N ATOM 959 CA ASP A 59 114.362 16.771 -8.931 1.00 0.00 C ATOM 960 C ASP A 59 115.079 16.552 -10.265 1.00 0.00 C ATOM 961 O ASP A 59 115.153 15.418 -10.746 1.00 0.00 O ATOM 962 CB ASP A 59 115.362 16.930 -7.770 1.00 0.00 C ATOM 963 CG ASP A 59 116.342 15.779 -7.629 1.00 0.00 C ATOM 964 OD1 ASP A 59 115.921 14.673 -7.225 1.00 0.00 O ATOM 965 OD2 ASP A 59 117.549 15.996 -7.871 1.00 0.00 O ATOM 0 H ASP A 59 113.802 14.939 -8.075 1.00 0.00 H new ATOM 0 HA ASP A 59 113.796 17.701 -8.994 1.00 0.00 H new ATOM 0 HB2 ASP A 59 115.922 17.854 -7.912 1.00 0.00 H new ATOM 0 HB3 ASP A 59 114.806 17.035 -6.838 1.00 0.00 H new ATOM 970 N PRO A 60 115.576 17.642 -10.891 1.00 0.00 N ATOM 971 CA PRO A 60 116.203 17.607 -12.223 1.00 0.00 C ATOM 972 C PRO A 60 117.149 16.423 -12.431 1.00 0.00 C ATOM 973 O PRO A 60 118.089 16.219 -11.655 1.00 0.00 O ATOM 974 CB PRO A 60 116.978 18.920 -12.268 1.00 0.00 C ATOM 975 CG PRO A 60 116.177 19.853 -11.431 1.00 0.00 C ATOM 976 CD PRO A 60 115.555 19.015 -10.343 1.00 0.00 C ATOM 0 HA PRO A 60 115.457 17.489 -13.009 1.00 0.00 H new ATOM 0 HB2 PRO A 60 117.987 18.799 -11.874 1.00 0.00 H new ATOM 0 HB3 PRO A 60 117.077 19.288 -13.289 1.00 0.00 H new ATOM 0 HG2 PRO A 60 116.808 20.635 -11.008 1.00 0.00 H new ATOM 0 HG3 PRO A 60 115.410 20.349 -12.026 1.00 0.00 H new ATOM 0 HD2 PRO A 60 116.122 19.083 -9.414 1.00 0.00 H new ATOM 0 HD3 PRO A 60 114.539 19.340 -10.121 1.00 0.00 H new ATOM 984 N PRO A 61 116.906 15.631 -13.490 1.00 0.00 N ATOM 985 CA PRO A 61 117.701 14.444 -13.804 1.00 0.00 C ATOM 986 C PRO A 61 119.105 14.793 -14.293 1.00 0.00 C ATOM 987 O PRO A 61 119.345 14.941 -15.492 1.00 0.00 O ATOM 988 CB PRO A 61 116.909 13.743 -14.920 1.00 0.00 C ATOM 989 CG PRO A 61 115.594 14.445 -14.988 1.00 0.00 C ATOM 990 CD PRO A 61 115.830 15.831 -14.466 1.00 0.00 C ATOM 0 HA PRO A 61 117.849 13.823 -12.920 1.00 0.00 H new ATOM 0 HB2 PRO A 61 117.436 13.806 -15.872 1.00 0.00 H new ATOM 0 HB3 PRO A 61 116.776 12.684 -14.699 1.00 0.00 H new ATOM 0 HG2 PRO A 61 115.221 14.473 -16.012 1.00 0.00 H new ATOM 0 HG3 PRO A 61 114.845 13.926 -14.390 1.00 0.00 H new ATOM 0 HD2 PRO A 61 116.126 16.517 -15.259 1.00 0.00 H new ATOM 0 HD3 PRO A 61 114.935 16.247 -14.002 1.00 0.00 H new ATOM 998 N GLU A 62 120.016 14.948 -13.350 1.00 0.00 N ATOM 999 CA GLU A 62 121.405 15.255 -13.653 1.00 0.00 C ATOM 1000 C GLU A 62 122.309 14.183 -13.064 1.00 0.00 C ATOM 1001 O GLU A 62 121.825 13.204 -12.486 1.00 0.00 O ATOM 1002 CB GLU A 62 121.774 16.626 -13.075 1.00 0.00 C ATOM 1003 CG GLU A 62 121.035 17.785 -13.724 1.00 0.00 C ATOM 1004 CD GLU A 62 121.655 18.220 -15.039 1.00 0.00 C ATOM 1005 OE1 GLU A 62 122.043 17.349 -15.847 1.00 0.00 O ATOM 1006 OE2 GLU A 62 121.781 19.444 -15.257 1.00 0.00 O ATOM 0 H GLU A 62 119.816 14.865 -12.353 1.00 0.00 H new ATOM 0 HA GLU A 62 121.538 15.279 -14.735 1.00 0.00 H new ATOM 0 HB2 GLU A 62 121.564 16.627 -12.005 1.00 0.00 H new ATOM 0 HB3 GLU A 62 122.847 16.781 -13.190 1.00 0.00 H new ATOM 0 HG2 GLU A 62 119.998 17.497 -13.895 1.00 0.00 H new ATOM 0 HG3 GLU A 62 121.022 18.631 -13.037 1.00 0.00 H new ATOM 1013 N MET A 63 123.615 14.354 -13.216 1.00 0.00 N ATOM 1014 CA MET A 63 124.567 13.468 -12.566 1.00 0.00 C ATOM 1015 C MET A 63 124.629 13.812 -11.082 1.00 0.00 C ATOM 1016 O MET A 63 125.494 14.566 -10.628 1.00 0.00 O ATOM 1017 CB MET A 63 125.948 13.566 -13.219 1.00 0.00 C ATOM 1018 CG MET A 63 126.966 12.588 -12.647 1.00 0.00 C ATOM 1019 SD MET A 63 128.495 12.535 -13.601 1.00 0.00 S ATOM 1020 CE MET A 63 129.013 14.248 -13.513 1.00 0.00 C ATOM 0 H MET A 63 124.036 15.093 -13.780 1.00 0.00 H new ATOM 0 HA MET A 63 124.236 12.436 -12.680 1.00 0.00 H new ATOM 0 HB2 MET A 63 125.847 13.387 -14.290 1.00 0.00 H new ATOM 0 HB3 MET A 63 126.326 14.581 -13.099 1.00 0.00 H new ATOM 0 HG2 MET A 63 127.194 12.868 -11.619 1.00 0.00 H new ATOM 0 HG3 MET A 63 126.527 11.591 -12.616 1.00 0.00 H new ATOM 0 HE1 MET A 63 130.051 14.331 -13.835 1.00 0.00 H new ATOM 0 HE2 MET A 63 128.382 14.853 -14.164 1.00 0.00 H new ATOM 0 HE3 MET A 63 128.922 14.603 -12.487 1.00 0.00 H new ATOM 1030 N LYS A 64 123.668 13.279 -10.349 1.00 0.00 N ATOM 1031 CA LYS A 64 123.467 13.610 -8.951 1.00 0.00 C ATOM 1032 C LYS A 64 122.787 12.447 -8.248 1.00 0.00 C ATOM 1033 O LYS A 64 121.871 11.833 -8.800 1.00 0.00 O ATOM 1034 CB LYS A 64 122.597 14.869 -8.845 1.00 0.00 C ATOM 1035 CG LYS A 64 122.097 15.167 -7.440 1.00 0.00 C ATOM 1036 CD LYS A 64 120.995 16.211 -7.465 1.00 0.00 C ATOM 1037 CE LYS A 64 120.344 16.374 -6.104 1.00 0.00 C ATOM 1038 NZ LYS A 64 119.171 17.284 -6.160 1.00 0.00 N ATOM 0 H LYS A 64 123.000 12.599 -10.711 1.00 0.00 H new ATOM 0 HA LYS A 64 124.430 13.800 -8.476 1.00 0.00 H new ATOM 0 HB2 LYS A 64 123.170 15.724 -9.203 1.00 0.00 H new ATOM 0 HB3 LYS A 64 121.739 14.760 -9.508 1.00 0.00 H new ATOM 0 HG2 LYS A 64 121.725 14.251 -6.981 1.00 0.00 H new ATOM 0 HG3 LYS A 64 122.923 15.520 -6.823 1.00 0.00 H new ATOM 0 HD2 LYS A 64 121.407 17.167 -7.788 1.00 0.00 H new ATOM 0 HD3 LYS A 64 120.240 15.925 -8.197 1.00 0.00 H new ATOM 0 HE2 LYS A 64 120.030 15.399 -5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 64 121.074 16.765 -5.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 118.571 17.128 -5.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 119.498 18.271 -6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 118.622 17.090 -7.022 1.00 0.00 H new ATOM 1052 N TYR A 65 123.230 12.135 -7.044 1.00 0.00 N ATOM 1053 CA TYR A 65 122.624 11.059 -6.285 1.00 0.00 C ATOM 1054 C TYR A 65 121.443 11.570 -5.470 1.00 0.00 C ATOM 1055 O TYR A 65 121.620 12.184 -4.418 1.00 0.00 O ATOM 1056 CB TYR A 65 123.646 10.391 -5.362 1.00 0.00 C ATOM 1057 CG TYR A 65 123.085 9.211 -4.597 1.00 0.00 C ATOM 1058 CD1 TYR A 65 122.783 8.022 -5.246 1.00 0.00 C ATOM 1059 CD2 TYR A 65 122.850 9.289 -3.228 1.00 0.00 C ATOM 1060 CE1 TYR A 65 122.262 6.944 -4.557 1.00 0.00 C ATOM 1061 CE2 TYR A 65 122.331 8.213 -2.531 1.00 0.00 C ATOM 1062 CZ TYR A 65 122.037 7.044 -3.202 1.00 0.00 C ATOM 1063 OH TYR A 65 121.515 5.971 -2.515 1.00 0.00 O ATOM 0 H TYR A 65 124.002 12.608 -6.574 1.00 0.00 H new ATOM 0 HA TYR A 65 122.264 10.316 -6.997 1.00 0.00 H new ATOM 0 HB2 TYR A 65 124.497 10.058 -5.956 1.00 0.00 H new ATOM 0 HB3 TYR A 65 124.021 11.129 -4.653 1.00 0.00 H new ATOM 0 HD1 TYR A 65 122.958 7.938 -6.308 1.00 0.00 H new ATOM 0 HD2 TYR A 65 123.076 10.204 -2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 65 122.032 6.027 -5.079 1.00 0.00 H new ATOM 0 HE2 TYR A 65 122.157 8.288 -1.468 1.00 0.00 H new ATOM 0 HH TYR A 65 121.418 6.205 -1.568 1.00 0.00 H new ATOM 1073 N THR A 66 120.244 11.348 -5.981 1.00 