USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 766 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 77 THR OG1 : rot 170:sc= -0.583 USER MOD Set 1.2: A 81 THR OG1 : rot 84:sc= 0.936 USER MOD Set 2.1: A 71 ASN :FLIP amide:sc= 0.917 F(o=-0.044,f=2) USER MOD Set 2.2: A 73 THR OG1 : rot 90:sc= 1.04 USER MOD Set 3.1: A 6 TYR OH : rot 74:sc= 1.04 USER MOD Set 3.2: A 11 MET CE :methyl 146:sc= -0.129 (180deg=-1.47) USER MOD Single : A 7 ASN : amide:sc= -0.868 X(o=-0.87,f=-0.62) USER MOD Single : A 17 GLN : amide:sc= 0.221 X(o=0.22,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 159:sc= -0.887 (180deg=-1.99) USER MOD Single : A 64 MET CE :methyl -112:sc= -0.949 (180deg=-2.51) USER MOD Single : A 67 THR OG1 : rot -161:sc= 0.658 USER MOD Single : A 69 SER OG : rot 101:sc= 0.0266 USER MOD Single : A 75 LYS NZ :NH3+ -116:sc= 2.51 (180deg=-0.59) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.785 K(o=0.79,f=-8!) USER MOD Single : A 87 SER OG : rot 71:sc= 0.881 USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 92 ASN :FLIP amide:sc= -0.067 F(o=-0.69,f=-0.067) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -1.57! C(o=-1.6!,f=-6.3!) USER MOD Single : A 102 SER OG : rot 159:sc= -0.297! USER MOD Single : A 108 MET CE :methyl -167:sc= -0.416 (180deg=-0.626) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -134:sc= -0.441! (180deg=-3.11!) USER MOD Single : A 124 SER OG : rot -29:sc= 0.482 USER MOD Single : A 125 GLN : amide:sc= 0.18 K(o=0.18,f=-5.8!) USER MOD Single : A 128 CYS SG : rot 180:sc= 0 USER MOD Single : A 132 THR OG1 : rot -62:sc= -0.194 USER MOD ----------------------------------------------------------------- ATOM 22 N ILE A 3 4.252 -15.434 6.879 1.00 0.00 N ATOM 23 CA ILE A 3 5.095 -14.254 6.703 1.00 0.00 C ATOM 24 C ILE A 3 4.534 -13.112 7.564 1.00 0.00 C ATOM 25 O ILE A 3 4.943 -11.954 7.459 1.00 0.00 O ATOM 26 CB ILE A 3 5.157 -13.842 5.206 1.00 0.00 C ATOM 27 CG1 ILE A 3 6.247 -12.779 4.970 1.00 0.00 C ATOM 28 CG2 ILE A 3 3.792 -13.343 4.727 1.00 0.00 C ATOM 29 CD1 ILE A 3 6.428 -12.395 3.514 1.00 0.00 C ATOM 0 HA ILE A 3 6.113 -14.480 7.022 1.00 0.00 H new ATOM 0 HB ILE A 3 5.421 -14.724 4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.999 -11.885 5.543 1.00 0.00 H new ATOM 0 HG13 ILE A 3 7.195 -13.153 5.357 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.856 -13.059 3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.053 -14.136 4.844 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.493 -12.478 5.319 1.00 0.00 H new ATOM 0 HD11 ILE A 3 7.212 -11.643 3.431 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.708 -13.277 2.937 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.494 -11.989 3.126 1.00 0.00 H new ATOM 41 N ARG A 4 3.604 -13.489 8.443 1.00 0.00 N ATOM 42 CA ARG A 4 2.888 -12.557 9.318 1.00 0.00 C ATOM 43 C ARG A 4 3.855 -11.657 10.091 1.00 0.00 C ATOM 44 O ARG A 4 3.540 -10.504 10.394 1.00 0.00 O ATOM 45 CB ARG A 4 2.021 -13.358 10.301 1.00 0.00 C ATOM 46 CG ARG A 4 1.085 -12.513 11.160 1.00 0.00 C ATOM 47 CD ARG A 4 0.366 -13.368 12.198 1.00 0.00 C ATOM 48 NE ARG A 4 -0.340 -14.501 11.591 1.00 0.00 N ATOM 49 CZ ARG A 4 -0.042 -15.786 11.819 1.00 0.00 C ATOM 50 NH1 ARG A 4 0.939 -16.110 12.654 1.00 0.00 N ATOM 51 NH2 ARG A 4 -0.725 -16.749 11.217 1.00 0.00 N ATOM 0 H ARG A 4 3.323 -14.461 8.569 1.00 0.00 H new ATOM 0 HA ARG A 4 2.261 -11.915 8.700 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.426 -14.076 9.737 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.675 -13.932 10.957 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.655 -11.730 11.661 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.352 -12.016 10.524 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.089 -13.740 12.924 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.346 -12.750 12.745 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.109 -14.296 10.953 1.00 0.00 H new ATOM 0 HH11 ARG A 4 1.470 -15.378 13.126 1.00 0.00 H new ATOM 0 HH12 ARG A 4 1.161 -17.091 12.824 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -1.482 -16.513 10.576 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.493 -17.726 11.395 1.00 0.00 H new ATOM 65 N ASP A 5 5.030 -12.201 10.400 1.00 0.00 N ATOM 66 CA ASP A 5 6.068 -11.468 11.122 1.00 0.00 C ATOM 67 C ASP A 5 6.399 -10.163 10.408 1.00 0.00 C ATOM 68 O ASP A 5 6.493 -9.106 11.035 1.00 0.00 O ATOM 69 CB ASP A 5 7.332 -12.329 11.250 1.00 0.00 C ATOM 70 CG ASP A 5 7.062 -13.656 11.938 1.00 0.00 C ATOM 71 OD1 ASP A 5 6.446 -14.541 11.303 1.00 0.00 O ATOM 72 OD2 ASP A 5 7.451 -13.816 13.113 1.00 0.00 O ATOM 0 H ASP A 5 5.289 -13.158 10.158 1.00 0.00 H new ATOM 0 HA ASP A 5 5.693 -11.234 12.119 1.00 0.00 H new ATOM 0 HB2 ASP A 5 7.744 -12.514 10.258 1.00 0.00 H new ATOM 0 HB3 ASP A 5 8.088 -11.779 11.811 1.00 0.00 H new ATOM 77 N TYR A 6 6.560 -10.246 9.086 1.00 0.00 N ATOM 78 CA TYR A 6 6.845 -9.071 8.267 1.00 0.00 C ATOM 79 C TYR A 6 5.695 -8.071 8.389 1.00 0.00 C ATOM 80 O TYR A 6 5.924 -6.871 8.574 1.00 0.00 O ATOM 81 CB TYR A 6 7.099 -9.476 6.791 1.00 0.00 C ATOM 82 CG TYR A 6 6.294 -8.686 5.763 1.00 0.00 C ATOM 83 CD1 TYR A 6 6.631 -7.378 5.427 1.00 0.00 C ATOM 84 CD2 TYR A 6 5.181 -9.250 5.150 1.00 0.00 C ATOM 85 CE1 TYR A 6 5.881 -6.662 4.513 1.00 0.00 C ATOM 86 CE2 TYR A 6 4.426 -8.538 4.243 1.00 0.00 C ATOM 87 CZ TYR A 6 4.777 -7.247 3.927 1.00 0.00 C ATOM 88 OH TYR A 6 4.012 -6.536 3.030 1.00 0.00 O ATOM 0 H TYR A 6 6.497 -11.118 8.561 1.00 0.00 H new ATOM 0 HA TYR A 6 7.756 -8.593 8.628 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.160 -9.354 6.573 1.00 0.00 H new ATOM 0 HB3 TYR A 6 6.870 -10.535 6.675 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.492 -6.916 5.887 1.00 0.00 H new ATOM 0 HD2 TYR A 6 4.903 -10.266 5.389 1.00 0.00 H new ATOM 0 HE1 TYR A 6 6.158 -5.650 4.259 1.00 0.00 H new ATOM 0 HE2 TYR A 6 3.562 -8.993 3.782 1.00 0.00 H new ATOM 0 HH TYR A 6 4.496 -6.452 2.182 1.00 0.00 H new ATOM 98 N ASN A 7 4.457 -8.582 8.325 1.00 0.00 N ATOM 99 CA ASN A 7 3.272 -7.731 8.439 1.00 0.00 C ATOM 100 C ASN A 7 3.362 -6.904 9.716 1.00 0.00 C ATOM 101 O ASN A 7 3.609 -5.698 9.675 1.00 0.00 O ATOM 102 CB ASN A 7 1.962 -8.555 8.460 1.00 0.00 C ATOM 103 CG ASN A 7 1.480 -9.027 7.092 1.00 0.00 C ATOM 104 OD1 ASN A 7 0.278 -9.064 6.837 1.00 0.00 O ATOM 105 ND2 ASN A 7 2.393 -9.420 6.221 1.00 0.00 N ATOM 0 H ASN A 7 4.255 -9.573 8.196 1.00 0.00 H new ATOM 0 HA ASN A 7 3.247 -7.084 7.562 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.108 -9.426 9.098 1.00 0.00 H new ATOM 0 HB3 ASN A 7 1.178 -7.952 8.918 1.00 0.00 H new ATOM 0 HD21 ASN A 7 2.108 -9.767 5.305 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.383 -9.376 6.465 1.00 0.00 H new ATOM 112 N ASP A 8 3.216 -7.588 10.849 1.00 0.00 N ATOM 113 CA ASP A 8 3.182 -6.936 12.156 1.00 0.00 C ATOM 114 C ASP A 8 4.417 -6.062 12.362 1.00 0.00 C ATOM 115 O ASP A 8 4.313 -4.836 12.469 1.00 0.00 O ATOM 116 CB ASP A 8 3.096 -7.995 13.270 1.00 0.00 C ATOM 117 CG ASP A 8 2.987 -7.383 14.664 1.00 0.00 C ATOM 118 OD1 ASP A 8 1.853 -7.117 15.114 1.00 0.00 O ATOM 119 OD2 ASP A 8 4.032 -7.174 15.319 1.00 0.00 O ATOM 0 H ASP A 8 3.119 -8.603 10.887 1.00 0.00 H new ATOM 0 HA ASP A 8 2.300 -6.297 12.197 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.232 -8.634 13.091 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.979 -8.633 13.227 1.00 0.00 H new ATOM 124 N ALA A 9 5.583 -6.696 12.369 1.00 0.00 N ATOM 125 CA ALA A 9 6.829 -6.018 12.697 1.00 0.00 C ATOM 126 C ALA A 9 7.136 -4.892 11.714 1.00 0.00 C ATOM 127 O ALA A 9 7.127 -3.717 12.089 1.00 0.00 O ATOM 128 CB ALA A 9 7.981 -7.017 12.746 1.00 0.00 C ATOM 0 H ALA A 9 5.691 -7.686 12.149 1.00 0.00 H new ATOM 0 HA ALA A 9 6.711 -5.568 13.683 1.00 0.00 H new ATOM 0 HB1 ALA A 9 8.905 -6.495 12.992 1.00 0.00 H new ATOM 0 HB2 ALA A 9 7.777 -7.771 13.506 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.085 -7.500 11.775 1.00 0.00 H new ATOM 134 N ASP A 10 7.361 -5.238 10.448 1.00 0.00 N ATOM 135 CA ASP A 10 7.887 -4.273 9.486 1.00 0.00 C ATOM 136 C ASP A 10 6.874 -3.174 9.179 1.00 0.00 C ATOM 137 O ASP A 10 7.249 -2.006 9.079 1.00 0.00 O ATOM 138 CB ASP A 10 8.355 -4.962 8.195 1.00 0.00 C ATOM 139 CG ASP A 10 9.612 -5.797 8.413 1.00 0.00 C ATOM 140 OD1 ASP A 10 10.709 -5.208 8.549 1.00 0.00 O ATOM 141 OD2 ASP A 10 9.508 -7.041 8.473 1.00 0.00 O ATOM 0 H ASP A 10 7.189 -6.169 10.068 1.00 0.00 H new ATOM 0 HA ASP A 10 8.755 -3.804 9.948 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.557 -5.601 7.816 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.549 -4.208 7.432 1.00 0.00 H new ATOM 146 N MET A 11 5.590 -3.527 9.064 1.00 0.00 N ATOM 147 CA MET A 11 4.574 -2.521 8.747 1.00 0.00 C ATOM 148 C MET A 11 4.351 -1.582 9.924 1.00 0.00 C ATOM 149 O MET A 11 4.316 -0.366 9.752 1.00 0.00 O ATOM 150 CB MET A 11 3.253 -3.169 8.315 1.00 0.00 C ATOM 151 CG MET A 11 3.331 -3.823 6.945 1.00 0.00 C ATOM 152 SD MET A 11 3.711 -2.626 5.651 1.00 0.00 S ATOM 153 CE MET A 11 3.864 -3.697 4.230 1.00 0.00 C ATOM 0 H MET A 11 5.236 -4.476 9.182 1.00 0.00 H new ATOM 0 HA MET A 11 4.947 -1.936 7.906 1.00 0.00 H new ATOM 0 HB2 MET A 11 2.964 -3.918 9.053 1.00 0.00 H new ATOM 0 HB3 MET A 11 2.469 -2.411 8.306 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.095 -4.600 6.957 1.00 0.00 H new ATOM 0 HG3 MET A 11 2.383 -4.311 6.721 1.00 0.00 H new ATOM 0 HE1 MET A 11 3.503 -3.178 3.342 1.00 0.00 H new ATOM 0 HE2 MET A 11 4.910 -3.969 4.091 1.00 0.00 H new ATOM 0 HE3 MET A 11 3.272 -4.599 4.389 1.00 0.00 H new ATOM 163 N ALA A 12 4.221 -2.139 11.126 1.00 0.00 N ATOM 164 CA ALA A 12 4.022 -1.308 12.316 1.00 0.00 C ATOM 165 C ALA A 12 5.195 -0.349 12.500 1.00 0.00 C ATOM 166 O ALA A 12 5.009 0.836 12.776 1.00 0.00 O ATOM 167 CB ALA A 12 3.839 -2.170 13.561 1.00 0.00 C ATOM 0 H ALA A 12 4.249 -3.143 11.303 1.00 0.00 H new ATOM 0 HA ALA A 12 3.113 -0.724 12.172 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.693 -1.528 14.430 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.967 -2.812 13.434 1.00 0.00 H new ATOM 0 HB3 ALA A 12 4.725 -2.787 13.710 1.00 0.00 H new ATOM 173 N ARG A 13 6.405 -0.865 12.319 1.00 0.00 N ATOM 174 CA ARG A 13 7.622 -0.078 12.521 1.00 0.00 C ATOM 175 C ARG A 13 7.819 0.945 11.402 1.00 0.00 C ATOM 176 O ARG A 13 8.369 2.023 11.634 1.00 0.00 O ATOM 177 CB ARG A 13 8.833 -1.012 12.624 1.00 0.00 C ATOM 178 CG ARG A 13 8.764 -1.944 13.829 1.00 0.00 C ATOM 179 CD ARG A 13 9.855 -3.004 13.804 1.00 0.00 C ATOM 180 NE ARG A 13 9.712 -3.948 14.915 1.00 0.00 N ATOM 181 CZ ARG A 13 10.349 -5.117 14.994 1.00 0.00 C ATOM 182 NH1 ARG A 13 11.152 -5.515 14.015 1.00 0.00 N ATOM 183 NH2 ARG A 13 10.160 -5.903 16.045 1.00 0.00 N ATOM 0 H ARG A 13 6.573 -1.829 12.031 1.00 0.00 H new ATOM 0 HA ARG A 13 7.521 0.477 13.453 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.904 -1.608 11.714 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.742 -0.414 12.685 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.851 -1.358 14.744 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.789 -2.430 13.854 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.817 -3.545 12.858 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.832 -2.523 13.857 1.00 0.00 H new ATOM 0 HE ARG A 13 9.084 -3.695 15.678 1.00 0.00 H new ATOM 0 HH11 ARG A 13 11.286 -4.925 13.194 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.635 -6.411 14.084 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.528 -5.613 16.791 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.646 -6.797 16.107 1.00 0.00 H new ATOM 197 N LEU A 14 7.370 0.608 10.196 1.00 0.00 