0.00 N ATOM 1074 CA THR A 66 119.044 11.584 -5.204 1.00 0.00 C ATOM 1075 C THR A 66 118.955 10.511 -4.125 1.00 0.00 C ATOM 1076 O THR A 66 118.927 9.320 -4.441 1.00 0.00 O ATOM 1077 CB THR A 66 117.781 11.542 -6.093 1.00 0.00 C ATOM 1078 OG1 THR A 66 117.932 12.445 -7.202 1.00 0.00 O ATOM 1079 CG2 THR A 66 116.538 11.911 -5.296 1.00 0.00 C ATOM 0 H THR A 66 120.078 11.006 -6.927 1.00 0.00 H new ATOM 0 HA THR A 66 119.097 12.576 -4.756 1.00 0.00 H new ATOM 0 HB THR A 66 117.661 10.524 -6.465 1.00 0.00 H new ATOM 0 HG1 THR A 66 117.247 13.144 -7.150 1.00 0.00 H new ATOM 0 HG21 THR A 66 115.664 11.873 -5.947 1.00 0.00 H new ATOM 0 HG22 THR A 66 116.410 11.206 -4.475 1.00 0.00 H new ATOM 0 HG23 THR A 66 116.649 12.919 -4.895 1.00 0.00 H new ATOM 1087 N ASN A 67 118.960 10.933 -2.865 1.00 0.00 N ATOM 1088 CA ASN A 67 118.986 10.003 -1.736 1.00 0.00 C ATOM 1089 C ASN A 67 117.883 8.962 -1.842 1.00 0.00 C ATOM 1090 O ASN A 67 116.696 9.284 -1.755 1.00 0.00 O ATOM 1091 CB ASN A 67 118.873 10.748 -0.402 1.00 0.00 C ATOM 1092 CG ASN A 67 120.153 11.468 -0.027 1.00 0.00 C ATOM 1093 OD1 ASN A 67 121.055 10.878 0.564 1.00 0.00 O ATOM 1094 ND2 ASN A 67 120.231 12.756 -0.330 1.00 0.00 N ATOM 0 H ASN A 67 118.946 11.917 -2.597 1.00 0.00 H new ATOM 0 HA ASN A 67 119.947 9.489 -1.770 1.00 0.00 H new ATOM 0 HB2 ASN A 67 118.058 11.470 -0.461 1.00 0.00 H new ATOM 0 HB3 ASN A 67 118.615 10.039 0.385 1.00 0.00 H new ATOM 0 HD21 ASN A 67 121.060 13.291 -0.072 1.00 0.00 H new ATOM 0 HD22 ASN A 67 119.462 13.212 -0.821 1.00 0.00 H new ATOM 1101 N VAL A 68 118.285 7.714 -2.048 1.00 0.00 N ATOM 1102 CA VAL A 68 117.340 6.616 -2.130 1.00 0.00 C ATOM 1103 C VAL A 68 116.840 6.260 -0.737 1.00 0.00 C ATOM 1104 O VAL A 68 117.412 5.412 -0.050 1.00 0.00 O ATOM 1105 CB VAL A 68 117.962 5.370 -2.797 1.00 0.00 C ATOM 1106 CG1 VAL A 68 116.928 4.267 -2.952 1.00 0.00 C ATOM 1107 CG2 VAL A 68 118.567 5.731 -4.146 1.00 0.00 C ATOM 0 H VAL A 68 119.261 7.440 -2.161 1.00 0.00 H new ATOM 0 HA VAL A 68 116.506 6.943 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 68 118.758 5.000 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 68 117.389 3.400 -3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 68 116.546 3.986 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 68 116.106 4.624 -3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 68 119.000 4.840 -4.601 1.00 0.00 H new ATOM 0 HG22 VAL A 68 117.790 6.130 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 68 119.345 6.482 -4.007 1.00 0.00 H new ATOM 1117 N LYS A 69 115.800 6.953 -0.309 1.00 0.00 N ATOM 1118 CA LYS A 69 115.239 6.747 1.008 1.00 0.00 C ATOM 1119 C LYS A 69 114.050 5.802 0.916 1.00 0.00 C ATOM 1120 O LYS A 69 113.137 6.010 0.113 1.00 0.00 O ATOM 1121 CB LYS A 69 114.831 8.088 1.619 1.00 0.00 C ATOM 1122 CG LYS A 69 114.948 8.129 3.133 1.00 0.00 C ATOM 1123 CD LYS A 69 114.870 9.554 3.654 1.00 0.00 C ATOM 1124 CE LYS A 69 115.280 9.640 5.116 1.00 0.00 C ATOM 1125 NZ LYS A 69 114.310 8.964 6.016 1.00 0.00 N ATOM 0 H LYS A 69 115.326 7.668 -0.861 1.00 0.00 H new ATOM 0 HA LYS A 69 115.989 6.295 1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 69 115.453 8.875 1.194 1.00 0.00 H new ATOM 0 HB3 LYS A 69 113.801 8.308 1.337 1.00 0.00 H new ATOM 0 HG2 LYS A 69 114.151 7.533 3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 69 115.892 7.679 3.439 1.00 0.00 H new ATOM 0 HD2 LYS A 69 115.517 10.196 3.056 1.00 0.00 H new ATOM 0 HD3 LYS A 69 113.853 9.929 3.538 1.00 0.00 H new ATOM 0 HE2 LYS A 69 116.264 9.189 5.242 1.00 0.00 H new ATOM 0 HE3 LYS A 69 115.370 10.687 5.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 114.633 9.050 7.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 113.376 9.410 5.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 114.242 7.958 5.760 1.00 0.00 H new ATOM 1139 N LYS A 70 114.080 4.755 1.722 1.00 0.00 N ATOM 1140 CA LYS A 70 113.063 3.717 1.675 1.00 0.00 C ATOM 1141 C LYS A 70 111.803 4.153 2.416 1.00 0.00 C ATOM 1142 O LYS A 70 111.866 4.626 3.554 1.00 0.00 O ATOM 1143 CB LYS A 70 113.618 2.429 2.281 1.00 0.00 C ATOM 1144 CG LYS A 70 114.847 1.895 1.558 1.00 0.00 C ATOM 1145 CD LYS A 70 115.488 0.757 2.335 1.00 0.00 C ATOM 1146 CE LYS A 70 116.676 0.159 1.597 1.00 0.00 C ATOM 1147 NZ LYS A 70 116.276 -0.477 0.314 1.00 0.00 N ATOM 0 H LYS A 70 114.804 4.600 2.423 1.00 0.00 H new ATOM 0 HA LYS A 70 112.794 3.539 0.634 1.00 0.00 H new ATOM 0 HB2 LYS A 70 113.871 2.609 3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 70 112.839 1.666 2.268 1.00 0.00 H new ATOM 0 HG2 LYS A 70 114.565 1.547 0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 70 115.570 2.699 1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 70 115.813 1.122 3.309 1.00 0.00 H new ATOM 0 HD3 LYS A 70 114.746 -0.020 2.517 1.00 0.00 H new ATOM 0 HE2 LYS A 70 117.410 0.940 1.400 1.00 0.00 H new ATOM 0 HE3 LYS A 70 117.161 -0.582 2.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 116.901 -1.285 0.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 115.293 -0.808 0.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 116.355 0.217 -0.457 1.00 0.00 H new ATOM 1161 N VAL A 71 110.665 4.007 1.754 1.00 0.00 N ATOM 1162 CA VAL A 71 109.383 4.371 2.334 1.00 0.00 C ATOM 1163 C VAL A 71 108.494 3.140 2.477 1.00 0.00 C ATOM 1164 O VAL A 71 108.035 2.574 1.485 1.00 0.00 O ATOM 1165 CB VAL A 71 108.652 5.426 1.472 1.00 0.00 C ATOM 1166 CG1 VAL A 71 107.336 5.835 2.120 1.00 0.00 C ATOM 1167 CG2 VAL A 71 109.536 6.641 1.236 1.00 0.00 C ATOM 0 H VAL A 71 110.605 3.635 0.806 1.00 0.00 H new ATOM 0 HA VAL A 71 109.581 4.798 3.317 1.00 0.00 H new ATOM 0 HB VAL A 71 108.430 4.976 0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 71 106.839 6.578 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 71 106.694 4.960 2.224 1.00 0.00 H new ATOM 0 HG13 VAL A 71 107.532 6.260 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 71 108.999 7.369 0.627 1.00 0.00 H new ATOM 0 HG22 VAL A 71 109.798 7.092 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 71 110.445 6.335 0.718 1.00 0.00 H new ATOM 1177 N LYS A 72 108.270 2.717 3.716 1.00 0.00 N ATOM 1178 CA LYS A 72 107.394 1.585 3.986 1.00 0.00 C ATOM 1179 C LYS A 72 105.935 2.000 3.845 1.00 0.00 C ATOM 1180 O LYS A 72 105.367 2.622 4.744 1.00 0.00 O ATOM 1181 CB LYS A 72 107.637 1.024 5.391 1.00 0.00 C ATOM 1182 CG LYS A 72 108.970 0.310 5.557 1.00 0.00 C ATOM 1183 CD LYS A 72 109.101 -0.284 6.953 1.00 0.00 C ATOM 1184 CE LYS A 72 110.394 -1.067 7.123 1.00 0.00 C ATOM 1185 NZ LYS A 72 111.592 -0.225 6.873 1.00 0.00 N ATOM 0 H LYS A 72 108.682 3.140 4.547 1.00 0.00 H new ATOM 0 HA LYS A 72 107.619 0.806 3.258 1.00 0.00 H new ATOM 0 HB2 LYS A 72 107.584 1.841 6.110 1.00 0.00 H new ATOM 0 HB3 LYS A 72 106.833 0.330 5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 72 109.058 -0.481 4.812 1.00 0.00 H new ATOM 0 HG3 LYS A 72 109.786 1.010 5.378 1.00 0.00 H new ATOM 0 HD2 LYS A 72 109.063 0.516 7.692 1.00 0.00 H new ATOM 0 HD3 LYS A 72 108.252 -0.940 7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 72 110.441 -1.474 8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 72 110.397 -1.915 6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 112.366 -0.528 7.