N ATOM 198 CA LEU A 14 7.466 1.527 9.062 1.00 0.00 C ATOM 199 C LEU A 14 6.478 2.679 9.229 1.00 0.00 C ATOM 200 O LEU A 14 6.857 3.852 9.182 1.00 0.00 O ATOM 201 CB LEU A 14 7.191 0.786 7.742 1.00 0.00 C ATOM 202 CG LEU A 14 7.209 1.660 6.472 1.00 0.00 C ATOM 203 CD1 LEU A 14 8.575 2.314 6.281 1.00 0.00 C ATOM 204 CD2 LEU A 14 6.828 0.833 5.245 1.00 0.00 C ATOM 0 H LEU A 14 6.938 -0.290 9.978 1.00 0.00 H new ATOM 0 HA LEU A 14 8.478 1.930 9.032 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.933 -0.004 7.628 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.217 0.301 7.814 1.00 0.00 H new ATOM 0 HG LEU A 14 6.470 2.452 6.594 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.563 2.925 5.379 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.801 2.943 7.142 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.338 1.542 6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.846 1.467 4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.539 0.016 5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.826 0.425 5.378 1.00 0.00 H new ATOM 216 N LEU A 15 5.214 2.334 9.457 1.00 0.00 N ATOM 217 CA LEU A 15 4.156 3.330 9.584 1.00 0.00 C ATOM 218 C LEU A 15 4.247 4.065 10.922 1.00 0.00 C ATOM 219 O LEU A 15 3.656 5.133 11.081 1.00 0.00 O ATOM 220 CB LEU A 15 2.766 2.691 9.403 1.00 0.00 C ATOM 221 CG LEU A 15 2.387 2.313 7.953 1.00 0.00 C ATOM 222 CD1 LEU A 15 2.506 3.520 7.029 1.00 0.00 C ATOM 223 CD2 LEU A 15 3.236 1.154 7.433 1.00 0.00 C ATOM 0 H LEU A 15 4.897 1.370 9.558 1.00 0.00 H new ATOM 0 HA LEU A 15 4.295 4.062 8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.716 1.793 10.018 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.016 3.382 9.787 1.00 0.00 H new ATOM 0 HG LEU A 15 1.348 1.985 7.963 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.234 3.230 6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.836 4.308 7.372 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.533 3.886 7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.941 0.917 6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.288 1.437 7.450 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.085 0.280 8.066 1.00 0.00 H new ATOM 235 N GLU A 16 4.987 3.493 11.873 1.00 0.00 N ATOM 236 CA GLU A 16 5.262 4.155 13.150 1.00 0.00 C ATOM 237 C GLU A 16 5.796 5.571 12.908 1.00 0.00 C ATOM 238 O GLU A 16 5.300 6.555 13.484 1.00 0.00 O ATOM 239 CB GLU A 16 6.289 3.339 13.952 1.00 0.00 C ATOM 240 CG GLU A 16 6.516 3.831 15.379 1.00 0.00 C ATOM 241 CD GLU A 16 5.312 3.610 16.284 1.00 0.00 C ATOM 242 OE1 GLU A 16 4.888 2.447 16.447 1.00 0.00 O ATOM 243 OE2 GLU A 16 4.794 4.593 16.854 1.00 0.00 O ATOM 0 H GLU A 16 5.409 2.569 11.783 1.00 0.00 H new ATOM 0 HA GLU A 16 4.335 4.221 13.719 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.960 2.300 13.988 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.241 3.354 13.421 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.380 3.317 15.801 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.756 4.894 15.357 1.00 0.00 H new ATOM 250 N GLN A 17 6.801 5.672 12.033 1.00 0.00 N ATOM 251 CA GLN A 17 7.386 6.966 11.704 1.00 0.00 C ATOM 252 C GLN A 17 6.356 7.833 11.006 1.00 0.00 C ATOM 253 O GLN A 17 6.240 9.012 11.309 1.00 0.00 O ATOM 254 CB GLN A 17 8.623 6.842 10.806 1.00 0.00 C ATOM 255 CG GLN A 17 9.349 8.177 10.632 1.00 0.00 C ATOM 256 CD GLN A 17 10.405 8.166 9.545 1.00 0.00 C ATOM 257 OE1 GLN A 17 11.566 7.838 9.797 1.00 0.00 O ATOM 258 NE2 GLN A 17 10.020 8.556 8.340 1.00 0.00 N ATOM 0 H GLN A 17 7.220 4.879 11.546 1.00 0.00 H new ATOM 0 HA GLN A 17 7.700 7.421 12.644 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.309 6.111 11.234 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.324 6.464 9.829 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.616 8.951 10.405 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.818 8.450 11.577 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.048 8.819 8.175 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.695 8.594 7.576 1.00 0.00 H new ATOM 267 N TRP A 18 5.611 7.233 10.078 1.00 0.00 N ATOM 268 CA TRP A 18 4.577 7.945 9.326 1.00 0.00 C ATOM 269 C TRP A 18 3.579 8.612 10.272 1.00 0.00 C ATOM 270 O TRP A 18 3.167 9.762 10.054 1.00 0.00 O ATOM 271 CB TRP A 18 3.854 6.982 8.374 1.00 0.00 C ATOM 272 CG TRP A 18 4.655 6.636 7.151 1.00 0.00 C ATOM 273 CD1 TRP A 18 5.888 6.044 7.102 1.00 0.00 C ATOM 274 CD2 TRP A 18 4.267 6.862 5.793 1.00 0.00 C ATOM 275 NE1 TRP A 18 6.288 5.903 5.794 1.00 0.00 N ATOM 276 CE2 TRP A 18 5.308 6.395 4.976 1.00 0.00 C ATOM 277 CE3 TRP A 18 3.135 7.417 5.191 1.00 0.00 C ATOM 278 CZ2 TRP A 18 5.253 6.468 3.588 1.00 0.00 C ATOM 279 CZ3 TRP A 18 3.081 7.491 3.815 1.00 0.00 C ATOM 280 CH2 TRP A 18 4.134 7.017 3.026 1.00 0.00 C ATOM 0 H TRP A 18 5.705 6.249 9.828 1.00 0.00 H new ATOM 0 HA TRP A 18 5.058 8.725 8.736 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.612 6.065 8.912 1.00 0.00 H new ATOM 0 HB3 TRP A 18 2.909 7.429 8.065 1.00 0.00 H new ATOM 0 HD1 TRP A 18 6.462 5.734 7.963 1.00 0.00 H new ATOM 0 HE1 TRP A 18 7.171 5.498 5.484 1.00 0.00 H new ATOM 0 HE3 TRP A 18 2.316 7.782 5.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 6.065 6.104 2.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.212 7.922 3.339 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.062 7.086 1.951 1.00 0.00 H new ATOM 291 N GLU A 19 3.201 7.890 11.325 1.00 0.00 N ATOM 292 CA GLU A 19 2.359 8.451 12.372 1.00 0.00 C ATOM 293 C GLU A 19 3.061 9.664 12.961 1.00 0.00 C ATOM 294 O GLU A 19 2.509 10.766 13.005 1.00 0.00 O ATOM 295 CB GLU A 19 2.084 7.412 13.471 1.00 0.00 C ATOM 296 CG GLU A 19 1.324 6.179 12.994 1.00 0.00 C ATOM 297 CD GLU A 19 1.057 5.189 14.120 1.00 0.00 C ATOM 298 OE1 GLU A 19 0.077 5.385 14.869 1.00 0.00 O ATOM 299 OE2 GLU A 19 1.828 4.217 14.272 1.00 0.00 O ATOM 0 H GLU A 19 3.466 6.916 11.473 1.00 0.00 H new ATOM 0 HA GLU A 19 1.400 8.744 11.945 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.034 7.095 13.901 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.516 7.888 14.270 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.376 6.488 12.553 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.895 5.685 12.208 1.00 0.00 H new ATOM 306 N LYS A 20 4.313 9.459 13.362 1.00 0.00 N ATOM 307 CA LYS A 20 5.112 10.537 13.925 1.00 0.00 C ATOM 308 C LYS A 20 5.320 11.658 12.900 1.00 0.00 C ATOM 309 O LYS A 20 5.472 12.815 13.274 1.00 0.00 O ATOM 310 CB LYS A 20 6.471 10.009 14.417 1.00 0.00 C ATOM 311 CG LYS A 20 7.330 11.075 15.094 1.00 0.00 C ATOM 312 CD LYS A 20 8.685 10.533 15.546 1.00 0.00 C ATOM 313 CE LYS A 20 9.561 11.643 16.120 1.00 0.00 C ATOM 314 NZ LYS A 20 10.898 11.150 16.546 1.00 0.00 N ATOM 0 H LYS A 20 4.792 8.560 13.307 1.00 0.00 H new ATOM 0 HA LYS A 20 4.568 10.945 14.777 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.302 9.191 15.117 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.019 9.596 13.570 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.486 11.904 14.404 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.796 11.474 15.956 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.537 9.758 16.298 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.192 10.066 14.702 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.687 12.425 15.372 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.056 12.096 16.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 11.454 11.941 16.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.782 10.422 17.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.394 10.741 15.728 1.00 0.00 H new ATOM 328 N ASP A 21 5.299 11.318 11.609 1.00 0.00 N ATOM 329 CA ASP A 21 5.540 12.297 10.546 1.00 0.00 C ATOM 330 C ASP A 21 4.402 13.299 10.483 1.00 0.00 C ATOM 331 O ASP A 21 4.633 14.512 10.467 1.00 0.00 O ATOM 332 CB ASP A 21 5.727 11.625 9.169 1.00 0.00 C ATOM 333 CG ASP A 21 7.108 10.994 8.990 1.00 0.00 C ATOM 334 OD1 ASP A 21 8.118 11.666 9.296 1.00 0.00 O ATOM 335 OD2 ASP A 21 7.189 9.835 8.527 1.00 0.00 O ATOM 0 H ASP A 21 5.117 10.372 11.274 1.00 0.00 H new ATOM 0 HA ASP A 21 6.468 12.815 10.789 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.964 10.857 9.040 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.569 12.366 8.386 1.00 0.00 H new ATOM 340 N ASP A 22 3.163 12.804 10.458 1.00 0.00 N ATOM 341 CA ASP A 22 2.012 13.705 10.413 1.00 0.00 C ATOM 342 C ASP A 22 1.832 14.397 11.771 1.00 0.00 C ATOM 343 O ASP A 22 1.297 15.509 11.844 1.00 0.00 O ATOM 344 CB ASP A 22 0.727 12.986 9.958 1.00 0.00 C ATOM 345 CG ASP A 22 0.121 12.059 10.998 1.00 0.00 C ATOM 346 OD1 ASP A 22 -0.727 12.525 11.787 1.00 0.00 O ATOM 347 OD2 ASP A 22 0.447 10.855 10.987 1.00 0.00 O ATOM 0 H ASP A 22 2.934 11.810 10.468 1.00 0.00 H new ATOM 0 HA ASP A 22 2.211 14.470 9.662 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.015 13.735 9.681 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.947 12.409 9.060 1.00 0.00 H new ATOM 352 N ASP A 23 2.309 13.747 12.843 1.00 0.00 N ATOM 353 CA ASP A 23 2.371 14.380 14.168 1.00 0.00 C ATOM 354 C ASP A 23 3.291 15.599 14.133 1.00 0.00 C ATOM 355 O ASP A 23 2.898 16.709 14.501 1.00 0.00 O ATOM 356 CB ASP A 23 2.885 13.400 15.237 1.00 0.00 C ATOM 357 CG ASP A 23 1.840 12.403 15.715 1.00 0.00 C ATOM 358 OD1 ASP A 23 0.736 12.832 16.111 1.00 0.00 O ATOM 359 OD2 ASP A 23 2.127 11.186 15.736 1.00 0.00 O ATOM 0 H ASP A 23 2.656 12.788 12.819 1.00 0.00 H new ATOM 0 HA ASP A 23 1.358 14.686 14.428 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.737 12.853 14.834 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.248 13.969 16.093 1.00 0.00 H new ATOM 364 N ILE A 24 4.526 15.378 13.680 1.00 0.00 N ATOM 365 CA ILE A 24 5.524 16.441 13.580 1.00 0.00 C ATOM 366 C ILE A 24 5.017 17.547 12.663 1.00 0.00 C ATOM 367 O ILE A 24 5.267 18.734 12.896 1.00 0.00 O ATOM 368 CB ILE A 24 6.879 15.905 13.039 1.00 0.00 C ATOM 369 CG1 ILE A 24 7.464 14.852 13.993 1.00 0.00 C ATOM 370 CG2 ILE A 24 7.873 17.045 12.830 1.00 0.00 C ATOM 371 CD1 ILE A 24 8.758 14.228 13.501 1.00 0.00 C ATOM 0 H ILE A 24 4.860 14.464 13.374 1.00 0.00 H new ATOM 0 HA ILE A 24 5.688 16.835 14.583 1.00 0.00 H new ATOM 0 HB ILE A 24 6.693 15.434 12.074 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.641 15.314 14.964 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.727 14.064 14.145 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.813 16.643 12.451 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.466 17.756 12.111 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.051 17.551 13.779 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.108 13.495 14.228 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.584 13.735 12.545 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.512 15.005 13.377 1.00 0.00 H new ATOM 383 N GLU A 25 4.294 17.145 11.626 1.00 0.00 N ATOM 384 CA GLU A 25 3.709 18.085 10.684 1.00 0.00 C ATOM 385 C GLU A 25 2.694 18.981 11.394 1.00 0.00 C ATOM 386 O GLU A 25 2.656 20.190 11.169 1.00 0.00 O ATOM 387 CB GLU A 25 3.039 17.338 9.522 1.00 0.00 C ATOM 388 CG GLU A 25 3.533 17.764 8.148 1.00 0.00 C ATOM 389 CD GLU A 25 3.412 19.263 7.910 1.00 0.00 C ATOM 390 OE1 GLU A 25 2.298 19.734 7.597 1.00 0.00 O ATOM 391 OE2 GLU A 25 4.432 19.977 8.028 1.00 0.00 O ATOM 0 H GLU A 25 4.099 16.166 11.417 1.00 0.00 H new ATOM 0 HA GLU A 25 4.505 18.709 10.278 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.211 16.269 9.643 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.962 17.496 9.575 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.576 17.467 8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.965 