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 111.888 -0.328 5.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 111.362 0.771 7.064 1.00 0.00 H new ATOM 1199 N ILE A 73 105.341 1.670 2.708 1.00 0.00 N ATOM 1200 CA ILE A 73 103.953 2.013 2.453 1.00 0.00 C ATOM 1201 C ILE A 73 103.037 0.882 2.910 1.00 0.00 C ATOM 1202 O ILE A 73 103.005 -0.190 2.308 1.00 0.00 O ATOM 1203 CB ILE A 73 103.700 2.297 0.956 1.00 0.00 C ATOM 1204 CG1 ILE A 73 104.728 3.298 0.419 1.00 0.00 C ATOM 1205 CG2 ILE A 73 102.286 2.832 0.755 1.00 0.00 C ATOM 1206 CD1 ILE A 73 104.608 3.556 -1.068 1.00 0.00 C ATOM 0 H ILE A 73 105.799 1.166 1.949 1.00 0.00 H new ATOM 0 HA ILE A 73 103.734 2.920 3.017 1.00 0.00 H new ATOM 0 HB ILE A 73 103.805 1.364 0.402 1.00 0.00 H new ATOM 0 HG12 ILE A 73 104.616 4.242 0.953 1.00 0.00 H new ATOM 0 HG13 ILE A 73 105.730 2.927 0.635 1.00 0.00 H new ATOM 0 HG21 ILE A 73 102.119 3.029 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.564 2.094 1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 73 102.163 3.756 1.320 1.00 0.00 H new ATOM 0 HD11 ILE A 73 105.368 4.274 -1.375 1.00 0.00 H new ATOM 0 HD12 ILE A 73 104.750 2.622 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 73 103.619 3.957 -1.289 1.00 0.00 H new ATOM 1218 N LYS A 74 102.317 1.123 3.991 1.00 0.00 N ATOM 1219 CA LYS A 74 101.380 0.142 4.519 1.00 0.00 C ATOM 1220 C LYS A 74 99.999 0.378 3.915 1.00 0.00 C ATOM 1221 O LYS A 74 99.325 1.345 4.259 1.00 0.00 O ATOM 1222 CB LYS A 74 101.325 0.252 6.046 1.00 0.00 C ATOM 1223 CG LYS A 74 100.501 -0.831 6.731 1.00 0.00 C ATOM 1224 CD LYS A 74 100.393 -0.558 8.225 1.00 0.00 C ATOM 1225 CE LYS A 74 99.596 -1.631 8.953 1.00 0.00 C ATOM 1226 NZ LYS A 74 100.338 -2.915 9.070 1.00 0.00 N ATOM 0 H LYS A 74 102.362 1.992 4.523 1.00 0.00 H new ATOM 0 HA LYS A 74 101.712 -0.862 4.253 1.00 0.00 H new ATOM 0 HB2 LYS A 74 102.342 0.218 6.436 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.914 1.226 6.312 1.00 0.00 H new ATOM 0 HG2 LYS A 74 99.505 -0.871 6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.962 -1.805 6.566 1.00 0.00 H new ATOM 0 HD2 LYS A 74 101.393 -0.498 8.654 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.920 0.411 8.382 1.00 0.00 H new ATOM 0 HE2 LYS A 74 99.338 -1.273 9.950 1.00 0.00 H new ATOM 0 HE3 LYS A 74 98.659 -1.804 8.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.828 -3.659 8.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 101.290 -2.804 8.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 100.415 -3.181 10.072 1.00 0.00 H new ATOM 1240 N LYS A 75 99.599 -0.490 2.997 1.00 0.00 N ATOM 1241 CA LYS A 75 98.310 -0.351 2.330 1.00 0.00 C ATOM 1242 C LYS A 75 97.325 -1.384 2.869 1.00 0.00 C ATOM 1243 O LYS A 75 97.732 -2.370 3.485 1.00 0.00 O ATOM 1244 CB LYS A 75 98.465 -0.512 0.813 1.00 0.00 C ATOM 1245 CG LYS A 75 99.484 0.430 0.193 1.00 0.00 C ATOM 1246 CD LYS A 75 99.507 0.310 -1.324 1.00 0.00 C ATOM 1247 CE LYS A 75 100.657 1.098 -1.929 1.00 0.00 C ATOM 1248 NZ LYS A 75 100.624 1.088 -3.415 1.00 0.00 N ATOM 0 H LYS A 75 100.146 -1.297 2.697 1.00 0.00 H new ATOM 0 HA LYS A 75 97.923 0.648 2.533 1.00 0.00 H new ATOM 0 HB2 LYS A 75 98.755 -1.540 0.595 1.00 0.00 H new ATOM 0 HB3 LYS A 75 97.497 -0.347 0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 75 99.249 1.457 0.474 1.00 0.00 H new ATOM 0 HG3 LYS A 75 100.474 0.209 0.591 1.00 0.00 H new ATOM 0 HD2 LYS A 75 99.596 -0.739 -1.605 1.00 0.00 H new ATOM 0 HD3 LYS A 75 98.563 0.671 -1.733 1.00 0.00 H new ATOM 0 HE2 LYS A 75 100.617 2.128 -1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 75 101.603 0.679 -1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 101.426 1.637 -3.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 100.689 0.108 -3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 99.733 1.512 -3.745 1.00 0.00 H new ATOM 1262 N VAL A 76 96.039 -1.159 2.638 1.00 0.00 N ATOM 1263 CA VAL A 76 95.007 -2.059 3.137 1.00 0.00 C ATOM 1264 C VAL A 76 94.129 -2.559 1.989 1.00 0.00 C ATOM 1265 O VAL A 76 93.849 -1.819 1.046 1.00 0.00 O ATOM 1266 CB VAL A 76 94.134 -1.370 4.220 1.00 0.00 C ATOM 1267 CG1 VAL A 76 93.415 -0.152 3.657 1.00 0.00 C ATOM 1268 CG2 VAL A 76 93.136 -2.349 4.821 1.00 0.00 C ATOM 0 H VAL A 76 95.685 -0.362 2.109 1.00 0.00 H new ATOM 0 HA VAL A 76 95.505 -2.913 3.597 1.00 0.00 H new ATOM 0 HB VAL A 76 94.801 -1.032 5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 76 92.812 0.308 4.440 1.00 0.00 H new ATOM 0 HG12 VAL A 76 94.148 0.568 3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 76 92.769 -0.459 2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 76 92.537 -1.840 5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 76 92.482 -2.730 4.036 1.00 0.00 H new ATOM 0 HG23 VAL A 76 93.672 -3.179 5.281 1.00 0.00 H new ATOM 1278 N TYR A 77 93.725 -3.822 2.059 1.00 0.00 N ATOM 1279 CA TYR A 77 92.888 -4.415 1.029 1.00 0.00 C ATOM 1280 C TYR A 77 92.053 -5.559 1.592 1.00 0.00 C ATOM 1281 O TYR A 77 92.289 -6.021 2.710 1.00 0.00 O ATOM 1282 CB TYR A 77 93.753 -4.944 -0.123 1.00 0.00 C ATOM 1283 CG TYR A 77 94.606 -6.143 0.243 1.00 0.00 C ATOM 1284 CD1 TYR A 77 95.843 -5.982 0.846 1.00 0.00 C ATOM 1285 CD2 TYR A 77 94.168 -7.438 -0.017 1.00 0.00 C ATOM 1286 CE1 TYR A 77 96.621 -7.073 1.185 1.00 0.00 C ATOM 1287 CE2 TYR A 77 94.940 -8.533 0.319 1.00 0.00 C ATOM 1288 CZ TYR A 77 96.166 -8.344 0.919 1.00 0.00 C ATOM 1289 OH TYR A 77 96.939 -9.432 1.257 1.00 0.00 O ATOM 0 H TYR A 77 93.966 -4.455 2.822 1.00 0.00 H new ATOM 0 HA TYR A 77 92.219 -3.638 0.659 1.00 0.00 H new ATOM 0 HB2 TYR A 77 93.104 -5.214 -0.956 1.00 0.00 H new ATOM 0 HB3 TYR A 77 94.403 -4.142 -0.473 1.00 0.00 H new ATOM 0 HD1 TYR A 77 96.206 -4.986 1.055 1.00 0.00 H new ATOM 0 HD2 TYR A 77 93.209 -7.589 -0.489 1.00 0.00 H new ATOM 0 HE1 TYR A 77 97.582 -6.928 1.657 1.00 0.00 H new ATOM 0 HE2 TYR A 77 94.585 -9.532 0.113 1.00 0.00 H new ATOM 0 HH TYR A 77 96.473 -10.256 1.003 1.00 0.00 H new ATOM 1299 N PHE A 78 91.078 -6.005 0.813 1.00 0.00 N ATOM 1300 CA PHE A 78 90.373 -7.246 1.106 1.00 0.00 C ATOM 1301 C PHE A 78 90.203 -8.038 -0.184 1.00 0.00 C ATOM 1302 O PHE A 78 90.145 -7.457 -1.271 1.00 0.00 O ATOM 1303 CB PHE A 78 89.018 -6.991 1.791 1.00 0.00 C ATOM 1304 CG PHE A 78 87.960 -6.362 0.924 1.00 0.00 C ATOM 1305 CD1 PHE A 78 87.087 -7.152 0.190 1.00 0.00 C ATOM 1306 CD2 PHE A 78 87.824 -4.986 0.861 1.00 0.00 C ATOM 1307 CE1 PHE A 78 86.101 -6.580 -0.590 1.00 0.00 C ATOM 1308 CE2 PHE A 78 86.840 -4.409 0.079 1.00 0.00 C ATOM 1309 CZ PHE A 78 85.977 -5.206 -0.646 1.00 0.00 C ATOM 0 H PHE A 78 90.756 -5.526 -0.028 1.00 0.00 H new ATOM 0 HA PHE A 78 90.967 -7.828 1.811 1.00 0.00 H new ATOM 0 HB2 PHE A 78 88.637 -7.940 2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 78 89.183 -6.348 2.656 1.00 0.00 H new ATOM 0 HD1 PHE A 78 87.180 -8.227 0.229 1.00 0.00 H new ATOM 0 HD2 PHE A 78 88.493 -4.356 1.428 1.00 0.00 H new ATOM 0 HE1 PHE A 78 85.428 -7.207 -1.156 1.00 0.00 H new ATOM 0 HE2 PHE A 78 86.747 -3.334 0.036 1.00 0.00 H new ATOM 0 HZ PHE A 78 85.207 -4.756 -1.255 1.00 0.00 H new ATOM 1319 N GLU A 79 90.146 -9.355 -0.067 1.00 0.00 N ATOM 1320 CA GLU A 79 90.104 -10.222 -1.237 1.00 0.00 C ATOM 1321 C GLU A 79 88.696 -10.739 -1.497 1.00 0.00 C ATOM 1322 O GLU A 79 88.020 -11.225 -0.588 1.00 0.00 O ATOM 1323 CB GLU A 79 91.070 -11.393 -1.055 1.00 0.00 C ATOM 1324 CG GLU A 79 92.530 -10.970 -1.009 1.00 0.00 C ATOM 1325 CD GLU A 79 93.456 -12.111 -0.651 1.00 0.00 C ATOM 1326 OE1 GLU A 79 93.696 -12.983 -1.509 1.00 0.00 O ATOM 1327 OE2 GLU A 79 93.940 -12.145 0.500 1.00 0.00 O ATOM 0 H GLU A 79 90.128 -9.848 0.826 1.00 0.00 H new ATOM 0 HA GLU A 79 90.408 -9.634 -2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 79 90.822 -11.919 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 79 90.930 -12.100 -1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 79 92.818 -10.565 -1.979 1.00 0.00 H new ATOM 0 HG3 GLU A 79 92.649 -10.168 -0.280 1.00 0.00 H new ATOM 1334 N THR A 80 88.263 -10.628 -2.744 1.00 0.00 N ATOM 1335 CA THR A 80 86.947 -11.091 -3.148 1.00 0.00 C ATOM 1336 C THR A 80 86.965 -12.588 -3.462 1.00 0.00 C ATOM 1337 O THR A 80 87.965 -13.274 -3.233 1.00 0.00 O ATOM 1338 CB THR A 80 86.461 -10.319 -4.389 1.00 0.00 C ATOM 1339 OG1 THR A 80 87.398 -10.487 -5.462 1.00 0.00 O ATOM 1340 CG2 THR A 80 86.298 -8.839 -4.080 1.00 0.00 C ATOM 0 H THR A 80 88.811 -10.217 -3.499 1.00 0.00 H new ATOM 0 HA THR A 80 86.264 -10.911 -2.317 1.00 0.00 H new ATOM 0 HB THR A 80 85.490 -10.719 -4.683 1.00 0.00 H new ATOM 0 HG1 THR A 80 86.959 -10.940 -6.212 1.00 0.00 H new ATOM 0 HG21 THR A 80 85.954 -8.317 -4.973 1.00 0.00 H new ATOM 0 HG22 THR A 80 85.567 -8.712 -3.281 1.00 0.00 H new ATOM 0 HG23 THR A 80 87.256 -8.426 -3.764 1.00 0.00 H new ATOM 1348 N LEU A 81 85.856 -13.093 -3.986 1.00 0.00 N ATOM 1349 CA LEU A 81 85.762 -14.496 -4.365 1.00 0.00 C ATOM 1350 C LEU A 81 86.556 -14.757 -5.640 1.00 0.00 C ATOM 1351 O LEU A 81 87.155 -15.821 -5.807 1.00 0.00 O ATOM 1352 CB LEU A 81 84.300 -14.918 -4.566 1.00 0.00 C ATOM 1353 CG LEU A 81 83.480 -15.111 -3.283 1.00 0.00 C ATOM 1354 CD1 LEU A 81 83.216 -13.785 -2.586 1.00 0.00 C ATOM 1355 CD2 LEU A 81 82.172 -15.821 -3.596 1.00 0.00 C ATOM 0 H LEU A 81 85.009 -12.552 -4.158 1.00 0.00 H new ATOM 0 HA LEU A 81 86.183 -15.090 -3.554 1.00 0.00 H new ATOM 0 HB2 LEU A 81 83.806 -14.166 -5.182 1.00 0.00 H new ATOM 0 HB3 LEU A 81 84.285 -15.851 -5.129 1.00 0.00 H new ATOM 0 HG LEU A 81 84.063 -15.731 -2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 81 82.633 -13.959 -1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.165 -13.318 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 81 82.661 -13.127 -3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 81 81.600 -15.952 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 81 81.594 -15.224 -4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 81 82.383 -16.797 -4.034 1.00 0.00 H new ATOM 1367 N ASP A 82 86.583 -13.766 -6.519 1.00 0.00 N ATOM 1368 CA ASP A 82 87.261 -13.893 -7.803 1.00 0.00 C ATOM 1369 C ASP A 82 88.708 -13.404 -7.720 1.00 0.00 C ATOM 1370 O ASP A 82 89.298 -13.014 -8.725 1.00 0.00 O ATOM 1371 CB ASP A 82 86.488 -13.145 -8.898 1.00 0.00 C ATOM 1372 CG ASP A 82 86.364 -11.651 -8.656 1.00 0.00 C ATOM 1373 OD1 ASP A 82 86.025 -11.243 -7.524 1.00 0.00 O ATOM 1374 OD2 ASP A 82 86.567 -10.880 -9.613 1.00 0.00 O ATOM 0 H ASP A 82 86.141 -12.860 -6.366 1.00 0.00 H new ATOM 0 HA ASP A 82 87.288 -14.951 -8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 82 86.985 -13.308 -9.855 1.00 0.00 H new ATOM 0 HB3 ASP A 82 85.489 -13.573 -8.980 1.00 0.00 H new ATOM 1379 N ASN A 83 89.265 -13.440 -6.507 1.00 0.00 N ATOM 1380 CA ASN A 83 90.703 -13.219 -6.273 1.00 0.00 C ATOM 1381 C ASN A 83 91.127 -11.775 -6.515 1.00 0.00 C ATOM 1382 O ASN A 83 92.311 -11.499 -6.718 1.00 0.00 O ATOM 1383 CB ASN A 83 91.559 -14.144 -7.151 1.00 0.00 C ATOM 1384 CG ASN A 83 91.375 -15.609 -6.825 1.00 0.00 C ATOM 1385 OD1 ASN A 83 90.542 -16.293 -7.426 1.00 0.00 O ATOM 1386 ND2 ASN A 83 92.147 -16.104 -5.872 1.00 0.00 N ATOM 0 H ASN A 83 88.735 -13.623 -5.655 1.00 0.00 H new ATOM 0 HA ASN A 83 90.869 -13.450 -5.221 1.00 0.00 H new ATOM 0 HB2 ASN A 83 91.307 -13.977 -8.198 1.00 0.00 H new ATOM 0 HB3 ASN A 83 92.610 -13.880 -7.030 1.00 0.00 H new ATOM 0 HD21 ASN A 83 92.066 -17.086 -5.609 1.00 0.00 H new ATOM 0 HD22 ASN A 83 92.823 -15.504 -5.400 1.00 0.00 H new ATOM 1393 N VAL A 84 90.184 -10.854 -6.475 1.00 0.00 N ATOM 1394 CA VAL A 84 90.513 -9.456 -6.678 1.00 0.00 C ATOM 1395 C VAL A 84 90.738 -8.760 -5.344 1.00 0.00 C ATOM 1396 O VAL A 84 89.884 -8.796 -4.457 1.00 0.00 O ATOM 1397 CB VAL A 84 89.420 -8.721 -7.477 1.00 0.00 C ATOM 1398 CG1 VAL A 84 89.762 -7.247 -7.625 1.00 0.00 C ATOM 1399 CG2 VAL A 84 89.241 -9.365 -8.843 1.00 0.00 C ATOM 0 H VAL A 84 89.196 -11.044 -6.306 1.00 0.00 H new ATOM 0 HA VAL A 84 91.434 -9.422 -7.260 1.00 0.00 H new ATOM 0 HB VAL A 84 88.481 -8.800 -6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 84 88.977 -6.747 -8.192 1.00 0.00 H new ATOM 0 HG12 VAL A 84 89.843 -6.791 -6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 84 90.711 -7.145 -8.151 1.00 0.00 H new ATOM 0 HG21 VAL A 84 88.466 -8.835 -9.396 1.00 0.00 H new ATOM 0 HG22 VAL A 84 90.180 -9.314 -9.395 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.949 -10.408 -8.718 1.00 0.00 H new ATOM 1409 N ARG A 85 91.903 -8.149 -5.201 1.00 0.00 N ATOM 1410 CA ARG A 85 92.242 -7.429 -3.986 1.00 0.00 C ATOM 1411 C ARG A 85 91.792 -5.983 -4.105 1.00 0.00 C ATOM 1412 O ARG A 85 92.337 -5.219 -4.905 1.00 0.00 O ATOM 1413 CB ARG A 85 93.751 -7.464 -3.728 1.00 0.00 C ATOM 1414 CG ARG A 85 94.383 -8.834 -3.885 1.00 0.00 C