17.233 7.383 1.00 0.00 H new ATOM 398 N GLU A 26 1.879 18.384 12.256 1.00 0.00 N ATOM 399 CA GLU A 26 0.894 19.147 13.024 1.00 0.00 C ATOM 400 C GLU A 26 1.560 19.870 14.207 1.00 0.00 C ATOM 401 O GLU A 26 0.893 20.536 15.002 1.00 0.00 O ATOM 402 CB GLU A 26 -0.254 18.234 13.493 1.00 0.00 C ATOM 403 CG GLU A 26 -1.470 18.998 14.017 1.00 0.00 C ATOM 404 CD GLU A 26 -2.710 18.127 14.154 1.00 0.00 C ATOM 405 OE1 GLU A 26 -2.885 17.490 15.213 1.00 0.00 O ATOM 406 OE2 GLU A 26 -3.524 18.091 13.201 1.00 0.00 O ATOM 0 H GLU A 26 1.878 17.381 12.442 1.00 0.00 H new ATOM 0 HA GLU A 26 0.467 19.910 12.374 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.564 17.599 12.663 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.116 17.574 14.278 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.229 19.431 14.988 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.688 19.827 13.344 1.00 0.00 H new ATOM 413 N GLY A 27 2.885 19.750 14.301 1.00 0.00 N ATOM 414 CA GLY A 27 3.651 20.513 15.277 1.00 0.00 C ATOM 415 C GLY A 27 3.720 19.866 16.648 1.00 0.00 C ATOM 416 O GLY A 27 3.402 20.505 17.658 1.00 0.00 O ATOM 0 H GLY A 27 3.445 19.133 13.713 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.664 20.652 14.900 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.209 21.504 15.376 1.00 0.00 H new ATOM 420 N ASP A 28 4.140 18.604 16.701 1.00 0.00 N ATOM 421 CA ASP A 28 4.337 17.917 17.976 1.00 0.00 C ATOM 422 C ASP A 28 5.284 16.730 17.822 1.00 0.00 C ATOM 423 O ASP A 28 5.194 15.975 16.855 1.00 0.00 O ATOM 424 CB ASP A 28 2.993 17.449 18.553 1.00 0.00 C ATOM 425 CG ASP A 28 3.148 16.726 19.884 1.00 0.00 C ATOM 426 OD1 ASP A 28 3.758 17.303 20.814 1.00 0.00 O ATOM 427 OD2 ASP A 28 2.639 15.593 20.017 1.00 0.00 O ATOM 0 H ASP A 28 4.350 18.038 15.879 1.00 0.00 H new ATOM 0 HA ASP A 28 4.789 18.627 18.669 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.339 18.311 18.686 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.506 16.786 17.838 1.00 0.00 H new ATOM 432 N LEU A 29 6.209 16.593 18.771 1.00 0.00 N ATOM 433 CA LEU A 29 7.131 15.460 18.805 1.00 0.00 C ATOM 434 C LEU A 29 6.650 14.457 19.858 1.00 0.00 C ATOM 435 O LEU A 29 6.892 14.647 21.051 1.00 0.00 O ATOM 436 CB LEU A 29 8.564 15.922 19.141 1.00 0.00 C ATOM 437 CG LEU A 29 9.235 16.887 18.139 1.00 0.00 C ATOM 438 CD1 LEU A 29 9.216 16.311 16.728 1.00 0.00 C ATOM 439 CD2 LEU A 29 8.586 18.272 18.176 1.00 0.00 C ATOM 0 H LEU A 29 6.340 17.259 19.532 1.00 0.00 H new ATOM 0 HA LEU A 29 7.149 14.991 17.821 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.545 16.405 20.118 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.194 15.037 19.235 1.00 0.00 H new ATOM 0 HG LEU A 29 10.276 17.003 18.441 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.695 17.011 16.043 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.755 15.364 16.714 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.185 16.146 16.416 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.082 18.926 17.459 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.530 18.186 17.918 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.682 18.692 19.177 1.00 0.00 H new ATOM 451 N LEU A 62 -5.321 8.076 4.602 1.00 0.00 N ATOM 452 CA LEU A 62 -5.560 6.730 4.066 1.00 0.00 C ATOM 453 C LEU A 62 -4.267 6.025 3.635 1.00 0.00 C ATOM 454 O LEU A 62 -3.448 6.570 2.885 1.00 0.00 O ATOM 455 CB LEU A 62 -6.546 6.807 2.880 1.00 0.00 C ATOM 456 CG LEU A 62 -7.607 5.687 2.817 1.00 0.00 C ATOM 457 CD1 LEU A 62 -8.536 5.888 1.625 1.00 0.00 C ATOM 458 CD2 LEU A 62 -6.962 4.305 2.763 1.00 0.00 C ATOM 0 HA LEU A 62 -5.991 6.134 4.870 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -7.060 7.767 2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.973 6.791 1.953 1.00 0.00 H new ATOM 0 HG LEU A 62 -8.197 5.744 3.732 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.275 5.087 1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.044 6.848 1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.954 5.873 0.703 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -7.739 3.542 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.332 4.232 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.353 4.152 3.654 1.00 0.00 H new ATOM 470 N MET A 63 -4.117 4.791 4.117 1.00 0.00 N ATOM 471 CA MET A 63 -3.048 3.893 3.695 1.00 0.00 C ATOM 472 C MET A 63 -3.634 2.497 3.479 1.00 0.00 C ATOM 473 O MET A 63 -4.321 1.960 4.352 1.00 0.00 O ATOM 474 CB MET A 63 -1.915 3.865 4.732 1.00 0.00 C ATOM 475 CG MET A 63 -2.359 3.488 6.140 1.00 0.00 C ATOM 476 SD MET A 63 -1.026 3.625 7.347 1.00 0.00 S ATOM 477 CE MET A 63 -0.566 5.346 7.154 1.00 0.00 C ATOM 0 H MET A 63 -4.740 4.386 4.816 1.00 0.00 H new ATOM 0 HA MET A 63 -2.618 4.251 2.760 1.00 0.00 H new ATOM 0 HB2 MET A 63 -1.155 3.157 4.402 1.00 0.00 H new ATOM 0 HB3 MET A 63 -1.444 4.847 4.764 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.185 4.132 6.441 1.00 0.00 H new ATOM 0 HG3 MET A 63 -2.737 2.466 6.136 1.00 0.00 H new ATOM 0 HE1 MET A 63 -0.042 5.685 8.048 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.087 5.453 6.288 1.00 0.00 H new ATOM 0 HE3 MET A 63 -1.463 5.948 7.009 1.00 0.00 H new ATOM 487 N MET A 64 -3.386 1.927 2.305 1.00 0.00 N ATOM 488 CA MET A 64 -3.991 0.654 1.916 1.00 0.00 C ATOM 489 C MET A 64 -2.953 -0.463 1.870 1.00 0.00 C ATOM 490 O MET A 64 -1.929 -0.348 1.192 1.00 0.00 O ATOM 491 CB MET A 64 -4.674 0.781 0.545 1.00 0.00 C ATOM 492 CG MET A 64 -5.806 1.802 0.512 1.00 0.00 C ATOM 493 SD MET A 64 -6.677 1.838 -1.072 1.00 0.00 S ATOM 494 CE MET A 64 -7.925 3.082 -0.748 1.00 0.00 C ATOM 0 H MET A 64 -2.766 2.328 1.601 1.00 0.00 H new ATOM 0 HA MET A 64 -4.737 0.400 2.669 1.00 0.00 H new ATOM 0 HB2 MET A 64 -3.926 1.058 -0.198 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.068 -0.193 0.254 1.00 0.00 H new ATOM 0 HG2 MET A 64 -6.517 1.574 1.306 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.401 2.792 0.721 1.00 0.00 H new ATOM 0 HE1 MET A 64 -8.909 2.614 -0.728 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.728 3.553 0.215 1.00 0.00 H new ATOM 0 HE3 MET A 64 -7.899 3.837 -1.534 1.00 0.00 H new ATOM 504 N PHE A 65 -3.228 -1.538 2.602 1.00 0.00 N ATOM 505 CA PHE A 65 -2.401 -2.740 2.567 1.00 0.00 C ATOM 506 C PHE A 65 -3.107 -3.795 1.723 1.00 0.00 C ATOM 507 O PHE A 65 -4.102 -4.385 2.154 1.00 0.00 O ATOM 508 CB PHE A 65 -2.150 -3.266 3.989 1.00 0.00 C ATOM 509 CG PHE A 65 -1.406 -2.290 4.870 1.00 0.00 C ATOM 510 CD1 PHE A 65 -2.053 -1.191 5.417 1.00 0.00 C ATOM 511 CD2 PHE A 65 -0.058 -2.472 5.150 1.00 0.00 C ATOM 512 CE1 PHE A 65 -1.373 -0.298 6.223 1.00 0.00 C ATOM 513 CE2 PHE A 65 0.623 -1.581 5.954 1.00 0.00 C ATOM 514 CZ PHE A 65 -0.034 -0.493 6.491 1.00 0.00 C ATOM 0 H PHE A 65 -4.027 -1.601 3.234 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.433 -2.505 2.125 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.107 -3.506 4.453 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.583 -4.195 3.929 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.101 -1.032 5.210 1.00 0.00 H new ATOM 0 HD2 PHE A 65 0.464 -3.321 4.733 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.890 0.552 6.643 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.671 -1.735 6.163 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.499 0.205 7.120 1.00 0.00 H new ATOM 524 N VAL A 66 -2.617 -4.007 0.508 1.00 0.00 N ATOM 525 CA VAL A 66 -3.301 -4.858 -0.454 1.00 0.00 C ATOM 526 C VAL A 66 -2.704 -6.264 -0.472 1.00 0.00 C ATOM 527 O VAL A 66 -1.605 -6.472 -0.989 1.00 0.00 O ATOM 528 CB VAL A 66 -3.223 -4.250 -1.875 1.00 0.00 C ATOM 529 CG1 VAL A 66 -4.098 -5.027 -2.854 1.00 0.00 C ATOM 530 CG2 VAL A 66 -3.611 -2.774 -1.850 1.00 0.00 C ATOM 0 H VAL A 66 -1.747 -3.600 0.166 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.345 -4.924 -0.146 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.192 -4.326 -2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.024 -4.578 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.762 -6.063 -2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.135 -4.997 -2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.550 -2.365 -2.858 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -4.631 -2.672 -1.478 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.930 -2.230 -1.196 1.00 0.00 H new ATOM 540 N THR A 67 -3.422 -7.215 0.112 1.00 0.00 N ATOM 541 CA THR A 67 -3.034 -8.617 0.054 1.00 0.00 C ATOM 542 C THR A 67 -3.433 -9.197 -1.303 1.00 0.00 C ATOM 543 O THR A 67 -4.612 -9.464 -1.549 1.00 0.00 O ATOM 544 CB THR A 67 -3.698 -9.428 1.190 1.00 0.00 C ATOM 545 OG1 THR A 67 -3.455 -8.786 2.452 1.00 0.00 O ATOM 546 CG2 THR A 67 -3.168 -10.861 1.235 1.00 0.00 C ATOM 0 H THR A 67 -4.281 -7.039 0.634 1.00 0.00 H new ATOM 0 HA THR A 67 -1.954 -8.684 0.181 1.00 0.00 H new ATOM 0 HB THR A 67 -4.770 -9.467 0.994 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.601 -9.427 3.179 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.655 -11.404 2.045 1.00 0.00 H new ATOM 0 HG22 THR A 67 -3.379 -11.357 0.287 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.091 -10.846 1.405 1.00 0.00 H new ATOM 554 N VAL A 68 -2.456 -9.366 -2.187 1.00 0.00 N ATOM 555 CA VAL A 68 -2.737 -9.745 -3.569 1.00 0.00 C ATOM 556 C VAL A 68 -2.610 -11.251 -3.779 1.00 0.00 C ATOM 557 O VAL A 68 -3.585 -11.926 -4.110 1.00 0.00 O ATOM 558 CB VAL A 68 -1.779 -9.025 -4.552 1.00 0.00 C ATOM 559 CG1 VAL A 68 -2.181 -9.298 -6.002 1.00 0.00 C ATOM 560 CG2 VAL A 68 -1.734 -7.526 -4.264 1.00 0.00 C ATOM 0 H VAL A 68 -1.466 -9.247 -1.974 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.765 -9.443 -3.770 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.775 -9.424 -4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.494 -8.782 -6.673 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.141 -10.370 -6.195 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.195 -8.936 -6.173 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.056 -7.041 -4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.733 -7.104 -4.374 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.381 -7.362 -3.246 1.00 0.00 H new ATOM 570 N SER A 69 -1.407 -11.769 -3.574 1.00 0.00 N ATOM 571 CA SER A 69 -1.114 -13.166 -3.866 1.00 0.00 C ATOM 572 C SER A 69 -1.320 -14.047 -2.638 1.00 0.00 C ATOM 573 O SER A 69 -2.192 -14.918 -2.618 1.00 0.00 O ATOM 574 CB SER A 69 0.323 -13.297 -4.382 1.00 0.00 C ATOM 575 OG SER A 69 0.627 -14.640 -4.715 1.00 0.00 O ATOM 0 H SER A 69 -0.616 -11.241 -3.206 1.00 0.00 H new ATOM 0 HA SER A 69 -1.806 -13.506 -4.636 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.457 -12.663 -5.258 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.019 -12.941 -3.622 1.00 0.00 H new ATOM 0 HG SER A 69 0.559 -14.760 -5.685 1.00 0.00 H new ATOM 581 N GLY A 70 -0.509 -13.806 -1.615 1.00 0.00 N ATOM 582 CA GLY A 70 -0.484 -14.680 -0.456 1.00 0.00 C ATOM 583 C GLY A 70 0.528 -15.798 -0.633 1.00 0.00 C ATOM 584 O GLY A 70 0.817 -16.545 0.302 1.00 0.00 O ATOM 0 H GLY A 70 0.135 -13.017 -1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.238 -14.101 0.434 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.475 -15.105 -0.296 1.00 0.00 H new ATOM 588 N ASN A 71 1.062 -15.908 -1.849 1.00 0.00 N ATOM 589 CA ASN A 71 2.087 -16.896 -2.169 1.00 0.00 C ATOM 590 C ASN A 71 3.473 -16.271 -1.980 1.00 0.00 C ATOM 591 O ASN A 71 3.767 -15.232 -2.573 1.00 0.00 O ATOM 592 CB ASN A 71 1.906 -17.388 -3.613 1.00 0.00 C ATOM 593 CG ASN A 71 2.879 -18.493 -3.983 1.00 0.00 C ATOM 594 OD1 ASN A 71 4.014 -18.118 -4.548 1.00 0.00 O flip ATOM 595 ND2 ASN A 71 2.605 -19.675 -3.770 1.00 0.00 N flip ATOM 0 H ASN A 71 0.796 -15.316 -2.636 1.00 0.00 H new ATOM 0 HA ASN A 71 1.993 -17.752 -1.501 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.886 -17.749 -3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.038 -16.550 -4.297 1.00 0.00 H new ATOM 0 HD21 ASN A 71 1.718 -19.922 -3.332 1.00 0.00 H new ATOM 0 HD22 ASN A 71 3.265 -20.407 -4.032 1.00 0.00 H new ATOM 602 N PRO A 72 4.346 -16.904 -1.167 1.00 0.00 N ATOM 603 CA PRO A 72 5.626 -16.307 -0.734 1.00 0.00 C ATOM 604 C PRO A 72 6.602 -16.010 -1.881 1.00 0.00 C ATOM 605 O PRO A 72 7.522 -15.204 -1.714 1.00 0.00 O ATOM 606 CB PRO A 72 6.211 -17.360 0.225 1.00 0.00 C ATOM 607 CG PRO A 72 5.540 -18.638 -0.154 1.00 0.00 C ATOM 608 CD PRO A 72 4.156 -18.253 -0.598 1.00 0.00 C ATOM 0 HA PRO A 72 5.463 -15.330 -0.278 1.00 0.00 H new ATOM 0 HB2 PRO A 72 7.293 -17.435 0.117 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.011 -17.102 1.265 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.082 -19.143 -0.954 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.503 -19.327 0.690 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.762 -18.950 -1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.454 -18.243 0.236 1.00 0.00 H new ATOM 616 N THR A 73 6.414 -16.652 -3.034 1.00 0.00 N ATOM 617 CA THR A 73 7.299 -16.436 -4.178 1.00 0.00 C ATOM 618 C THR A 73 7.150 -14.996 -4.692 1.00 0.00 C ATOM 619 O THR A 73 6.095 -14.620 -5.207 1.00 0.00 O ATOM 620 CB THR A 73 6.994 -17.441 -5.309 1.00 0.00 C ATOM 621 OG1 THR A 73 6.691 -18.725 -4.740 1.00 0.00 O ATOM 622 CG2 THR A 73 8.180 -17.582 -6.260 1.00 0.00 C ATOM 0 H THR A 73 5.662 -17.321 -3.200 1.00 0.00 H new ATOM 0 HA THR A 73 8.327 -16.594 -3.852 1.00 0.00 H new ATOM 0 HB THR A 73 6.141 -17.067 -5.874 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.728 -18.789 -4.572 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.934 -18.297 -7.045 1.00 0.00 H new ATOM 0 HG22 THR A 73 8.404 -16.614 -6.708 1.00 0.00 H new ATOM 0 HG23 THR A 73 9.050 -17.936 -5.707 1.00 0.00 H new ATOM 630 N GLU A 74 8.221 -14.210 -4.556 1.00 0.00 N ATOM 631 CA GLU A 74 8.176 -12.758 -4.774 1.00 0.00 C ATOM 632 C GLU A 74 7.755 -12.384 -6.196 1.00 0.00 C ATOM 633 O GLU A 74 7.246 -11.287 -6.425 1.00 0.00 O ATOM 634 CB GLU A 74 9.539 -12.129 -4.463 1.00 0.00 C ATOM 635 CG GLU A 74 10.008 -12.322 -3.024 1.00 0.00 C ATOM 636 CD GLU A 74 11.343 -11.644 -2.753 1.00 0.00 C ATOM 637 OE1 GLU A 74 12.360 -12.074 -3.331 1.00 0.00 O ATOM 638 OE2 GLU A 74 11.384 -10.663 -1.978 1.00 0.00 O ATOM 0 H GLU A 74 9.142 -14.559 -4.292 1.00 0.00 H new ATOM 0 HA GLU A 74 7.419 -12.366 -4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.284 -12.555 -5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 74 9.490 -11.061 -4.676 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.256 -11.923 -2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.095 -13.388 -2.813 1.00 0.00 H new ATOM 645 N LYS A 75 7.974 -13.290 -7.149 1.00 0.00 N ATOM 646 CA LYS A 75 7.634 -13.035 -8.553 1.00 0.00 C ATOM 647 C LYS A 75 6.198 -12.519 -8.701 1.00 0.00 C ATOM 648 O LYS A 75 5.900 -11.722 -9.595 1.00 0.00 O ATOM 649 CB LYS A 75 7.873 -14.305 -9.396 1.00 0.00 C ATOM 650 CG LYS A 75 7.189 -15.581 -8.880 1.00 0.00 C ATOM 651 CD LYS A 75 5.721 -15.689 -9.295 1.00 0.00 C ATOM 652 CE LYS A 75 5.556 -15.650 -10.810 1.00 0.00 C ATOM 653 NZ LYS A 75 4.134 -15.739 -11.229 1.00 0.00 N ATOM 0 H LYS A 75 8.385 -14.207 -6.977 1.00 0.00 H new ATOM 0 HA LYS A 75 8.289 -12.248 -8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.529 -14.115 -10.413 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.946 -14.486 -9.452 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.730 -16.451 -9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.255 -15.606 -7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.301 -16.617 -8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.156 -14.872 -8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.988 -14.727 -11.196 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.115 -16.474 -11.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.985 -16.616 -11.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.524 -15.743 -10.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.896 -14.921 -11.825 1.00 0.00 H new ATOM 667 N GLU A 76 5.329 -12.963 -7.799 1.00 0.00 N ATOM 668 CA GLU A 76 3.933 -12.529 -7.777 1.00 0.00 C ATOM 669 C GLU A 76 3.830 -11.013 -7.575 1.00 0.00 C ATOM 670 O GLU A 76 3.294 -10.298 -8.432 1.00 0.00 O ATOM 671 CB GLU A 76 3.172 -13.264 -6.663 1.00 0.00 C ATOM 672 CG GLU A 76 2.960 -14.751 -6.934 1.00 0.00 C ATOM 673 CD GLU A 76 1.960 -14.999 -8.053 1.00 0.00 C ATOM 674 OE1 GLU A 76 0.745 -14.841 -7.808 1.00 0.00 O ATOM 675 OE2 GLU A 76 2.379 -15.344 -9.181 1.00 0.00 O ATOM 0 H GLU A 76 5.569 -13.630 -7.066 1.00 0.00 H new ATOM 0 HA GLU A 76 3.484 -12.773 -8.740 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.719 -13.150 -5.727 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.201 -12.788 -6.525 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.914 -15.210 -7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.610 -15.237 -6.023 1.00 0.00 H new ATOM 682 N THR A 77 4.358 -10.526 -6.449 1.00 0.00 N ATOM 683 CA THR A 77 4.295 -9.101 -6.131 1.00 0.00 C ATOM 684 C THR A 77 5.060 -8.286 -7.172 1.00 0.00 C ATOM 685 O THR A 77 4.675 -7.164 -7.500 1.00 0.00 O ATOM 686 CB THR A 77 4.834 -8.783 -4.711 1.00 0.00 C ATOM 687 OG1 THR A 77 4.592 -7.407 -4.390 1.00 0.00 O ATOM 688 CG2 THR A 77 6.327 -9.073 -4.587 1.00 0.00 C ATOM 0 H THR A 77 4.831 -11.095 -5.747 1.00 0.00 H new ATOM 0 HA THR A 77 3.242 -8.821 -6.150 1.00 0.00 H new ATOM 0 HB THR A 77 4.304 -9.430 -4.012 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.786 -7.253 -3.442 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.661 -8.836 -3.577 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.511 -10.128 -4.792 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.877 -8.463 -5.304 1.00 0.00 H new ATOM 696 N GLU A 78 6.134 -8.867 -7.698 1.00 0.00 N ATOM 697 CA GLU A 78 6.915 -8.233 -8.753 1.00 0.00 C ATOM 698 C GLU A 78 6.009 -7.872 -9.933 1.00 0.00 C ATOM 699 O GLU A 78 5.872 -6.696 -10.295 1.00 0.00 O ATOM 700 CB GLU A 78 8.040 -9.168 -9.214 1.00 0.00 C ATOM 701 CG GLU A 78 8.951 -8.566 -10.278 1.00 0.00 C ATOM 702 CD GLU A 78 9.959 -9.568 -10.816 1.00 0.00 C ATOM 703 OE1 GLU A 78 10.963 -9.846 -10.121 1.00 0.00 O ATOM 704 OE2 GLU A 78 9.750 -10.089 -11.933 1.00 0.00 O ATOM 0 H GLU A 78 6.484 -9.780 -7.409 1.00 0.00 H new ATOM 0 HA GLU A 78 7.360 -7.319 -8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.643 -9.447 -8.350 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.599 -10.085 -9.605 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.344 -8.189 -11.101 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.482 -7.712 -9.857 1.00 0.00 H new ATOM 711 N GLU A 79 5.364 -8.893 -10.502 1.00 0.00 N ATOM 712 CA GLU A 79 4.481 -8.711 -11.650 1.00 0.00 C ATOM 713 C GLU A 79 3.366 -7.718 -11.335 1.00 0.00 C ATOM 714 O GLU A 79 3.185 -6.725 -12.043 1.00 0.00 O ATOM 715 CB GLU A 79 3.863 -10.051 -12.075 1.00 0.00 C ATOM 716 CG GLU A 79 4.876 -11.090 -12.538 1.00 0.00 C ATOM 717 CD GLU A 79 4.212 -12.388 -12.968 1.00 0.00 C ATOM 718 OE1 GLU A 79 3.887 -13.216 -12.093 1.00 0.00 O ATOM 719 OE2 GLU A 79 3.989 -12.581 -14.185 1.00 0.00 O ATOM 0 H GLU A 79 5.439 -9.859 -10.182 1.00 0.00 H new ATOM 0 HA GLU A 79 5.084 -8.315 -12.467 1.00 0.00 H new ATOM 0 HB2 GLU A 79 3.298 -10.459 -11.237 1.00 0.00 H new ATOM 0 HB3 GLU A 79 3.151 -9.870 -12.881 1.00 0.00 H new ATOM 0 HG2 GLU A 79 5.453 -10.686 -13.370 1.00 0.00 H new ATOM 0 HG3 GLU A 79 5.580 -11.294 -11.731 1.00 0.00 H new ATOM 726 N ILE A 80 2.627 -7.982 -10.257 1.00 0.00 N ATOM 727 CA ILE A 80 1.428 -7.207 -9.954 1.00 0.00 C ATOM 728 C ILE A 80 1.758 -5.738 -9.666 1.00 0.00 C ATOM 729 O ILE A 80 1.094 -4.835 -10.183 1.00 0.00 O ATOM 730 CB ILE A 80 0.621 -7.816 -8.775 1.00 0.00 C ATOM 731 CG1 ILE A 80 -0.716 -7.081 -8.613 1.00 0.00 C ATOM 732 CG2 ILE A 80 1.410 -7.778 -7.471 1.00 0.00 C ATOM 733 CD1 ILE A 80 -1.591 -7.153 -9.841 1.00 0.00 C ATOM 0 H ILE A 80 2.837 -8.721 -9.585 1.00 0.00 H new ATOM 0 HA ILE A 80 0.804 -7.249 -10.846 1.00 0.00 H new ATOM 0 HB ILE A 80 0.427 -8.862 -9.011 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.255 -7.505 -7.766 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -0.521 -6.035 -8.375 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.811 -8.213 -6.671 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.331 -8.349 -7.586 1.00 0.00 H new ATOM 0 HG23 ILE A 80 1.652 -6.745 -7.222 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.520 -6.613 -9.658 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.070 -6.703 -10.686 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.816 -8.195 -10.067 1.00 0.00 H new ATOM 745 N THR A 81 2.792 -5.501 -8.864 1.00 0.00 N ATOM 746 CA THR A 81 3.188 -4.143 -8.513 1.00 0.00 C ATOM 747 C THR A 81 3.720 -3.403 -9.741 1.00 0.00 C ATOM 748 O THR A 81 3.514 -2.196 -9.883 1.00 0.00 O ATOM 749 CB THR A 81 4.251 -4.139 -7.389 1.00 0.00 C ATOM 750 OG1 THR A 81 3.765 -4.891 -6.268 1.00 0.00 O ATOM 751 CG2 THR A 81 4.585 -2.717 -6.940 1.00 0.00 C ATOM 0 H THR A 81 3.369 -6.231 -8.446 1.00 0.00 H new ATOM 0 HA THR A 81 2.302 -3.626 -8.145 1.00 0.00 H new ATOM 0 HB THR A 81 5.160 -4.594 -7.782 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.950 -5.843 -6.408 1.00 0.00 H new ATOM 0 HG21 THR A 81 5.335 -2.752 -6.150 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.975 -2.151 -7.786 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.684 -2.233 -6.564 1.00 0.00 H new ATOM 759 N SER A 82 4.392 -4.131 -10.635 1.00 0.00 N ATOM 760 CA SER A 82 4.877 -3.546 -11.880 1.00 0.00 C ATOM 761 C SER A 82 3.698 -3.082 -12.741 1.00 0.00 C ATOM 762 O SER A 82 3.705 -1.971 -13.280 1.00 0.00 O ATOM 763 CB SER A 82 5.739 -4.560 -12.648 1.00 0.00 C ATOM 764 OG SER A 82 6.292 -3.987 -13.823 1.00 0.00 O ATOM 0 H SER A 82 4.610 -5.121 -10.519 1.00 0.00 H new ATOM 0 HA SER A 82 5.495 -2.680 -11.642 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.542 -4.918 -12.004 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.133 -5.426 -12.914 1.00 0.00 H new ATOM 0 HG SER A 82 6.836 -4.656 -14.288 1.00 0.00 H new ATOM 770 N LEU A 83 2.678 -3.933 -12.847 1.00 0.00 N ATOM 771 CA LEU A 83 1.480 -3.614 -13.625 1.00 0.00 C ATOM 772 C LEU A 83 0.764 -2.401 -13.034 1.00 0.00 C ATOM 773 O LEU A 83 0.354 -1.491 -13.759 1.00 0.00 O ATOM 774 CB LEU A 83 0.526 -4.819 -13.671 1.00 0.00 C ATOM 775 CG LEU A 83 1.084 -6.078 -14.357 1.00 0.00 C ATOM 776 CD1 LEU A 83 0.067 -7.215 -14.314 1.00 0.00 C ATOM 777 CD2 LEU A 83 1.496 -5.775 -15.797 1.00 0.00 C ATOM 0 H LEU A 83 2.657 -4.851 -12.403 1.00 0.00 H new ATOM 0 HA LEU A 83 1.790 -3.376 -14.643 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.245 -5.077 -12.650 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.386 -4.519 -14.187 1.00 0.00 H new ATOM 0 HG LEU A 83 1.972 -6.395 -13.810 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.484 -8.095 -14.805 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.167 -7.455 -13.277 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.843 -6.909 -14.830 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.887 -6.680 -16.262 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.629 -5.425 -16.358 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.266 -5.003 -15.800 1.00 0.00 H new ATOM 789 N TRP A 84 0.624 -2.382 -11.714 1.00 0.00 N ATOM 790 CA TRP A 84 -0.034 -1.269 -11.037 1.00 0.00 C ATOM 791 C TRP A 84 0.773 0.019 -11.197 1.00 0.00 C ATOM 792 O TRP A 84 0.209 1.070 -11.485 1.00 0.00 O ATOM 793 CB TRP A 84 -0.291 -1.596 -9.558 1.00 0.00 C ATOM 794 CG TRP A 84 -1.496 -2.478 -9.357 1.00 0.00 C ATOM 795 CD1 TRP A 84 -2.554 -2.620 -10.209 1.00 0.00 C ATOM 796 CD2 TRP A 84 -1.780 -3.313 -8.231 1.00 0.00 C ATOM 797 NE1 TRP A 84 -3.476 -3.486 -9.682 1.00 0.00 N ATOM 798 CE2 TRP A 84 -3.022 -3.929 -8.470 1.00 0.00 C ATOM 799 CE3 TRP A 84 -1.102 -3.601 -7.048 1.00 0.00 C ATOM 800 CZ2 TRP A 84 -3.601 -4.814 -7.567 1.00 0.00 C ATOM 801 CZ3 TRP A 84 -1.677 -4.479 -6.149 1.00 0.00 C ATOM 802 CH2 TRP A 84 -2.917 -5.078 -6.414 1.00 0.00 C ATOM 0 H TRP A 84 0.955 -3.120 -11.093 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.004 -1.110 -11.508 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.588 -2.088 -9.141 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -0.429 -0.668 -9.004 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -2.650 -2.121 -11.162 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -4.356 -3.756 -10.121 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -0.145 -3.147 -6.