ATOM 1415 CD ARG A 85 95.846 -8.809 -3.476 1.00 0.00 C ATOM 1416 NE ARG A 85 96.568 -9.984 -3.950 1.00 0.00 N ATOM 1417 CZ ARG A 85 96.919 -11.015 -3.182 1.00 0.00 C ATOM 1418 NH1 ARG A 85 96.616 -11.026 -1.888 1.00 0.00 N ATOM 1419 NH2 ARG A 85 97.581 -12.029 -3.713 1.00 0.00 N ATOM 0 H ARG A 85 92.632 -8.138 -5.915 1.00 0.00 H new ATOM 0 HA ARG A 85 91.733 -7.913 -3.152 1.00 0.00 H new ATOM 0 HB2 ARG A 85 94.240 -6.771 -4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 85 93.943 -7.103 -2.718 1.00 0.00 H new ATOM 0 HG2 ARG A 85 93.844 -9.559 -3.276 1.00 0.00 H new ATOM 0 HG3 ARG A 85 94.297 -9.162 -4.921 1.00 0.00 H new ATOM 0 HD2 ARG A 85 96.318 -7.910 -3.873 1.00 0.00 H new ATOM 0 HD3 ARG A 85 95.917 -8.754 -2.390 1.00 0.00 H new ATOM 0 HE ARG A 85 96.822 -10.019 -4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 85 96.111 -10.241 -1.476 1.00 0.00 H new ATOM 0 HH12 ARG A 85 96.888 -11.819 -1.307 1.00 0.00 H new ATOM 0 HH21 ARG A 85 97.820 -12.019 -4.705 1.00 0.00 H new ATOM 0 HH22 ARG A 85 97.853 -12.821 -3.131 1.00 0.00 H new ATOM 1433 N VAL A 86 90.790 -5.612 -3.334 1.00 0.00 N ATOM 1434 CA VAL A 86 90.346 -4.231 -3.299 1.00 0.00 C ATOM 1435 C VAL A 86 91.258 -3.438 -2.374 1.00 0.00 C ATOM 1436 O VAL A 86 91.121 -3.498 -1.153 1.00 0.00 O ATOM 1437 CB VAL A 86 88.881 -4.110 -2.835 1.00 0.00 C ATOM 1438 CG1 VAL A 86 88.418 -2.662 -2.892 1.00 0.00 C ATOM 1439 CG2 VAL A 86 87.980 -4.997 -3.680 1.00 0.00 C ATOM 0 H VAL A 86 90.269 -6.243 -2.725 1.00 0.00 H new ATOM 0 HA VAL A 86 90.398 -3.828 -4.311 1.00 0.00 H new ATOM 0 HB VAL A 86 88.819 -4.446 -1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 86 87.382 -2.598 -2.561 1.00 0.00 H new ATOM 0 HG12 VAL A 86 89.045 -2.053 -2.241 1.00 0.00 H new ATOM 0 HG13 VAL A 86 88.495 -2.295 -3.916 1.00 0.00 H new ATOM 0 HG21 VAL A 86 86.949 -4.899 -3.339 1.00 0.00 H new ATOM 0 HG22 VAL A 86 88.047 -4.693 -4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 86 88.297 -6.035 -3.583 1.00 0.00 H new ATOM 1449 N VAL A 87 92.204 -2.725 -2.971 1.00 0.00 N ATOM 1450 CA VAL A 87 93.254 -2.046 -2.223 1.00 0.00 C ATOM 1451 C VAL A 87 92.968 -0.553 -2.119 1.00 0.00 C ATOM 1452 O VAL A 87 92.519 0.074 -3.080 1.00 0.00 O ATOM 1453 CB VAL A 87 94.637 -2.245 -2.888 1.00 0.00 C ATOM 1454 CG1 VAL A 87 95.749 -1.692 -2.008 1.00 0.00 C ATOM 1455 CG2 VAL A 87 94.884 -3.712 -3.206 1.00 0.00 C ATOM 0 H VAL A 87 92.265 -2.601 -3.982 1.00 0.00 H new ATOM 0 HA VAL A 87 93.271 -2.485 -1.226 1.00 0.00 H new ATOM 0 HB VAL A 87 94.638 -1.690 -3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 87 96.711 -1.844 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 87 95.589 -0.626 -1.846 1.00 0.00 H new ATOM 0 HG13 VAL A 87 95.745 -2.209 -1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 87 95.863 -3.823 -3.673 1.00 0.00 H new ATOM 0 HG22 VAL A 87 94.853 -4.294 -2.285 1.00 0.00 H new ATOM 0 HG23 VAL A 87 94.114 -4.071 -3.889 1.00 0.00 H new ATOM 1465 N THR A 88 93.219 0.007 -0.948 1.00 0.00 N ATOM 1466 CA THR A 88 93.056 1.430 -0.718 1.00 0.00 C ATOM 1467 C THR A 88 94.137 1.920 0.250 1.00 0.00 C ATOM 1468 O THR A 88 94.719 1.122 0.989 1.00 0.00 O ATOM 1469 CB THR A 88 91.647 1.729 -0.158 1.00 0.00 C ATOM 1470 OG1 THR A 88 90.660 1.178 -1.039 1.00 0.00 O ATOM 1471 CG2 THR A 88 91.402 3.222 -0.010 1.00 0.00 C ATOM 0 H THR A 88 93.541 -0.512 -0.131 1.00 0.00 H new ATOM 0 HA THR A 88 93.162 1.960 -1.665 1.00 0.00 H new ATOM 0 HB THR A 88 91.577 1.275 0.830 1.00 0.00 H new ATOM 0 HG1 THR A 88 89.857 0.947 -0.527 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.400 3.389 0.386 1.00 0.00 H new ATOM 0 HG22 THR A 88 92.138 3.645 0.673 1.00 0.00 H new ATOM 0 HG23 THR A 88 91.492 3.704 -0.984 1.00 0.00 H new ATOM 1479 N ASP A 89 94.431 3.217 0.221 1.00 0.00 N ATOM 1480 CA ASP A 89 95.442 3.790 1.102 1.00 0.00 C ATOM 1481 C ASP A 89 95.009 3.735 2.562 1.00 0.00 C ATOM 1482 O ASP A 89 93.970 4.283 2.941 1.00 0.00 O ATOM 1483 CB ASP A 89 95.752 5.234 0.712 1.00 0.00 C ATOM 1484 CG ASP A 89 96.613 5.923 1.752 1.00 0.00 C ATOM 1485 OD1 ASP A 89 97.606 5.320 2.204 1.00 0.00 O ATOM 1486 OD2 ASP A 89 96.276 7.058 2.142 1.00 0.00 O ATOM 0 H ASP A 89 93.984 3.889 -0.402 1.00 0.00 H new ATOM 0 HA ASP A 89 96.344 3.189 0.987 1.00 0.00 H new ATOM 0 HB2 ASP A 89 96.262 5.249 -0.251 1.00 0.00 H new ATOM 0 HB3 ASP A 89 94.820 5.785 0.588 1.00 0.00 H new ATOM 1491 N TYR A 90 95.833 3.087 3.371 1.00 0.00 N ATOM 1492 CA TYR A 90 95.556 2.900 4.786 1.00 0.00 C ATOM 1493 C TYR A 90 95.648 4.225 5.537 1.00 0.00 C ATOM 1494 O TYR A 90 94.943 4.433 6.524 1.00 0.00 O ATOM 1495 CB TYR A 90 96.549 1.881 5.361 1.00 0.00 C ATOM 1496 CG TYR A 90 96.393 1.591 6.839 1.00 0.00 C ATOM 1497 CD1 TYR A 90 95.486 0.640 7.288 1.00 0.00 C ATOM 1498 CD2 TYR A 90 97.166 2.256 7.784 1.00 0.00 C ATOM 1499 CE1 TYR A 90 95.350 0.362 8.635 1.00 0.00 C ATOM 1500 CE2 TYR A 90 97.039 1.983 9.133 1.00 0.00 C ATOM 1501 CZ TYR A 90 96.129 1.035 9.554 1.00 0.00 C ATOM 1502 OH TYR A 90 95.999 0.760 10.896 1.00 0.00 O ATOM 0 H TYR A 90 96.714 2.675 3.064 1.00 0.00 H new ATOM 0 HA TYR A 90 94.540 2.523 4.906 1.00 0.00 H new ATOM 0 HB2 TYR A 90 96.445 0.946 4.811 1.00 0.00 H new ATOM 0 HB3 TYR A 90 97.561 2.244 5.183 1.00 0.00 H new ATOM 0 HD1 TYR A 90 94.876 0.108 6.572 1.00 0.00 H new ATOM 0 HD2 TYR A 90 97.879 2.999 7.458 1.00 0.00 H new ATOM 0 HE1 TYR A 90 94.637 -0.379 8.967 1.00 0.00 H new ATOM 0 HE2 TYR A 90 97.648 2.509 9.853 1.00 0.00 H new ATOM 0 HH TYR A 90 96.621 1.320 11.406 1.00 0.00 H new ATOM 1512 N SER A 91 96.500 5.122 5.050 1.00 0.00 N ATOM 1513 CA SER A 91 96.730 6.398 5.713 1.00 0.00 C ATOM 1514 C SER A 91 95.455 7.236 5.748 1.00 0.00 C ATOM 1515 O SER A 91 94.886 7.472 6.818 1.00 0.00 O ATOM 1516 CB SER A 91 97.857 7.168 5.012 1.00 0.00 C ATOM 1517 OG SER A 91 98.034 8.458 5.577 1.00 0.00 O ATOM 0 H SER A 91 97.043 4.987 4.197 1.00 0.00 H new ATOM 0 HA SER A 91 97.029 6.196 6.741 1.00 0.00 H new ATOM 0 HB2 SER A 91 98.787 6.605 5.089 1.00 0.00 H new ATOM 0 HB3 SER A 91 97.629 7.263 3.950 1.00 0.00 H new ATOM 0 HG SER A 91 97.732 9.138 4.940 1.00 0.00 H new ATOM 1523 N GLU A 92 94.991 7.665 4.580 1.00 0.00 N ATOM 1524 CA GLU A 92 93.839 8.551 4.510 1.00 0.00 C ATOM 1525 C GLU A 92 92.560 7.833 4.933 1.00 0.00 C ATOM 1526 O GLU A 92 91.639 8.462 5.453 1.00 0.00 O ATOM 1527 CB GLU A 92 93.676 9.137 3.105 1.00 0.00 C ATOM 1528 CG GLU A 92 94.929 9.815 2.566 1.00 0.00 C ATOM 1529 CD GLU A 92 95.625 10.697 3.586 1.00 0.00 C ATOM 1530 OE1 GLU A 92 95.151 11.821 3.844 1.00 0.00 O ATOM 1531 OE2 GLU A 92 96.666 10.270 4.131 1.00 0.00 O ATOM 0 H GLU A 92 95.392 7.415 3.676 1.00 0.00 H new ATOM 0 HA GLU A 92 94.018 9.370 5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 92 93.385 8.339 2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 92 92.861 9.860 3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 92 95.626 9.051 2.221 1.00 0.00 H new ATOM 0 HG3 GLU A 92 94.662 10.418 1.698 1.00 0.00 H new ATOM 1538 N PHE A 93 92.504 6.519 4.723 1.00 0.00 N ATOM 1539 CA PHE A 93 91.336 5.741 5.124 1.00 0.00 C ATOM 1540 C PHE A 93 91.134 5.803 6.637 1.00 0.00 C ATOM 1541 O PHE A 93 90.026 6.059 7.112 1.00 0.00 O ATOM 1542 CB PHE A 93 91.467 4.286 4.666 1.00 0.00 C ATOM 1543 CG PHE A 93 90.284 3.429 5.025 1.00 0.00 C ATOM 1544 CD1 PHE A 93 89.023 3.720 4.528 1.00 0.00 C ATOM 1545 CD2 PHE A 93 90.434 2.332 5.859 1.00 0.00 C ATOM 1546 CE1 PHE A 93 87.935 2.934 4.856 1.00 0.00 C ATOM 1547 CE2 PHE A 93 89.349 1.542 6.189 1.00 0.00 C ATOM 1548 CZ PHE A 93 88.098 1.844 5.687 1.00 0.00 C ATOM 0 H PHE A 93 93.246 5.976 4.282 1.00 0.00 H new ATOM 0 HA PHE A 93 90.462 6.178 4.641 1.00 0.00 H new ATOM 0 HB2 PHE A 93 91.604 4.266 3.585 1.00 0.00 H new ATOM 0 HB3 PHE A 93 92.365 3.855 5.109 1.00 0.00 H new ATOM 0 HD1 PHE A 93 88.889 4.571 3.877 1.00 0.00 H new ATOM 0 HD2 PHE A 93 91.410 2.092 6.255 1.00 0.00 H new ATOM 0 HE1 PHE A 93 86.958 3.172 4.463 1.00 0.00 H new ATOM 0 HE2 PHE A 93 89.479 0.689 6.839 1.00 0.00 H new ATOM 0 HZ PHE A 93 87.249 1.228 5.944 1.00 0.00 H new ATOM 1558 N GLN A 94 92.211 5.590 7.389 1.00 0.00 N ATOM 1559 CA GLN A 94 92.144 5.633 8.847 1.00 0.00 C ATOM 1560 C GLN A 94 91.778 7.028 9.331 1.00 0.00 C ATOM 1561 O GLN A 94 91.059 7.184 10.319 1.00 0.00 O ATOM 1562 CB GLN A 94 93.472 5.195 9.464 1.00 0.00 C ATOM 1563 CG GLN A 94 93.739 3.708 9.325 1.00 0.00 C ATOM 1564 CD GLN A 94 92.739 2.863 10.088 1.00 0.00 C ATOM 1565 OE1 GLN A 94 92.227 3.270 11.128 1.00 0.00 O ATOM 1566 NE2 GLN A 94 92.444 1.682 9.569 1.00 0.00 N ATOM 0 H GLN A 94 93.138 5.387 7.014 1.00 0.00 H new ATOM 0 HA GLN A 94 91.366 4.939 9.166 1.00 0.00 H new ATOM 0 HB2 GLN A 94 94.284 5.748 8.992 1.00 0.00 H new ATOM 0 HB3 GLN A 94 93.478 5.461 10.521 1.00 0.00 H new ATOM 0 HG2 GLN A 94 93.710 3.434 8.270 1.00 0.00 H new ATOM 0 HG3 GLN A 94 94.744 3.488 9.684 1.00 0.00 H new ATOM 0 HE21 GLN A 94 92.891 1.379 8.703 1.00 0.00 H new ATOM 0 HE22 GLN A 94 91.770 1.074 10.035 1.00 0.00 H new ATOM 1575 N LYS A 95 92.267 8.040 8.625 1.00 0.00 N ATOM 1576 CA LYS A 95 91.944 9.421 8.952 1.00 0.00 C ATOM 1577 C LYS A 95 90.444 9.662 8.830 1.00 0.00 C ATOM 1578 O LYS A 95 89.840 10.289 9.695 1.00 0.00 O ATOM 1579 CB LYS A 95 92.697 10.384 8.037 1.00 0.00 C ATOM 1580 CG LYS A 95 94.206 10.302 8.171 1.00 0.00 C ATOM 1581 CD LYS A 95 94.892 11.222 7.180 1.00 0.00 C ATOM 1582 CE LYS A 95 96.402 11.083 7.235 1.00 0.00 C ATOM 1583 NZ LYS A 95 97.062 11.909 6.192 1.00 0.00 N ATOM 0 H LYS A 95 92.888 7.929 7.823 1.00 0.00 H new ATOM 0 HA LYS A 95 92.251 9.603 9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 95 92.422 10.178 7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 95 92.377 11.403 8.255 1.00 0.00 H new ATOM 0 HG2 LYS A 95 94.499 10.571 9.186 1.00 0.00 H new ATOM 0 HG3 LYS A 95 94.534 9.276 8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 95 94.543 10.996 6.172 1.00 0.00 H new ATOM 0 HD3 LYS A 95 94.614 12.255 7.390 1.00 0.00 H new ATOM 0 HE2 LYS A 95 96.761 11.383 8.220 1.00 0.00 H new ATOM 0 HE3 LYS A 95 96.677 10.037 7.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 97.977 12.252 6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 97.216 11.334 5.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 96.456 12.721 5.957 1.00 0.00 H new ATOM 1597 N ILE A 96 89.850 9.144 7.761 1.00 0.00 N ATOM 1598 CA ILE A 96 88.419 9.300 7.526 1.00 0.00 C ATOM 1599 C ILE A 96 87.605 8.547 8.578 1.00 0.00 C ATOM 1600 O ILE A 96 86.554 9.021 9.019 1.00 0.00 O ATOM 1601 CB ILE A 96 88.031 8.821 6.109 1.00 0.00 C ATOM 1602 CG1 ILE A 96 88.758 9.665 5.059 1.00 0.00 C ATOM 1603 CG2 ILE A 96 86.521 8.897 5.904 1.00 0.00 C ATOM 1604 CD1 ILE A 96 88.506 9.223 3.636 1.00 0.00 C ATOM 0 H ILE A 96 90.339 8.611 7.042 1.00 0.00 H new ATOM 0 HA ILE A 96 88.188 10.362 7.605 1.00 0.00 H new ATOM 0 HB ILE A 96 88.332 7.779 5.998 1.00 0.00 H new ATOM 0 HG12 ILE A 96 88.450 10.705 5.166 1.00 0.00 H new ATOM 0 HG13 ILE A 96 89.829 9.628 5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 96 86.273 8.555 4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 96 86.022 8.263 6.637 1.00 0.00 H new ATOM 0 HG23 ILE A 96 86.188 9.927 6.029 1.00 0.00 H new ATOM 0 HD11 ILE A 96 89.055 9.870 2.952 1.00 0.00 H new ATOM 0 HD12 ILE A 96 88.841 8.193 3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 96 87.440 9.287 3.419 1.00 0.00 H new ATOM 1616 N LEU A 97 88.101 7.383 8.991 1.00 0.00 N ATOM 1617 CA LEU A 97 87.464 6.615 10.056 1.00 0.00 C ATOM 1618 C LEU A 97 87.408 7.441 11.337 1.00 0.00 C ATOM 1619 O LEU A 97 86.352 7.573 11.961 1.00 0.00 O ATOM 1620 CB LEU A 97 88.227 5.312 10.315 1.00 0.00 C ATOM 1621 CG LEU A 97 88.273 4.333 9.140 1.00 0.00 C ATOM 1622 CD1 LEU A 97 89.094 3.108 9.500 1.00 0.00 C ATOM 1623 CD2 LEU A 97 86.868 3.926 8.727 1.00 0.00 C ATOM 0 H LEU A 97 88.941 6.952 8.605 1.00 0.00 H new ATOM 0 HA LEU A 97 86.450 6.370 9.741 1.00 0.00 H new ATOM 0 HB2 LEU A 97 89.250 5.560 10.599 1.00 0.00 H new ATOM 0 HB3 LEU A 97 87.772 4.808 11.168 1.00 0.00 H new ATOM 0 HG LEU A 97 88.749 4.833 8.296 1.00 0.00 H new ATOM 0 HD11 LEU A 97 89.116 2.423 8.653 1.00 0.00 H new ATOM 0 HD12 LEU A 97 90.111 3.412 9.747 1.00 0.00 H new ATOM 0 HD13 LEU A 97 88.645 2.609 10.359 1.00 0.00 H new ATOM 0 HD21 LEU A 97 86.922 3.230 7.890 1.00 0.00 H new ATOM 0 HD22 LEU A 97 86.367 3.445 9.567 1.00 0.00 H new ATOM 0 HD23 LEU A 97 86.306 4.811 8.427 1.00 0.00 H new ATOM 1635 N LYS A 98 88.552 8.005 11.707 1.00 0.00 N ATOM 1636 CA LYS A 98 88.654 8.862 12.884 1.00 0.00 C ATOM 1637 C LYS A 98 87.808 10.118 12.708 1.00 0.00 C ATOM 1638 O LYS A 98 87.113 10.547 13.626 1.00 0.00 O ATOM 1639 CB LYS A 98 90.115 9.258 13.118 1.00 0.00 C ATOM 1640 CG LYS A 98 91.038 8.083 13.398 1.00 0.00 C ATOM 1641 CD LYS A 98 92.511 8.476 13.320 1.00 0.00 C ATOM 1642 CE LYS A 98 92.983 9.281 14.531 1.00 0.00 C ATOM 1643 NZ LYS A 98 92.375 10.637 14.605 1.00 0.00 N ATOM 0 H LYS A 98 89.431 7.883 11.203 1.00 0.00 H new ATOM 0 HA LYS A 98 88.285 8.307 13.746 1.00 0.00 H new ATOM 0 HB2 LYS A 98 90.480 9.793 12.241 1.00 0.00 H new ATOM 0 HB3 LYS A 98 90.162 9.952 13.957 1.00 0.00 H new ATOM 0 HG2 LYS A 98 90.823 7.682 14.388 1.00 0.00 H new ATOM 0 HG3 LYS A 98 90.838 7.287 12.681 1.00 0.00 H new ATOM 0 HD2 LYS A 98 93.117 7.574 13.232 1.00 0.00 H new ATOM 0 HD3 LYS A 98 92.677 9.061 12.415 1.00 0.00 H new ATOM 0 HE2 LYS A 98 92.742 8.731 15.441 1.00 0.00 H new ATOM 0 HE3 LYS A 98 94.068 9.378 14.