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -4.556 -5.276 -7.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -1.163 -4.708 -5.227 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.340 -5.761 -5.692 1.00 0.00 H new ATOM 813 N GLN A 85 2.088 -0.062 -11.034 1.00 0.00 N ATOM 814 CA GLN A 85 2.959 1.080 -11.319 1.00 0.00 C ATOM 815 C GLN A 85 2.824 1.491 -12.789 1.00 0.00 C ATOM 816 O GLN A 85 2.961 2.663 -13.141 1.00 0.00 O ATOM 817 CB GLN A 85 4.421 0.746 -10.984 1.00 0.00 C ATOM 818 CG GLN A 85 5.413 1.851 -11.340 1.00 0.00 C ATOM 819 CD GLN A 85 6.807 1.597 -10.794 1.00 0.00 C ATOM 820 OE1 GLN A 85 7.136 2.025 -9.685 1.00 0.00 O ATOM 821 NE2 GLN A 85 7.624 0.883 -11.550 1.00 0.00 N ATOM 0 H GLN A 85 2.575 -0.897 -10.709 1.00 0.00 H new ATOM 0 HA GLN A 85 2.651 1.917 -10.692 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.498 0.534 -9.918 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.704 -0.165 -11.512 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.466 1.948 -12.424 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.045 2.801 -10.952 1.00 0.00 H new ATOM 0 HE21 GLN A 85 7.313 0.548 -12.462 1.00 0.00 H new ATOM 0 HE22 GLN A 85 8.565 0.668 -11.221 1.00 0.00 H new ATOM 830 N GLY A 86 2.521 0.506 -13.625 1.00 0.00 N ATOM 831 CA GLY A 86 2.328 0.748 -15.043 1.00 0.00 C ATOM 832 C GLY A 86 0.971 1.354 -15.344 1.00 0.00 C ATOM 833 O GLY A 86 0.806 2.047 -16.345 1.00 0.00 O ATOM 0 H GLY A 86 2.404 -0.467 -13.342 1.00 0.00 H new ATOM 0 HA2 GLY A 86 3.110 1.416 -15.405 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.433 -0.191 -15.587 1.00 0.00 H new ATOM 837 N SER A 87 -0.002 1.094 -14.475 1.00 0.00 N ATOM 838 CA SER A 87 -1.373 1.559 -14.685 1.00 0.00 C ATOM 839 C SER A 87 -1.660 2.875 -13.945 1.00 0.00 C ATOM 840 O SER A 87 -2.059 3.862 -14.564 1.00 0.00 O ATOM 841 CB SER A 87 -2.351 0.471 -14.239 1.00 0.00 C ATOM 842 OG SER A 87 -2.113 -0.739 -14.941 1.00 0.00 O ATOM 0 H SER A 87 0.133 0.562 -13.615 1.00 0.00 H new ATOM 0 HA SER A 87 -1.502 1.760 -15.749 1.00 0.00 H new ATOM 0 HB2 SER A 87 -2.249 0.301 -13.167 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.375 0.802 -14.413 1.00 0.00 H new ATOM 0 HG SER A 87 -1.269 -1.133 -14.637 1.00 0.00 H new ATOM 848 N LEU A 88 -1.451 2.891 -12.629 1.00 0.00 N ATOM 849 CA LEU A 88 -1.780 4.062 -11.804 1.00 0.00 C ATOM 850 C LEU A 88 -1.062 5.318 -12.298 1.00 0.00 C ATOM 851 O LEU A 88 -1.683 6.364 -12.486 1.00 0.00 O ATOM 852 CB LEU A 88 -1.446 3.808 -10.320 1.00 0.00 C ATOM 853 CG LEU A 88 -2.454 2.930 -9.550 1.00 0.00 C ATOM 854 CD1 LEU A 88 -2.509 1.516 -10.112 1.00 0.00 C ATOM 855 CD2 LEU A 88 -2.118 2.897 -8.063 1.00 0.00 C ATOM 0 H LEU A 88 -1.056 2.108 -12.108 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.854 4.227 -11.896 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -0.464 3.338 -10.263 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.369 4.770 -9.814 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.439 3.378 -9.676 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.229 0.927 -9.545 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.813 1.552 -11.158 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.524 1.056 -10.036 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.842 2.272 -7.540 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.118 2.487 -7.925 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.154 3.909 -7.659 1.00 0.00 H new ATOM 867 N PHE A 89 0.244 5.212 -12.518 1.00 0.00 N ATOM 868 CA PHE A 89 1.034 6.350 -12.983 1.00 0.00 C ATOM 869 C PHE A 89 0.701 6.683 -14.438 1.00 0.00 C ATOM 870 O PHE A 89 0.908 7.808 -14.893 1.00 0.00 O ATOM 871 CB PHE A 89 2.530 6.067 -12.804 1.00 0.00 C ATOM 872 CG PHE A 89 2.934 5.947 -11.352 1.00 0.00 C ATOM 873 CD1 PHE A 89 3.320 7.068 -10.627 1.00 0.00 C ATOM 874 CD2 PHE A 89 2.918 4.716 -10.708 1.00 0.00 C ATOM 875 CE1 PHE A 89 3.681 6.962 -9.297 1.00 0.00 C ATOM 876 CE2 PHE A 89 3.279 4.608 -9.377 1.00 0.00 C ATOM 877 CZ PHE A 89 3.662 5.731 -8.671 1.00 0.00 C ATOM 0 H PHE A 89 0.778 4.353 -12.383 1.00 0.00 H new ATOM 0 HA PHE A 89 0.780 7.221 -12.379 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.785 5.144 -13.325 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.105 6.866 -13.271 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.338 8.034 -11.109 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.620 3.833 -11.253 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.978 7.843 -8.747 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.261 3.644 -8.890 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.946 5.647 -7.632 1.00 0.00 H new ATOM 887 N ASN A 90 0.156 5.702 -15.152 1.00 0.00 N ATOM 888 CA ASN A 90 -0.324 5.909 -16.518 1.00 0.00 C ATOM 889 C ASN A 90 -1.621 6.715 -16.493 1.00 0.00 C ATOM 890 O ASN A 90 -1.874 7.545 -17.367 1.00 0.00 O ATOM 891 CB ASN A 90 -0.541 4.557 -17.209 1.00 0.00 C ATOM 892 CG ASN A 90 -1.115 4.669 -18.611 1.00 0.00 C ATOM 893 OD1 ASN A 90 -0.901 5.656 -19.316 1.00 0.00 O ATOM 894 ND2 ASN A 90 -1.839 3.643 -19.027 1.00 0.00 N ATOM 0 H ASN A 90 0.035 4.750 -14.806 1.00 0.00 H new ATOM 0 HA ASN A 90 0.423 6.468 -17.082 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.411 4.028 -17.258 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.212 3.952 -16.599 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.244 3.651 -19.963 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -1.993 2.844 -18.412 1.00 0.00 H new ATOM 901 N ALA A 91 -2.431 6.473 -15.465 1.00 0.00 N ATOM 902 CA ALA A 91 -3.673 7.214 -15.253 1.00 0.00 C ATOM 903 C ALA A 91 -3.412 8.468 -14.417 1.00 0.00 C ATOM 904 O ALA A 91 -4.346 9.163 -14.010 1.00 0.00 O ATOM 905 CB ALA A 91 -4.711 6.323 -14.575 1.00 0.00 C ATOM 0 H ALA A 91 -2.247 5.761 -14.758 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.063 7.524 -16.222 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -5.631 6.887 -14.423 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.916 5.458 -15.206 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -4.328 5.987 -13.611 1.00 0.00 H new ATOM 911 N ASN A 92 -2.128 8.736 -14.174 1.00 0.00 N ATOM 912 CA ASN A 92 -1.678 9.903 -13.413 1.00 0.00 C ATOM 913 C ASN A 92 -2.124 9.824 -11.950 1.00 0.00 C ATOM 914 O ASN A 92 -3.022 10.548 -11.518 1.00 0.00 O ATOM 915 CB ASN A 92 -2.165 11.216 -14.054 1.00 0.00 C ATOM 916 CG ASN A 92 -1.649 12.463 -13.338 1.00 0.00 C ATOM 917 OD1 ASN A 92 -0.408 12.422 -12.863 1.00 0.00 O flip ATOM 918 ND2 ASN A 92 -2.354 13.467 -13.235 1.00 0.00 N flip ATOM 0 H ASN A 92 -1.365 8.144 -14.502 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.588 9.898 -13.436 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -1.845 11.245 -15.096 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.255 11.230 -14.055 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.302 13.465 -13.611 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -1.990 14.301 -12.774 1.00 0.00 H new ATOM 925 N TYR A 93 -1.513 8.900 -11.210 1.00 0.00 N ATOM 926 CA TYR A 93 -1.688 8.809 -9.761 1.00 0.00 C ATOM 927 C TYR A 93 -0.319 8.727 -9.092 1.00 0.00 C ATOM 928 O TYR A 93 0.272 7.646 -9.008 1.00 0.00 O ATOM 929 CB TYR A 93 -2.517 7.572 -9.364 1.00 0.00 C ATOM 930 CG TYR A 93 -3.932 7.539 -9.919 1.00 0.00 C ATOM 931 CD1 TYR A 93 -4.740 8.670 -9.909 1.00 0.00 C ATOM 932 CD2 TYR A 93 -4.460 6.364 -10.444 1.00 0.00 C ATOM 933 CE1 TYR A 93 -6.029 8.632 -10.406 1.00 0.00 C ATOM 934 CE2 TYR A 93 -5.748 6.320 -10.939 1.00 0.00 C ATOM 935 CZ TYR A 93 -6.528 7.454 -10.918 1.00 0.00 C ATOM 936 OH TYR A 93 -7.813 7.409 -11.409 1.00 0.00 O ATOM 0 H TYR A 93 -0.885 8.195 -11.596 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.224 9.699 -9.431 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.991 6.678 -9.699 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.569 7.522 -8.276 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.354 9.594 -9.506 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.852 5.471 -10.465 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.642 9.521 -10.393 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.142 5.399 -11.341 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.008 6.505 -11.733 1.00 0.00 H new ATOM 946 N ASP A 94 0.199 9.868 -8.644 1.00 0.00 N ATOM 947 CA ASP A 94 1.514 9.907 -8.004 1.00 0.00 C ATOM 948 C ASP A 94 1.376 9.554 -6.522 1.00 0.00 C ATOM 949 O ASP A 94 1.474 10.413 -5.640 1.00 0.00 O ATOM 950 CB ASP A 94 2.178 11.284 -8.186 1.00 0.00 C ATOM 951 CG ASP A 94 3.680 11.252 -7.921 1.00 0.00 C ATOM 952 OD1 ASP A 94 4.421 10.685 -8.754 1.00 0.00 O ATOM 953 OD2 ASP A 94 4.134 11.806 -6.896 1.00 0.00 O ATOM 0 H ASP A 94 -0.267 10.773 -8.711 1.00 0.00 H new ATOM 0 HA ASP A 94 2.159 9.170 -8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 94 2.000 11.638 -9.202 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.709 12.001 -7.512 1.00 0.00 H new ATOM 958 N VAL A 95 1.089 8.280 -6.274 1.00 0.00 N ATOM 959 CA VAL A 95 0.895 7.757 -4.921 1.00 0.00 C ATOM 960 C VAL A 95 2.194 7.141 -4.406 1.00 0.00 C ATOM 961 O VAL A 95 3.138 6.945 -5.177 1.00 0.00 O ATOM 962 CB VAL A 95 -0.230 6.687 -4.898 1.00 0.00 C ATOM 963 CG1 VAL A 95 -1.549 7.283 -5.387 1.00 0.00 C ATOM 964 CG2 VAL A 95 0.162 5.469 -5.738 1.00 0.00 C ATOM 0 H VAL A 95 0.984 7.577 -7.006 1.00 0.00 H new ATOM 0 HA VAL A 95 0.603 8.586 -4.276 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.367 6.357 -3.868 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.325 6.518 -5.364 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.836 8.111 -4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.428 7.646 -6.408 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.641 4.732 -5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.332 5.778 -6.769 1.00 0.00 H new ATOM 0 HG23 VAL A 95 1.074 5.028 -5.336 1.00 0.00 H new ATOM 974 N GLN A 96 2.249 6.813 -3.114 1.00 0.00 N ATOM 975 CA GLN A 96 3.453 6.205 -2.555 1.00 0.00 C ATOM 976 C GLN A 96 3.252 4.704 -2.403 1.00 0.00 C ATOM 977 O GLN A 96 2.541 4.248 -1.509 1.00 0.00 O ATOM 978 CB GLN A 96 3.822 6.834 -1.203 1.00 0.00 C ATOM 979 CG GLN A 96 5.200 6.414 -0.678 1.00 0.00 C ATOM 980 CD GLN A 96 6.352 6.942 -1.529 1.00 0.00 C ATOM 981 OE1 GLN A 96 6.219 7.143 -2.735 1.00 0.00 O ATOM 982 NE2 GLN A 96 7.499 7.174 -0.907 1.00 0.00 N ATOM 0 H GLN A 96 1.489 6.955 -2.448 1.00 0.00 H new ATOM 0 HA GLN A 96 