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 93.089 11.320 14.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 92.032 10.915 13.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 91.579 10.624 15.274 1.00 0.00 H new ATOM 1657 N LYS A 99 87.878 10.686 11.512 1.00 0.00 N ATOM 1658 CA LYS A 99 87.185 11.925 11.182 1.00 0.00 C ATOM 1659 C LYS A 99 85.677 11.771 11.360 1.00 0.00 C ATOM 1660 O LYS A 99 85.046 12.546 12.083 1.00 0.00 O ATOM 1661 CB LYS A 99 87.519 12.322 9.735 1.00 0.00 C ATOM 1662 CG LYS A 99 87.169 13.757 9.357 1.00 0.00 C ATOM 1663 CD LYS A 99 85.683 13.942 9.084 1.00 0.00 C ATOM 1664 CE LYS A 99 85.369 15.367 8.658 1.00 0.00 C ATOM 1665 NZ LYS A 99 85.784 16.358 9.684 1.00 0.00 N ATOM 0 H LYS A 99 88.420 10.299 10.739 1.00 0.00 H new ATOM 0 HA LYS A 99 87.520 12.710 11.860 1.00 0.00 H new ATOM 0 HB2 LYS A 99 88.586 12.170 9.571 1.00 0.00 H new ATOM 0 HB3 LYS A 99 86.993 11.647 9.060 1.00 0.00 H new ATOM 0 HG2 LYS A 99 87.473 14.426 10.162 1.00 0.00 H new ATOM 0 HG3 LYS A 99 87.736 14.045 8.472 1.00 0.00 H new ATOM 0 HD2 LYS A 99 85.366 13.250 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 99 85.114 13.695 9.980 1.00 0.00 H new ATOM 0 HE2 LYS A 99 85.876 15.584 7.718 1.00 0.00 H new ATOM 0 HE3 LYS A 99 84.299 15.463 8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 85.362 17.283 9.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 85.460 16.044 10.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 86.821 16.442 9.686 1.00 0.00 H new ATOM 1679 N ARG A 100 85.106 10.764 10.713 1.00 0.00 N ATOM 1680 CA ARG A 100 83.658 10.579 10.726 1.00 0.00 C ATOM 1681 C ARG A 100 83.201 9.850 11.991 1.00 0.00 C ATOM 1682 O ARG A 100 82.004 9.709 12.233 1.00 0.00 O ATOM 1683 CB ARG A 100 83.195 9.839 9.463 1.00 0.00 C ATOM 1684 CG ARG A 100 83.509 10.597 8.177 1.00 0.00 C ATOM 1685 CD ARG A 100 82.868 9.947 6.957 1.00 0.00 C ATOM 1686 NE ARG A 100 83.191 10.662 5.718 1.00 0.00 N ATOM 1687 CZ ARG A 100 82.277 11.103 4.843 1.00 0.00 C ATOM 1688 NH1 ARG A 100 80.986 10.909 5.074 1.00 0.00 N ATOM 1689 NH2 ARG A 100 82.648 11.729 3.738 1.00 0.00 N ATOM 0 H ARG A 100 85.618 10.065 10.175 1.00 0.00 H new ATOM 0 HA ARG A 100 83.194 11.565 10.732 1.00 0.00 H new ATOM 0 HB2 ARG A 100 83.673 8.860 9.427 1.00 0.00 H new ATOM 0 HB3 ARG A 100 82.120 9.667 9.523 1.00 0.00 H new ATOM 0 HG2 ARG A 100 83.156 11.624 8.267 1.00 0.00 H new ATOM 0 HG3 ARG A 100 84.589 10.642 8.038 1.00 0.00 H new ATOM 0 HD2 ARG A 100 83.206 8.914 6.878 1.00 0.00 H new ATOM 0 HD3 ARG A 100 81.786 9.919 7.088 1.00 0.00 H new ATOM 0 HE ARG A 100 84.174 10.835 5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 100 80.687 10.423 5.919 1.00 0.00 H new ATOM 0 HH12 ARG A 100 80.292 11.246 4.406 1.00 0.00 H new ATOM 0 HH21 ARG A 100 83.638 11.880 3.545 1.00 0.00 H new ATOM 0 HH22 ARG A 100 81.944 12.061 3.079 1.00 0.00 H new ATOM 1703 N GLY A 101 84.158 9.391 12.791 1.00 0.00 N ATOM 1704 CA GLY A 101 83.839 8.832 14.095 1.00 0.00 C ATOM 1705 C GLY A 101 83.375 7.390 14.035 1.00 0.00 C ATOM 1706 O GLY A 101 82.457 6.996 14.758 1.00 0.00 O ATOM 0 H GLY A 101 85.152 9.396 12.560 1.00 0.00 H new ATOM 0 HA2 GLY A 101 84.719 8.896 14.735 1.00 0.00 H new ATOM 0 HA3 GLY A 101 83.061 9.437 14.561 1.00 0.00 H new ATOM 1710 N THR A 102 84.021 6.597 13.193 1.00 0.00 N ATOM 1711 CA THR A 102 83.668 5.194 13.043 1.00 0.00 C ATOM 1712 C THR A 102 84.247 4.375 14.194 1.00 0.00 C ATOM 1713 O THR A 102 85.413 4.536 14.556 1.00 0.00 O ATOM 1714 CB THR A 102 84.176 4.650 11.694 1.00 0.00 C ATOM 1715 OG1 THR A 102 83.693 5.487 10.634 1.00 0.00 O ATOM 1716 CG2 THR A 102 83.711 3.219 11.462 1.00 0.00 C ATOM 0 H THR A 102 84.794 6.903 12.602 1.00 0.00 H new ATOM 0 HA THR A 102 82.582 5.108 13.064 1.00 0.00 H new ATOM 0 HB THR A 102 85.266 4.654 11.712 1.00 0.00 H new ATOM 0 HG1 THR A 102 83.003 5.009 10.128 1.00 0.00 H new ATOM 0 HG21 THR A 102 84.087 2.866 10.502 1.00 0.00 H new ATOM 0 HG22 THR A 102 84.092 2.579 12.258 1.00 0.00 H new ATOM 0 HG23 THR A 102 82.621 3.186 11.460 1.00 0.00 H new ATOM 1724 N LYS A 103 83.428 3.511 14.779 1.00 0.00 N ATOM 1725 CA LYS A 103 83.851 2.739 15.938 1.00 0.00 C ATOM 1726 C LYS A 103 84.360 1.364 15.523 1.00 0.00 C ATOM 1727 O LYS A 103 83.628 0.571 14.929 1.00 0.00 O ATOM 1728 CB LYS A 103 82.698 2.595 16.938 1.00 0.00 C ATOM 1729 CG LYS A 103 82.116 3.923 17.403 1.00 0.00 C ATOM 1730 CD LYS A 103 83.199 4.857 17.923 1.00 0.00 C ATOM 1731 CE LYS A 103 82.619 6.159 18.453 1.00 0.00 C ATOM 1732 NZ LYS A 103 81.743 6.835 17.457 1.00 0.00 N ATOM 0 H LYS A 103 82.473 3.328 14.472 1.00 0.00 H new ATOM 0 HA LYS A 103 84.669 3.276 16.418 1.00 0.00 H new ATOM 0 HB2 LYS A 103 81.906 2.002 16.481 1.00 0.00 H new ATOM 0 HB3 LYS A 103 83.051 2.040 17.807 1.00 0.00 H new ATOM 0 HG2 LYS A 103 81.590 4.400 16.576 1.00 0.00 H new ATOM 0 HG3 LYS A 103 81.381 3.744 18.188 1.00 0.00 H new ATOM 0 HD2 LYS A 103 83.758 4.359 18.716 1.00 0.00 H new ATOM 0 HD3 LYS A 103 83.906 5.074 17.122 1.00 0.00 H new ATOM 0 HE2 LYS A 103 82.047 5.957 19.359 1.00 0.00 H new ATOM 0 HE3 LYS A 103 83.432 6.829 18.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 81.619 7.832 17.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 82.181 6.780 16.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 80.816 6.365 17.435 1.00 0.00 H new ATOM 1746 N LEU A 104 85.622 1.097 15.827 1.00 0.00 N ATOM 1747 CA LEU A 104 86.225 -0.199 15.543 1.00 0.00 C ATOM 1748 C LEU A 104 86.380 -0.995 16.834 1.00 0.00 C ATOM 1749 O LEU A 104 86.289 -0.434 17.928 1.00 0.00 O ATOM 1750 CB LEU A 104 87.584 -0.021 14.862 1.00 0.00 C ATOM 1751 CG LEU A 104 87.550 0.727 13.525 1.00 0.00 C ATOM 1752 CD1 LEU A 104 88.950 0.850 12.947 1.00 0.00 C ATOM 1753 CD2 LEU A 104 86.628 0.022 12.540 1.00 0.00 C ATOM 0 H LEU A 104 86.252 1.764 16.273 1.00 0.00 H new ATOM 0 HA LEU A 104 85.571 -0.748 14.865 1.00 0.00 H new ATOM 0 HB2 LEU A 104 88.246 0.514 15.543 1.00 0.00 H new ATOM 0 HB3 LEU A 104 88.022 -1.005 14.698 1.00 0.00 H new ATOM 0 HG LEU A 104 87.161 1.729 13.703 1.00 0.00 H new ATOM 0 HD11 LEU A 104 88.906 1.384 11.998 1.00 0.00 H new ATOM 0 HD12 LEU A 104 89.584 1.399 13.643 1.00 0.00 H new ATOM 0 HD13 LEU A 104 89.365 -0.145 12.785 1.00 0.00 H new ATOM 0 HD21 LEU A 104 86.617 0.568 11.597 1.00 0.00 H new ATOM 0 HD22 LEU A 104 86.987 -0.993 12.368 1.00 0.00 H new ATOM 0 HD23 LEU A 104 85.618 -0.015 12.949 1.00 0.00 H new ATOM 1765 N GLU A 105 86.620 -2.294 16.705 1.00 0.00 N ATOM 1766 CA GLU A 105 86.711 -3.173 17.866 1.00 0.00 C ATOM 1767 C GLU A 105 87.970 -2.920 18.685 1.00 0.00 C ATOM 1768 O GLU A 105 89.058 -2.711 18.142 1.00 0.00 O ATOM 1769 CB GLU A 105 86.679 -4.644 17.451 1.00 0.00 C ATOM 1770 CG GLU A 105 85.336 -5.111 16.923 1.00 0.00 C ATOM 1771 CD GLU A 105 85.225 -6.620 16.911 1.00 0.00 C ATOM 1772 OE1 GLU A 105 84.774 -7.191 17.925 1.00 0.00 O ATOM 1773 OE2 GLU A 105 85.604 -7.246 15.902 1.00 0.00 O ATOM 0 H GLU A 105 86.755 -2.763 15.809 1.00 0.00 H new ATOM 0 HA GLU A 105 85.843 -2.947 18.485 1.00 0.00 H new ATOM 0 HB2 GLU A 105 87.436 -4.810 16.685 1.00 0.00 H new ATOM 0 HB3 GLU A 105 86.953 -5.258 18.309 1.00 0.00 H new ATOM 0 HG2 GLU A 105 84.539 -4.694 17.539 1.00 0.00 H new ATOM 0 HG3 GLU A 105 85.191 -4.729 15.913 1.00 0.00 H new ATOM 1780 N HIS A 106 87.802 -2.933 19.999 1.00 0.00 N ATOM 1781 CA HIS A 106 88.918 -2.865 20.931 1.00 0.00 C ATOM 1782 C HIS A 106 88.819 -4.023 21.915 1.00 0.00 C ATOM 1783 O HIS A 106 88.004 -4.001 22.839 1.00 0.00 O ATOM 1784 CB HIS A 106 88.934 -1.529 21.685 1.00 0.00 C ATOM 1785 CG HIS A 106 89.444 -0.374 20.877 1.00 0.00 C ATOM 1786 ND1 HIS A 106 90.574 0.337 21.218 1.00 0.00 N ATOM 1787 CD2 HIS A 106 88.970 0.203 19.746 1.00 0.00 C ATOM 1788 CE1 HIS A 106 90.774 1.296 20.335 1.00 0.00 C ATOM 1789 NE2 HIS A 106 89.816 1.237 19.432 1.00 0.00 N ATOM 0 H HIS A 106 86.889 -2.991 20.449 1.00 0.00 H new ATOM 0 HA HIS A 106 89.848 -2.937 20.368 1.00 0.00 H new ATOM 0 HB2 HIS A 106 87.923 -1.303 22.023 1.00 0.00 H new ATOM 0 HB3 HIS A 106 89.552 -1.635 22.577 1.00 0.00 H new ATOM 0 HD2 HIS A 106 88.091 -0.095 19.195 1.00 0.00 H new ATOM 0 HE1 HIS A 106 91.585 2.009 20.349 1.00 0.00 H new ATOM 0 HE2 HIS A 106 89.719 1.859 18.630 1.00 0.00 H new ATOM 1798 N HIS A 107 89.627 -5.043 21.695 1.00 0.00 N ATOM 1799 CA HIS A 107 89.577 -6.255 22.502 1.00 0.00 C ATOM 1800 C HIS A 107 90.675 -6.256 23.556 1.00 0.00 C ATOM 1801 O HIS A 107 91.625 -5.477 23.477 1.00 0.00 O ATOM 1802 CB HIS A 107 89.713 -7.499 21.618 1.00 0.00 C ATOM 1803 CG HIS A 107 88.474 -7.849 20.851 1.00 0.00 C ATOM 1804 ND1 HIS A 107 88.003 -9.139 20.734 1.00 0.00 N ATOM 1805 CD2 HIS A 107 87.608 -7.075 20.153 1.00 0.00 C ATOM 1806 CE1 HIS A 107 86.906 -9.143 20.002 1.00 0.00 C ATOM 1807 NE2 HIS A 107 86.644 -7.903 19.638 1.00 0.00 N ATOM 0 H HIS A 107 90.333 -5.059 20.959 1.00 0.00 H new ATOM 0 HA HIS A 107 88.610 -6.277 23.004 1.00 0.00 H new ATOM 0 HB2 HIS A 107 90.530 -7.342 20.914 1.00 0.00 H new ATOM 0 HB3 HIS A 107 89.990 -8.347 22.244 1.00 0.00 H new ATOM 0 HD2 HIS A 107 87.666 -6.004 20.026 1.00 0.00 H new ATOM 0 HE1 HIS A 107 86.322 -10.014 19.744 1.00 0.00 H new ATOM 0 HE2 HIS A 107 85.853 -7.608 19.066 1.00 0.00 H new ATOM 1816 N HIS A 108 90.533 -7.131 24.542 1.00 0.00 N ATOM 1817 CA HIS A 108 91.541 -7.281 25.582 1.00 0.00 C ATOM 1818 C HIS A 108 92.593 -8.285 25.122 1.00 0.00 C ATOM 1819 O HIS A 108 93.651 -8.435 25.734 1.00 0.00 O ATOM 1820 CB HIS A 108 90.892 -7.737 26.890 1.00 0.00 C ATOM 1821 CG HIS A 108 91.591 -7.232 28.115 1.00 0.00 C ATOM 1822 ND1 HIS A 108 91.941 -8.036 29.176 1.00 0.00 N ATOM 1823 CD2 HIS A 108 91.973 -5.979 28.457 1.00 0.00 C ATOM 1824 CE1 HIS A 108 92.502 -7.302 30.117 1.00 0.00 C ATOM 1825 NE2 HIS A 108 92.534 -6.049 29.706 1.00 0.00 N ATOM 0 H HIS A 108 89.728 -7.749 24.643 1.00 0.00 H new ATOM 0 HA HIS A 108 92.022 -6.320 25.763 1.00 0.00 H new ATOM 0 HB2 HIS A 108 89.856 -7.400 26.908 1.00 0.00 H new ATOM 0 HB3 HIS A 108 90.873 -8.827 26.916 1.00 0.00 H new ATOM 0 HD2 HIS A 108 91.857 -5.089 27.857 1.00 0.00 H new ATOM 0 HE1 HIS A 108 92.873 -7.665 31.064 1.00 0.00 H new ATOM 0 HE2 HIS A 108 92.914 -5.261 30.231 1.00 0.00 H new ATOM 1834 N HIS A 109 92.274 -8.971 24.035 1.00 0.00 N ATOM 1835 CA HIS A 109 93.204 -9.868 23.362 1.00 0.00 C ATOM 1836 C HIS A 109 93.129 -9.623 21.865 1.00 0.00 C ATOM 1837 O HIS A 109 92.036 -9.581 21.306 1.00 0.00 O ATOM 1838 CB HIS A 109 92.861 -11.339 23.630 1.00 0.00 C ATOM 1839 CG HIS A 109 93.234 -11.842 24.990 1.00 0.00 C ATOM 1840 ND1 HIS A 109 92.304 -12.160 25.951 1.00 0.00 N ATOM 1841 CD2 HIS A 109 94.441 -12.138 25.525 1.00 0.00 C ATOM 1842 CE1 HIS A 109 92.921 -12.630 27.019 1.00 0.00 C ATOM 1843 NE2 HIS A 109 94.223 -12.631 26.790 1.00 0.00 N ATOM 0 H HIS A 109 91.357 -8.921 23.591 1.00 0.00 H new ATOM 0 HA HIS A 109 94.205 -9.668 23.745 1.00 0.00 H new ATOM 0 HB2 HIS A 109 91.789 -11.477 23.490 1.00 0.00 H new ATOM 0 HB3 HIS A 109 93.362 -11.954 22.882 1.00 0.00 H new ATOM 0 HD2 HIS A 109 95.400 -12.010 25.046 1.00 0.00 H new ATOM 0 HE1 HIS A 109 92.442 -12.959 27.929 1.00 0.00 H new ATOM 0 HE2 HIS A 109 94.943 -12.944 27.441 1.00 0.00 H new ATOM 1852 N HIS A 110 94.273 -9.438 21.218 1.00 0.00 N ATOM 1853 CA HIS A 110 94.289 -9.316 19.764 1.00 0.00 C ATOM 1854 C HIS A 110 93.845 -10.636 19.139 1.00 0.00 C ATOM 1855 O HIS A 110 93.138 -10.650 18.136 1.00 0.00 O ATOM 1856 CB HIS A 110 95.676 -8.892 19.241 1.00 0.00 C ATOM 1857 CG HIS A 110 96.777 -9.901 19.438 1.00 0.00 C ATOM 1858 ND1 HIS A 110 97.506 -10.004 20.602 1.00 0.00 N ATOM 1859 CD2 HIS A 110 97.278 -10.843 18.603 1.00 0.00 C ATOM 1860 CE1 HIS A 110 98.403 -10.961 20.476 1.00 0.00 C ATOM 1861 NE2 HIS A 110 98.288 -11.485 19.274 1.00 0.00 N ATOM 0 H HIS A 110 95.187 -9.370 21.666 1.00 0.00 H new ATOM 0 HA HIS A 110 93.591 -8.530 19.475 1.00 0.00 H new ATOM 0 HB2 HIS A 110 95.593 -8.673 18.176 1.00 0.00 H new ATOM 0 HB3 HIS A 110 95.964 -7.964 19.735 1.00 0.00 H new ATOM 0 HD2 HIS A 110 96.945 -11.050 17.597 1.00 0.00 H new ATOM 0 HE1 HIS A 110 99.113 -11.264 21.231 1.00 0.00 H new ATOM 0 HE2 HIS A 110 98.857 -12.245 18.902 1.00 0.00 H new ATOM 1870 N HIS A 111 94.253 -11.732 19.773 1.00 0.00 N ATOM 1871 CA HIS A 111 93.860 -13.083 19.386 1.00 0.00 C ATOM 1872 C HIS A 111 94.356 -14.063 20.439 1.00 0.00 C ATOM 1873 O HIS A 111 95.200 -14.919 20.112 1.00 0.00 O ATOM 1874 CB HIS A 111 94.417 -13.475 18.008 1.00 0.00 C ATOM 1875 CG HIS A 111 93.448 -13.275 16.883 1.00 0.00 C ATOM 1876 ND1 HIS A 111 93.663 -12.390 15.853 1.00 0.00 N ATOM 1877 CD2 HIS A 111 92.251 -13.855 16.632 1.00 0.00 C ATOM 1878 CE1 HIS A 111 92.643 -12.431 15.019 1.00 0.00 C ATOM 1879 NE2 HIS A 111 91.770 -13.312 15.467 1.00 0.00 N ATOM 1880 OXT HIS A 111 93.936 -13.934 21.605 1.00 0.00 O ATOM 0 H HIS A 111 94.875 -11.706 20.581 1.00 0.00 H new ATOM 0 HA HIS A 111 92.773 -13.113 19.317 1.00 0.00 H new ATOM 0 HB2 HIS A 111 95.315 -12.889 17.810 1.00 0.00 H new ATOM 0 HB3 HIS A 111 94.718 -14.522 18.033 1.00 0.00 H new ATOM 0 HD2 HIS A 111 91.764 -14.606 17.237 1.00 0.00 H new ATOM 0 HE1 HIS A 111 92.540 -11.842 14.120 1.00 0.00 H new ATOM 0 HE2 HIS A 111 90.884 -13.550 15.021 1.00 0.00 H new TER 1889 HIS A 111