4.278 6.390 -3.243 1.00 0.00 H new ATOM 0 HB2 GLN A 96 3.796 7.919 -1.299 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.065 6.561 -0.468 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.317 6.773 0.344 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.252 5.326 -0.642 1.00 0.00 H new ATOM 0 HE21 GLN A 96 7.581 6.998 0.094 1.00 0.00 H new ATOM 0 HE22 GLN A 96 8.300 7.528 -1.430 1.00 0.00 H new ATOM 991 N ARG A 97 3.869 3.943 -3.300 1.00 0.00 N ATOM 992 CA ARG A 97 3.737 2.489 -3.297 1.00 0.00 C ATOM 993 C ARG A 97 5.060 1.840 -2.908 1.00 0.00 C ATOM 994 O ARG A 97 6.128 2.289 -3.342 1.00 0.00 O ATOM 995 CB ARG A 97 3.267 1.974 -4.679 1.00 0.00 C ATOM 996 CG ARG A 97 4.363 1.854 -5.746 1.00 0.00 C ATOM 997 CD ARG A 97 5.011 3.195 -6.084 1.00 0.00 C ATOM 998 NE ARG A 97 6.133 3.046 -7.018 1.00 0.00 N ATOM 999 CZ ARG A 97 7.423 3.083 -6.662 1.00 0.00 C ATOM 1000 NH1 ARG A 97 7.767 3.151 -5.379 1.00 0.00 N ATOM 1001 NH2 ARG A 97 8.368 3.010 -7.590 1.00 0.00 N ATOM 0 H ARG A 97 4.467 4.309 -4.041 1.00 0.00 H new ATOM 0 HA ARG A 97 2.982 2.215 -2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 97 2.806 0.996 -4.545 1.00 0.00 H new ATOM 0 HB3 ARG A 97 2.492 2.643 -5.053 1.00 0.00 H new ATOM 0 HG2 ARG A 97 5.130 1.163 -5.396 1.00 0.00 H new ATOM 0 HG3 ARG A 97 3.936 1.424 -6.652 1.00 0.00 H new ATOM 0 HD2 ARG A 97 4.264 3.859 -6.519 1.00 0.00 H new ATOM 0 HD3 ARG A 97 5.363 3.668 -5.167 1.00 0.00 H new ATOM 0 HE ARG A 97 5.915 2.905 -8.004 1.00 0.00 H new ATOM 0 HH11 ARG A 97 7.046 3.175 -4.658 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.752 3.179 -5.116 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.111 2.926 -8.574 1.00 0.00 H new ATOM 0 HH22 ARG A 97 9.351 3.038 -7.320 1.00 0.00 H new ATOM 1015 N PHE A 98 4.987 0.806 -2.082 1.00 0.00 N ATOM 1016 CA PHE A 98 6.161 0.031 -1.694 1.00 0.00 C ATOM 1017 C PHE A 98 5.884 -1.459 -1.887 1.00 0.00 C ATOM 1018 O PHE A 98 4.728 -1.909 -1.782 1.00 0.00 O ATOM 1019 CB PHE A 98 6.567 0.323 -0.241 1.00 0.00 C ATOM 1020 CG PHE A 98 7.124 1.710 -0.020 1.00 0.00 C ATOM 1021 CD1 PHE A 98 8.059 2.248 -0.895 1.00 0.00 C ATOM 1022 CD2 PHE A 98 6.716 2.472 1.064 1.00 0.00 C ATOM 1023 CE1 PHE A 98 8.572 3.514 -0.691 1.00 0.00 C ATOM 1024 CE2 PHE A 98 7.229 3.739 1.272 1.00 0.00 C ATOM 1025 CZ PHE A 98 8.157 4.260 0.395 1.00 0.00 C ATOM 0 H PHE A 98 4.116 0.480 -1.662 1.00 0.00 H new ATOM 0 HA PHE A 98 6.994 0.324 -2.333 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.697 0.186 0.402 1.00 0.00 H new ATOM 0 HB3 PHE A 98 7.312 -0.409 0.070 1.00 0.00 H new ATOM 0 HD1 PHE A 98 8.389 1.669 -1.745 1.00 0.00 H new ATOM 0 HD2 PHE A 98 5.989 2.071 1.754 1.00 0.00 H new ATOM 0 HE1 PHE A 98 9.297 3.921 -1.380 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.903 4.321 2.121 1.00 0.00 H new ATOM 0 HZ PHE A 98 8.559 5.249 0.557 1.00 0.00 H new ATOM 1035 N ILE A 99 6.948 -2.209 -2.163 1.00 0.00 N ATOM 1036 CA ILE A 99 6.837 -3.608 -2.554 1.00 0.00 C ATOM 1037 C ILE A 99 7.783 -4.494 -1.736 1.00 0.00 C ATOM 1038 O ILE A 99 8.972 -4.623 -2.037 1.00 0.00 O ATOM 1039 CB ILE A 99 7.104 -3.788 -4.076 1.00 0.00 C ATOM 1040 CG1 ILE A 99 7.125 -5.282 -4.453 1.00 0.00 C ATOM 1041 CG2 ILE A 99 8.401 -3.091 -4.495 1.00 0.00 C ATOM 1042 CD1 ILE A 99 7.368 -5.542 -5.925 1.00 0.00 C ATOM 0 H ILE A 99 7.907 -1.864 -2.122 1.00 0.00 H new ATOM 0 HA ILE A 99 5.815 -3.923 -2.346 1.00 0.00 H new ATOM 0 HB ILE A 99 6.287 -3.316 -4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.901 -5.782 -3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.174 -5.732 -4.167 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.562 -3.234 -5.564 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.328 -2.025 -4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.238 -3.517 -3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.368 -6.616 -6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.579 -5.073 -6.512 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.332 -5.124 -6.214 1.00 0.00 H new ATOM 1054 N VAL A 100 7.233 -5.093 -0.694 1.00 0.00 N ATOM 1055 CA VAL A 100 7.957 -6.036 0.145 1.00 0.00 C ATOM 1056 C VAL A 100 6.969 -7.060 0.688 1.00 0.00 C ATOM 1057 O VAL A 100 5.891 -6.690 1.142 1.00 0.00 O ATOM 1058 CB VAL A 100 8.698 -5.321 1.309 1.00 0.00 C ATOM 1059 CG1 VAL A 100 7.733 -4.470 2.138 1.00 0.00 C ATOM 1060 CG2 VAL A 100 9.434 -6.329 2.192 1.00 0.00 C ATOM 0 H VAL A 100 6.267 -4.939 -0.404 1.00 0.00 H new ATOM 0 HA VAL A 100 8.719 -6.532 -0.457 1.00 0.00 H new ATOM 0 HB VAL A 100 9.440 -4.653 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.280 -3.982 2.945 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.275 -3.714 1.500 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.956 -5.108 2.560 1.00 0.00 H new ATOM 0 HG21 VAL A 100 9.944 -5.802 2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.718 -7.034 2.615 1.00 0.00 H new ATOM 0 HG23 VAL A 100 10.166 -6.871 1.593 1.00 0.00 H new ATOM 1070 N GLY A 101 7.320 -8.341 0.617 1.00 0.00 N ATOM 1071 CA GLY A 101 6.379 -9.383 0.993 1.00 0.00 C ATOM 1072 C GLY A 101 5.401 -9.668 -0.133 1.00 0.00 C ATOM 1073 O GLY A 101 4.479 -8.893 -0.367 1.00 0.00 O ATOM 0 H GLY A 101 8.233 -8.675 0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 101 6.922 -10.294 1.247 1.00 0.00 H new ATOM 0 HA3 GLY A 101 5.832 -9.079 1.886 1.00 0.00 H new ATOM 1077 N SER A 102 5.622 -10.767 -0.851 1.00 0.00 N ATOM 1078 CA SER A 102 4.822 -11.103 -2.032 1.00 0.00 C ATOM 1079 C SER A 102 3.320 -11.118 -1.721 1.00 0.00 C ATOM 1080 O SER A 102 2.486 -10.880 -2.603 1.00 0.00 O ATOM 1081 CB SER A 102 5.264 -12.460 -2.591 1.00 0.00 C ATOM 1082 OG SER A 102 4.660 -12.728 -3.845 1.00 0.00 O ATOM 0 H SER A 102 6.353 -11.445 -0.636 1.00 0.00 H new ATOM 0 HA SER A 102 4.990 -10.329 -2.781 1.00 0.00 H new ATOM 0 HB2 SER A 102 6.349 -12.474 -2.698 1.00 0.00 H new ATOM 0 HB3 SER A 102 5.003 -13.248 -1.885 1.00 0.00 H new ATOM 0 HG SER A 102 5.184 -13.405 -4.322 1.00 0.00 H new ATOM 1088 N ASP A 103 2.981 -11.416 -0.471 1.00 0.00 N ATOM 1089 CA ASP A 103 1.595 -11.427 -0.019 1.00 0.00 C ATOM 1090 C ASP A 103 0.933 -10.054 -0.150 1.00 0.00 C ATOM 1091 O ASP A 103 -0.242 -9.965 -0.518 1.00 0.00 O ATOM 1092 CB ASP A 103 1.517 -11.917 1.437 1.00 0.00 C ATOM 1093 CG ASP A 103 2.380 -11.095 2.389 1.00 0.00 C ATOM 1094 OD1 ASP A 103 3.618 -11.100 2.210 1.00 0.00 O ATOM 1095 OD2 ASP A 103 1.828 -10.453 3.312 1.00 0.00 O ATOM 0 H ASP A 103 3.657 -11.656 0.255 1.00 0.00 H new ATOM 0 HA ASP A 103 1.048 -12.114 -0.664 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.480 -11.881 1.772 1.00 0.00 H new ATOM 0 HB3 ASP A 103 1.830 -12.960 1.481 1.00 0.00 H new ATOM 1100 N ARG A 104 1.691 -8.987 0.105 1.00 0.00 N ATOM 1101 CA ARG A 104 1.112 -7.643 0.185 1.00 0.00 C ATOM 1102 C ARG A 104 1.919 -6.593 -0.579 1.00 0.00 C ATOM 1103 O ARG A 104 3.150 -6.606 -0.592 1.00 0.00 O ATOM 1104 CB ARG A 104 0.972 -7.206 1.651 1.00 0.00 C ATOM 1105 CG ARG A 104 -0.203 -7.851 2.379 1.00 0.00 C ATOM 1106 CD ARG A 104 -0.349 -7.322 3.801 1.00 0.00 C ATOM 1107 NE ARG A 104 -1.671 -7.616 4.363 1.00 0.00 N ATOM 1108 CZ ARG A 104 -2.159 -7.049 5.468 1.00 0.00 C ATOM 1109 NH1 ARG A 104 -1.417 -6.203 6.174 1.00 0.00 N ATOM 1110 NH2 ARG A 104 -3.390 -7.335 5.877 1.00 0.00 N ATOM 0 H ARG A 104 2.699 -9.025 0.259 1.00 0.00 H new ATOM 0 HA ARG A 104 0.131 -7.707 -0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 104 1.893 -7.448 2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.859 -6.123 1.688 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -1.122 -7.661 1.825 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -0.065 -8.932 2.406 1.00 0.00 H new ATOM 0 HD2 ARG A 104 0.420 -7.765 4.433 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -0.184 -6.245 3.806 1.00 0.00 H new ATOM 0 HE ARG A 104 -2.255 -8.298 3.878 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -0.468 -5.983 5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -1.797 -5.773 7.018 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -3.965 -7.989 5.346 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -3.761 -6.900 6.722 1.00 0.00 H new ATOM 1124 N ALA A 105 1.191 -5.687 -1.222 1.00 0.00 N ATOM 1125 CA ALA A 105 1.751 -4.463 -1.784 1.00 0.00 C ATOM 1126 C ALA A 105 1.083 -3.278 -1.090 1.00 0.00 C ATOM 1127 O ALA A 105 -0.132 -3.305 -0.867 1.00 0.00 O ATOM 1128 CB ALA A 105 1.522 -4.410 -3.293 1.00 0.00 C ATOM 0 H ALA A 105 0.186 -5.782 -1.369 1.00 0.00 H new ATOM 0 HA ALA A 105 2.828 -4.431 -1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 105 1.947 -3.490 -3.693 1.00 0.00 H new ATOM 0 HB2 ALA A 105 2.003 -5.267 -3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 105 0.452 -4.436 -3.500 1.00 0.00 H new ATOM 1134 N ILE A 106 1.847 -2.250 -0.734 1.00 0.00 N ATOM 1135 CA ILE A 106 1.293 -1.155 0.071 1.00 0.00 C ATOM 1136 C ILE A 106 1.206 0.146 -0.730 1.00 0.00 C ATOM 1137 O ILE A 106 2.179 0.578 -1.353 1.00 0.00 O ATOM 1138 CB ILE A 106 2.102 -0.937 1.380 1.00 0.00 C ATOM 1139 CG1 ILE A 106 1.550 0.261 2.179 1.00 0.00 C ATOM 1140 CG2 ILE A 106 3.586 -0.754 1.083 1.00 0.00 C ATOM 1141 CD1 ILE A 106 2.263 0.501 3.495 1.00 0.00 C ATOM 0 H ILE A 106 2.831 -2.148 -0.981 1.00 0.00 H new ATOM 0 HA ILE A 106 0.280 -1.449 0.347 1.00 0.00 H new ATOM 0 HB ILE A 106 1.990 -1.831 1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.626 1.160 1.567 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.490 0.097 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.128 -0.603 2.017 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.969 -1.642 0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.724 0.115 0.439 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.818 1.359 3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 106 2.166 -0.381 4.128 1.00 0.00 H new ATOM 0 HD13 ILE A 106 3.318 0.698 3.306 1.00 0.00 H new ATOM 1153 N PHE A 107 0.016 0.749 -0.720 1.00 0.00 N ATOM 1154 CA PHE A 107 -0.238 2.021 -1.395 1.00 0.00 C ATOM 1155 C PHE A 107 -0.719 3.053 -0.379 1.00 0.00 C ATOM 1156 O PHE A 107 -1.760 2.877 0.250 1.00 0.00 O ATOM 1157 CB PHE A 107 -1.291 1.847 -2.500 1.00 0.00 C ATOM 1158 CG PHE A 107 -0.838 0.981 -3.649 1.00 0.00 C ATOM 1159 CD1 PHE A 107 -0.873 -0.403 -3.552 1.00 0.00 C ATOM 1160 CD2 PHE A 107 -0.377 1.553 -4.827 1.00 0.00 C ATOM 1161 CE1 PHE A 107 -0.455 -1.196 -4.603 1.00 0.00 C ATOM 1162 CE2 PHE A 107 0.041 0.763 -5.882 1.00 0.00 C ATOM 1163 CZ PHE A 107 0.002 -0.612 -5.769 1.00 0.00 C ATOM 0 H PHE A 107 -0.800 0.367 -0.242 1.00 0.00 H new ATOM 0 HA PHE A 107 0.689 2.365 -1.853 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.191 1.413 -2.065 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.565 2.829 -2.885 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -1.231 -0.865 -2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -0.344 2.628 -4.921 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -0.485 -2.272 -4.513 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.397 1.221 -6.793 1.00 0.00 H new ATOM 0 HZ PHE A 107 0.328 -1.231 -6.591 1.00 0.00 H new ATOM 1173 N MET A 108 0.048 4.123 -0.217 1.00 0.00 N ATOM 1174 CA MET A 108 -0.259 5.160 0.763 1.00 0.00 C ATOM 1175 C MET A 108 -0.558 6.488 0.069 1.00 0.00 C ATOM 1176 O MET A 108 0.172 6.902 -0.851 1.00 0.00 O ATOM 1177 CB MET A 108 0.910 5.302 1.745 1.00 0.00 C ATOM 1178 CG MET A 108 1.048 4.109 2.689 1.00 0.00 C ATOM 1179 SD MET A 108 2.607 4.098 3.587 1.00 0.00 S ATOM 1180 CE MET A 108 3.743 3.662 2.272 1.00 0.00 C ATOM 0 H MET A 108 0.896 4.297 -0.757 1.00 0.00 H new ATOM 0 HA MET A 108 -1.151 4.872 1.320 1.00 0.00 H new ATOM 0 HB2 MET A 108 1.836 5.422 1.183 1.00 0.00 H new ATOM 0 HB3 MET A 108 0.774 6.209 2.333 1.00 0.00 H new ATOM 0 HG2 MET A 108 0.224 4.121 3.403 1.00 0.00 H new ATOM 0 HG3 MET A 108 0.959 3.187 2.115 1.00 0.00 H new ATOM 0 HE1 MET A 108 4.708 3.389 2.700 1.00 0.00 H new ATOM 0 HE2 MET A 108 3.343 2.818 1.711 1.00 0.00 H new ATOM 0 HE3 MET A 108 3.871 4.514 1.604 1.00 0.00 H new ATOM 1190 N LEU A 109 -1.647 7.138 0.504 1.00 0.00 N ATOM 1191 CA LEU A 109 -2.112 8.384 -0.105 1.00 0.00 C ATOM 1192 C LEU A 109 -2.422 9.430 0.969 1.00 0.00 C ATOM 1193 O LEU A 109 -2.700 9.095 2.123 1.00 0.00 O ATOM 1194 CB LEU A 109 -3.393 8.157 -0.943 1.00 0.00 C ATOM 1195 CG LEU A 109 -3.305 7.132 -2.096 1.00 0.00 C ATOM 1196 CD1 LEU A 109 -3.361 5.694 -1.579 1.00 0.00 C ATOM 1197 CD2 LEU A 109 -4.422 7.375 -3.111 1.00 0.00 C ATOM 0 H LEU A 109 -2.223 6.815 1.281 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.311 8.739 -0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.188 7.840 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.696 9.115 -1.364 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.342 7.270 -2.587 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.296 5.003 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.527 5.519 -0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.300 5.534 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -4.346 6.645 -3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -5.389 7.273 -2.619 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.328 8.380 -3.522 1.00 0.00 H new ATOM 1209 N ARG A 110 -2.358 10.700 0.583 1.00 0.00 N ATOM 1210 CA ARG A 110 -2.886 11.794 1.404 1.00 0.00 C ATOM 1211 C ARG A 110 -4.190 12.300 0.784 1.00 0.00 C ATOM 1212 O ARG A 110 -4.764 13.299 1.223 1.00 0.00 O ATOM 1213 CB ARG A 110 -1.875 12.946 1.537 1.00 0.00 C ATOM 1214 CG ARG A 110 -0.601 12.578 2.297 1.00 0.00 C ATOM 1215 CD ARG A 110 0.246 13.808 2.618 1.00 0.00 C ATOM 1216 NE ARG A 110 0.610 14.560 1.413 1.00 0.00 N ATOM 1217 CZ ARG A 110 0.183 15.795 1.132 1.00 0.00 C ATOM 1218 NH1 ARG A 110 -0.613 16.441 1.979 1.00 0.00 N ATOM 1219 NH2 ARG A 110 0.552 16.380 0.003 1.00 0.00 N ATOM 0 H ARG A 110 -1.944 11.003 -0.299 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.074 11.413 2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.603 13.292 0.540 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.358 13.782 2.043 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -0.865 12.067 3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.014 11.878 1.703 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -0.304 14.459 3.298 1.00 0.00 H new ATOM 0 HD3 ARG A 110 1.152 13.497 3.138 1.00 0.00 H new ATOM 0 HE ARG A 110 1.232 14.109 0.742 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.901 15.994 2.849 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.935 17.383 1.758 1.00 0.00 H new ATOM 0 HH21 ARG A 110 1.161 15.888 -0.651 1.00 0.00 H new ATOM 0 HH22 ARG A 110 0.227 17.322 -0.213 1.00 0.00 H new ATOM 1233 N ASP A 111 -4.636 11.596 -0.255 1.00 0.00 N ATOM 1234 CA ASP A 111 -5.839 11.958 -0.999 1.00 0.00 C ATOM 1235 C ASP A 111 -7.025 11.098 -0.568 1.00 0.00 C ATOM 1236 O ASP A 111 -6.855 9.946 -0.167 1.00 0.00 O ATOM 1237 CB ASP A 111 -5.597 11.782 -2.507 1.00 0.00 C ATOM 1238 CG ASP A 111 -6.863 11.981 -3.327 1.00 0.00 C ATOM 1239 OD1 ASP A 111 -7.236 13.145 -3.583 1.00 0.00 O ATOM 1240 OD2 ASP A 111 -7.502 10.975 -3.709 1.00 0.00 O ATOM 0 H ASP A 111 -4.172 10.758 -0.604 1.00 0.00 H new ATOM 0 HA ASP A 111 -6.070 13.002 -0.786 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -4.839 12.493 -2.836 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -5.200 10.784 -2.694 1.00 0.00 H new ATOM 1245 N GLY A 112 -8.221 11.673 -0.651 1.00 0.00 N ATOM 1246 CA GLY A 112 -9.440 10.943 -0.356 1.00 0.00 C ATOM 1247 C GLY A 112 -10.482 11.133 -1.444 1.00 0.00 C ATOM 1248 O GLY A 112 -11.671 10.903 -1.227 1.00 0.00 O ATOM 0 H GLY A 112 -8.367 12.646 -0.921 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -9.213 9.882 -0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.844 11.279 0.599 1.00 0.00 H new ATOM 1252 N SER A 113 -10.029 11.560 -2.620 1.00 0.00 N ATOM 1253 CA SER A 113 -10.914 11.814 -3.750 1.00 0.00 C ATOM 1254 C SER A 113 -10.996 10.578 -4.645 1.00 0.00 C ATOM 1255 O SER A 113 -12.070 10.002 -4.826 1.00 0.00 O ATOM 1256 CB SER A 113 -10.412 13.026 -4.551 1.00 0.00 C ATOM 1257 OG SER A 113 -11.309 13.377 -5.597 1.00 0.00 O ATOM 0 H SER A 113 -9.044 11.738 -2.814 1.00 0.00 H new ATOM 0 HA SER A 113 -11.913 12.035 -3.374 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.284 13.876 -3.881 1.00 0.00 H new ATOM 0 HB3 SER A 113 -9.432 12.802 -4.973 1.00 0.00 H new ATOM 0 HG SER A 113 -10.958 14.152 -6.083 1.00 0.00 H new ATOM 1263 N TYR A 114 -9.852 10.159 -5.186 1.00 0.00 N ATOM 1264 CA TYR A 114 -9.806 8.999 -6.079 1.00 0.00 C ATOM 1265 C TYR A 114 -9.352 7.756 -5.320 1.00 0.00 C ATOM 1266 O TYR A 114 -9.115 6.702 -5.914 1.00 0.00 O ATOM 1267 CB TYR A 114 -8.897 9.262 -7.294 1.00 0.00 C ATOM 1268 CG TYR A 114 -7.439 9.552 -6.963 1.00 0.00 C ATOM 1269 CD1 TYR A 114 -6.530 8.517 -6.753 1.00 0.00 C ATOM 1270 CD2 TYR A 114 -6.971 10.860 -6.875 1.00 0.00 C ATOM 1271 CE1 TYR A 114 -5.204 8.779 -6.462 1.00 0.00 C ATOM 1272 CE2 TYR A 114 -5.646 11.129 -6.587 1.00 0.00 C ATOM 1273 CZ TYR A 114 -4.767 10.085 -6.381 1.00 0.00 C ATOM 1274 OH TYR A 114 -3.444 10.346 -6.097 1.00 0.00 O ATOM 0 H TYR A 114 -8.948 10.603 -5.023 1.00 0.00 H new ATOM 0 HA TYR A 114 -10.815 8.825 -6.454 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -8.938 8.394 -7.952 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -9.301 10.106 -7.853 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -6.867 7.493 -6.819 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -7.656 11.680 -7.035 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -4.513 7.965 -6.299 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -5.301 12.150 -6.524 1.00 0.00 H new ATOM 0 HH TYR A 114 -3.299 11.315 -6.077 1.00 0.00 H new ATOM 1284 N ALA A 115 -9.251 7.889 -3.999 1.00 0.00 N ATOM 1285 CA ALA A 115 -8.856 6.784 -3.128 1.00 0.00 C ATOM 1286 C ALA A 115 -9.758 5.564 -3.337 1.00 0.00 C ATOM 1287 O ALA A 115 -9.297 4.417 -3.324 1.00 0.00 O ATOM 1288 CB ALA A 115 -8.887 7.228 -1.670 1.00 0.00 C ATOM 0 H ALA A 115 -9.440 8.761 -3.504 1.00 0.00 H new ATOM 0 HA ALA A 115 -7.838 6.494 -3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.591 6.397 -1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -8.196 8.059 -1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.896 7.546 -1.408 1.00 0.00 H new ATOM 1294 N TRP A 116 -11.040 5.809 -3.546 1.00 0.00 N ATOM 1295 CA TRP A 116 -11.983 4.720 -3.741 1.00 0.00 C ATOM 1296 C TRP A 116 -11.838 4.142 -5.146 1.00 0.00 C ATOM 1297 O TRP A 116 -11.970 2.931 -5.340 1.00 0.00 O ATOM 1298 CB TRP A 116 -13.423 5.184 -3.463 1.00 0.00 C ATOM 1299 CG TRP A 116 -14.113 4.317 -2.455 1.00 0.00 C ATOM 1300 CD1 TRP A 116 -15.197 3.514 -2.656 1.00 0.00 C ATOM 1301 CD2 TRP A 116 -13.736 4.147 -1.083 1.00 0.00 C ATOM 1302 NE1 TRP A 116 -15.514 2.853 -1.496 1.00 0.00 N ATOM 1303 CE2 TRP A 116 -14.635 3.230 -0.513 1.00 0.00 C ATOM 1304 CE3 TRP A 116 -12.722 4.688 -0.284 1.00 0.00 C ATOM 1305 CZ2 TRP A 116 -14.549 2.837 0.822 1.00 0.00 C ATOM 1306 CZ3 TRP A 116 -12.636 4.299 1.037 1.00 0.00 C ATOM 1307 CH2 TRP A 116 -13.545 3.382 1.579 1.00 0.00 C ATOM 0 H TRP A 116 -11.450 6.742 -3.585 1.00 0.00 H new ATOM 0 HA TRP A 116 -11.756 3.928 -3.027 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -13.408 6.213 -3.105 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -13.991 5.178 -4.394 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -15.728 3.413 -3.591 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -16.280 2.189 -1.383 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -12.019 5.398 -0.694 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -15.248 2.129 1.244 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -11.856 4.708 1.662 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -13.453 3.098 2.617 1.00 0.00 H new ATOM 1318 N GLU A 117 -11.546 5.009 -6.116 1.00 0.00 N ATOM 1319 CA GLU A 117 -11.288 4.574 -7.488 1.00 0.00 C ATOM 1320 C GLU A 117 -10.110 3.602 -7.526 1.00 0.00 C ATOM 1321 O GLU A 117 -10.224 2.498 -8.064 1.00 0.00 O ATOM 1322 CB GLU A 117 -11.013 5.780 -8.398 1.00 0.00 C ATOM 1323 CG GLU A 117 -12.228 6.671 -8.618 1.00 0.00 C ATOM 1324 CD GLU A 117 -11.926 7.871 -9.502 1.00 0.00 C ATOM 1325 OE1 GLU A 117 -11.585 7.671 -10.687 1.00 0.00 O ATOM 1326 OE2 GLU A 117 -12.045 9.019 -9.022 1.00 0.00 O ATOM 0 H GLU A 117 -11.482 6.017 -5.976 1.00 0.00 H new ATOM 0 HA GLU A 117 -12.176 4.061 -7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.210 6.376 -7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.657 5.421 -9.364 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -13.027 6.083 -9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -12.597 7.020 -7.653 1.00 0.00 H new ATOM 1333 N ILE A 118 -8.983 4.009 -6.938 1.00 0.00 N ATOM 1334 CA ILE A 118 -7.800 3.153 -6.895 1.00 0.00 C ATOM 1335 C ILE A 118 -8.113 1.850 -6.157 1.00 0.00 C ATOM 1336 O ILE A 118 -7.726 0.778 -6.614 1.00 0.00 O ATOM 1337 CB ILE A 118 -6.567 3.859 -6.253 1.00 0.00 C ATOM 1338 CG1 ILE A 118 -5.379 2.886 -6.127 1.00 0.00 C ATOM 1339 CG2 ILE A 118 -6.909 4.459 -4.897 1.00 0.00 C ATOM 1340 CD1 ILE A 118 -4.181 3.466 -5.396 1.00 0.00 C ATOM 0 H ILE A 118 -8.867 4.918 -6.489 1.00 0.00 H new ATOM 0 HA ILE A 118 -7.533 2.930 -7.928 1.00 0.00 H new ATOM 0 HB ILE A 118 -6.278 4.674 -6.916 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.711 1.989 -5.605 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.068 2.577 -7.125 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -6.026 4.943 -4.480 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.704 5.195 -5.015 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -7.243 3.670 -4.223 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -3.387 2.720 -5.349 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.821 4.346 -5.929 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -4.474 3.749 -4.385 1.00 0.00 H new ATOM 1352 N LYS A 119 -8.842 1.943 -5.037 1.00 0.00 N ATOM 1353 CA LYS A 119 -9.240 0.749 -4.278 1.00 0.00 C ATOM 1354 C LYS A 119 -9.930 -0.274 -5.189 1.00 0.00 C ATOM 1355 O LYS A 119 -9.517 -1.442 -5.278 1.00 0.00 O ATOM 1356 CB LYS A 119 -10.196 1.127 -3.132 1.00 0.00 C ATOM 1357 CG LYS A 119 -10.503 -0.034 -2.184 1.00 0.00 C ATOM 1358 CD LYS A 119 -11.606 0.301 -1.174 1.00 0.00 C ATOM 1359 CE LYS A 119 -13.013 0.097 -1.745 1.00 0.00 C ATOM 1360 NZ LYS A 119 -13.338 1.047 -2.842 1.00 0.00 N ATOM 0 H LYS A 119 -9.166 2.824 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.334 0.306 -3.864 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.759 1.946 -2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -11.130 1.496 -3.556 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -10.803 -0.904 -2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.595 -0.308 -1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -11.484 -0.323 -0.289 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -11.496 1.336 -0.852 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -13.104 -0.924 -2.117 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -13.744 0.211 -0.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.288 1.442 -2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -12.640 1.818 -2.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -13.314 0.546 -3.753 1.00 0.00 H new ATOM 1374 N ASP A 120 -10.978 0.180 -5.876 1.00 0.00 N ATOM 1375 CA ASP A 120 -11.761 -0.690 -6.751 1.00 0.00 C ATOM 1376 C ASP A 120 -10.922 -1.177 -7.923 1.00 0.00 C ATOM 1377 O ASP A 120 -11.120 -2.286 -8.413 1.00 0.00 O ATOM 1378 CB ASP A 120 -13.026 0.019 -7.256 1.00 0.00 C ATOM 1379 CG ASP A 120 -14.104 0.113 -6.187 1.00 0.00 C ATOM 1380 OD1 ASP A 120 -14.008 1.000 -5.316 1.00 0.00 O ATOM 1381 OD2 ASP A 120 -15.055 -0.704 -6.211 1.00 0.00 O ATOM 0 H ASP A 120 -11.304 1.146 -5.843 1.00 0.00 H new ATOM 0 HA ASP A 120 -12.070 -1.555 -6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -12.766 1.022 -7.595 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -13.420 -0.518 -8.119 1.00 0.00 H new ATOM 1386 N PHE A 121 -9.970 -0.357 -8.357 1.00 0.00 N ATOM 1387 CA PHE A 121 -9.067 -0.751 -9.430 1.00 0.00 C ATOM 1388 C PHE A 121 -8.211 -1.932 -8.974 1.00 0.00 C ATOM 1389 O PHE A 121 -8.040 -2.911 -9.703 1.00 0.00 O ATOM 1390 CB PHE A 121 -8.176 0.429 -9.845 1.00 0.00 C ATOM 1391 CG PHE A 121 -7.133 0.062 -10.870 1.00 0.00 C ATOM 1392 CD1 PHE A 121 -7.456 0.004 -12.219 1.00 0.00 C ATOM 1393 CD2 PHE A 121 -5.833 -0.238 -10.485 1.00 0.00 C ATOM 1394 CE1 PHE A 121 -6.506 -0.345 -13.158 1.00 0.00 C ATOM 1395 CE2 PHE A 121 -4.882 -0.586 -11.420 1.00 0.00 C ATOM 1396 CZ PHE A 121 -5.217 -0.640 -12.759 1.00 0.00 C ATOM 0 H PHE A 121 -9.805 0.578 -7.984 1.00 0.00 H new ATOM 0 HA PHE A 121 -9.656 -1.052 -10.296 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -8.804 1.225 -10.246 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -7.680 0.829 -8.960 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -8.462 0.235 -12.537 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -5.564 -0.198 -9.440 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -6.771 -0.387 -14.204 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.875 -0.816 -11.106 1.00 0.00 H new ATOM 0 HZ PHE A 121 -4.473 -0.912 -13.492 1.00 0.00 H new ATOM 1406 N LEU A 122 -7.689 -1.830 -7.754 1.00 0.00 N ATOM 1407 CA LEU A 122 -6.887 -2.893 -7.158 1.00 0.00 C ATOM 1408 C LEU A 122 -7.683 -4.200 -7.083 1.00 0.00 C ATOM 1409 O LEU A 122 -7.168 -5.265 -7.429 1.00 0.00 O ATOM 1410 CB LEU A 122 -6.412 -2.477 -5.758 1.00 0.00 C ATOM 1411 CG LEU A 122 -5.599 -1.169 -5.703 1.00 0.00 C ATOM 1412 CD1 LEU A 122 -5.293 -0.778 -4.260 1.00 0.00 C ATOM 1413 CD2 LEU A 122 -4.310 -1.289 -6.516 1.00 0.00 C ATOM 0 H LEU A 122 -7.809 -1.013 -7.155 1.00 0.00 H new ATOM 0 HA LEU A 122 -6.016 -3.061 -7.791 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -7.284 -2.372 -5.112 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.804 -3.282 -5.344 1.00 0.00 H new ATOM 0 HG LEU A 122 -6.206 -0.380 -6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -4.718 0.148 -4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -6.227 -0.633 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.715 -1.570 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -3.756 -0.352 -6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.699 -2.097 -6.112 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.555 -1.504 -7.556 1.00 0.00 H new ATOM 1425 N VAL A 123 -8.942 -4.120 -6.638 1.00 0.00 N ATOM 1426 CA VAL A 123 -9.781 -5.322 -6.522 1.00 0.00 C ATOM 1427 C VAL A 123 -10.320 -5.769 -7.892 1.00 0.00 C ATOM 1428 O VAL A 123 -10.755 -6.909 -8.056 1.00 0.00 O ATOM 1429 CB VAL A 123 -10.966 -5.127 -5.538 1.00 0.00 C ATOM 1430 CG1 VAL A 123 -10.468 -4.642 -4.177 1.00 0.00 C ATOM 1431 CG2 VAL A 123 -12.014 -4.171 -6.105 1.00 0.00 C ATOM 0 H VAL A 123 -9.398 -3.252 -6.356 1.00 0.00 H new ATOM 0 HA VAL A 123 -9.133 -6.101 -6.121 1.00 0.00 H new ATOM 0 HB VAL A 123 -11.444 -6.097 -5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 123 -11.316 -4.512 -3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 123 -9.781 -5.377 -3.758 1.00 0.00 H new ATOM 0 HG13 VAL A 123 -9.951 -3.690 -4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 123 -12.829 -4.058 -5.390 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -11.557 -3.199 -6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -12.405 -4.573 -7.040 1.00 0.00 H new ATOM 1441 N SER A 124 -10.276 -4.863 -8.869 1.00 0.00 N ATOM 1442 CA SER A 124 -10.719 -5.153 -10.239 1.00 0.00 C ATOM 1443 C SER A 124 -9.627 -5.892 -11.025 1.00 0.00 C ATOM 1444 O SER A 124 -9.791 -6.186 -12.212 1.00 0.00 O ATOM 1445 CB SER A 124 -11.100 -3.850 -10.961 1.00 0.00 C ATOM 1446 OG SER A 124 -11.669 -4.106 -12.236 1.00 0.00 O ATOM 0 H SER A 124 -9.935 -3.911 -8.737 1.00 0.00 H new ATOM 0 HA SER A 124 -11.596 -5.798 -10.183 1.00 0.00 H new ATOM 0 HB2 SER A 124 -11.809 -3.290 -10.352 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.215 -3.225 -11.076 1.00 0.00 H new ATOM 0 HG SER A 124 -11.307 -4.944 -12.593 1.00 0.00 H new ATOM 1452 N GLN A 125 -8.519 -6.184 -10.349 1.00 0.00 N ATOM 1453 CA GLN A 125 -7.343 -6.770 -10.987 1.00 0.00 C ATOM 1454 C GLN A 125 -7.625 -8.207 -11.453 1.00 0.00 C ATOM 1455 O GLN A 125 -8.582 -8.837 -11.002 1.00 0.00 O ATOM 1456 CB GLN A 125 -6.152 -6.738 -10.014 1.00 0.00 C ATOM 1457 CG GLN A 125 -4.844 -7.223 -10.622 1.00 0.00 C ATOM 1458 CD GLN A 125 -4.414 -6.400 -11.828 1.00 0.00 C ATOM 1459 OE1 GLN A 125 -4.799 -6.688 -12.958 1.00 0.00 O ATOM 1460 NE2 GLN A 125 -3.602 -5.382 -11.597 1.00 0.00 N ATOM 0 H GLN A 125 -8.411 -6.022 -9.348 1.00 0.00 H new ATOM 0 HA GLN A 125 -7.096 -6.179 -11.869 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.017 -5.718 -9.654 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.388 -7.354 -9.146 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -4.061 -7.186 -9.865 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -4.951 -8.266 -10.919 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -3.304 -5.174 -10.644 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -3.274 -4.805 -12.372 1.00 0.00 H new ATOM 1469 N ASP A 126 -6.767 -8.717 -12.339 1.00 0.00 N ATOM 1470 CA ASP A 126 -6.944 -10.049 -12.922 1.00 0.00 C ATOM 1471 C ASP A 126 -6.792 -11.114 -11.834 1.00 0.00 C ATOM 1472 O ASP A 126 -7.598 -12.042 -11.731 1.00 0.00 O ATOM 1473 CB ASP A 126 -5.934 -10.289 -14.065 1.00 0.00 C ATOM 1474 CG ASP A 126 -4.496 -10.481 -13.587 1.00 0.00 C ATOM 1475 OD1 ASP A 126 -4.009 -9.653 -12.785 1.00 0.00 O ATOM 1476 OD2 ASP A 126 -3.848 -11.466 -14.009 1.00 0.00 O ATOM 0 H ASP A 126 -5.938 -8.224 -12.670 1.00 0.00 H new ATOM 0 HA ASP A 126 -7.946 -10.115 -13.345 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -6.240 -11.170 -14.629 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -5.969 -9.443 -14.752 1.00 0.00 H new ATOM 1481 N ARG A 127 -5.748 -10.960 -11.024 1.00 0.00 N ATOM 1482 CA ARG A 127 -5.509 -11.818 -9.863 1.00 0.00 C ATOM 1483 C ARG A 127 -6.532 -11.559 -8.757 1.00 0.00 C ATOM 1484 O ARG A 127 -6.746 -12.415 -7.896 1.00 0.00 O ATOM 1485 CB ARG A 127 -4.098 -11.568 -9.302 1.00 0.00 C ATOM 1486 CG ARG A 127 -2.969 -12.215 -10.095 1.00 0.00 C ATOM 1487 CD ARG A 127 -1.606 -11.812 -9.537 1.00 0.00 C ATOM 1488 NE ARG A 127 -0.547 -12.750 -9.914 1.00 0.00 N ATOM 1489 CZ ARG A 127 0.529 -12.433 -10.632 1.00 0.00 C ATOM 1490 NH1 ARG A 127 0.632 -11.237 -11.202 1.00 0.00 N ATOM 1491 NH2 ARG A 127 1.487 -13.329 -10.808 1.00 0.00 N ATOM 0 H ARG A 127 -5.041 -10.236 -11.153 1.00 0.00 H new ATOM 0 HA ARG A 127 -5.604 -12.852 -10.195 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -3.924 -10.493 -9.261 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -4.060 -11.936 -8.277 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -3.073 -13.300 -10.063 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -3.039 -11.919 -11.142 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -1.350 -10.816 -9.897 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -1.665 -11.753 -8.450 1.00 0.00 H new ATOM 0 HE ARG A 127 -0.640 -13.717 -9.604 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -0.117 -10.553 -11.091 1.00 0.00 H new ATOM 0 HH12 ARG A 127 1.460 -11.003 -11.750 1.00 0.00 H new ATOM 0 HH21 ARG A 127 1.399 -14.257 -10.395 1.00 0.00 H new ATOM 0 HH22 ARG A 127 2.313 -13.091 -11.357 1.00 0.00 H new ATOM 1505 N CYS A 128 -7.158 -10.380 -8.802 1.00 0.00 N ATOM 1506 CA CYS A 128 -7.965 -9.875 -7.690 1.00 0.00 C ATOM 1507 C CYS A 128 -7.054 -9.597 -6.488 1.00 0.00 C ATOM 1508 O CYS A 128 -5.887 -9.998 -6.483 1.00 0.00 O ATOM 1509 CB CYS A 128 -9.084 -10.863 -7.315 1.00 0.00 C ATOM 1510 SG CYS A 128 -10.157 -11.324 -8.698 1.00 0.00 S ATOM 0 H CYS A 128 -7.120 -9.753 -9.605 1.00 0.00 H new ATOM 0 HA CYS A 128 -8.447 -8.947 -7.998 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -8.634 -11.766 -6.902 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -9.694 -10.422 -6.527 1.00 0.00 H new ATOM 0 HG CYS A 128 -11.064 -12.158 -8.284 1.00 0.00 H new ATOM 1516 N ALA A 129 -7.569 -8.897 -5.485 1.00 0.00 N ATOM 1517 CA ALA A 129 -6.772 -8.564 -4.309 1.00 0.00 C ATOM 1518 C ALA A 129 -7.647 -8.060 -3.173 1.00 0.00 C ATOM 1519 O ALA A 129 -8.670 -7.411 -3.403 1.00 0.00 O ATOM 1520 CB ALA A 129 -5.718 -7.519 -4.667 1.00 0.00 C ATOM 0 H ALA A 129 -8.528 -8.550 -5.461 1.00 0.00 H new ATOM 0 HA ALA A 129 -6.274 -9.473 -3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -5.129 -7.278 -3.782 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -5.062 -7.915 -5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -6.209 -6.617 -5.032 1.00 0.00 H new ATOM 1526 N GLU A 130 -7.242 -8.368 -1.946 1.00 0.00 N ATOM 1527 CA GLU A 130 -7.935 -7.889 -0.759 1.00 0.00 C ATOM 1528 C GLU A 130 -7.269 -6.611 -0.260 1.00 0.00 C ATOM 1529 O GLU A 130 -6.124 -6.631 0.193 1.00 0.00 O ATOM 1530 CB GLU A 130 -7.915 -8.957 0.342 1.00 0.00 C ATOM 1531 CG GLU A 130 -8.655 -8.546 1.612 1.00 0.00 C ATOM 1532 CD GLU A 130 -8.539 -9.580 2.720 1.00 0.00 C ATOM 1533 OE1 GLU A 130 -9.321 -10.553 2.718 1.00 0.00 O ATOM 1534 OE2 GLU A 130 -7.661 -9.429 3.596 1.00 0.00 O ATOM 0 H GLU A 130 -6.430 -8.953 -1.748 1.00 0.00 H new ATOM 0 HA GLU A 130 -8.973 -7.679 -1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -8.359 -9.874 -0.046 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.880 -9.186 0.594 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -8.259 -7.594 1.966 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -9.708 -8.386 1.379 1.00 0.00 H new ATOM 1541 N VAL A 131 -7.986 -5.499 -0.354 1.00 0.00 N ATOM 1542 CA VAL A 131 -7.468 -4.209 0.084 1.00 0.00 C ATOM 1543 C VAL A 131 -7.948 -3.901 1.499 1.00 0.00 C ATOM 1544 O VAL A 131 -9.145 -3.701 1.726 1.00 0.00 O ATOM 1545 CB VAL A 131 -7.911 -3.069 -0.871 1.00 0.00 C ATOM 1546 CG1 VAL A 131 -7.319 -1.730 -0.433 1.00 0.00 C ATOM 1547 CG2 VAL A 131 -7.528 -3.391 -2.315 1.00 0.00 C ATOM 0 H VAL A 131 -8.933 -5.464 -0.732 1.00 0.00 H new ATOM 0 HA VAL A 131 -6.380 -4.268 0.071 1.00 0.00 H new ATOM 0 HB VAL A 131 -8.997 -2.988 -0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.644 -0.947 -1.118 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -7.659 -1.494 0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -6.231 -1.792 -0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.848 -2.578 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.447 -3.509 -2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -8.015 -4.316 -2.623 1.00 0.00 H new ATOM 1557 N THR A 132 -7.022 -3.885 2.453 1.00 0.00 N ATOM 1558 CA THR A 132 -7.349 -3.528 3.825 1.00 0.00 C ATOM 1559 C THR A 132 -7.056 -2.050 4.045 1.00 0.00 C ATOM 1560 O THR A 132 -5.988 -1.553 3.663 1.00 0.00 O ATOM 1561 CB THR A 132 -6.563 -4.391 4.845 1.00 0.00 C ATOM 1562 OG1 THR A 132 -5.153 -4.265 4.627 1.00 0.00 O ATOM 1563 CG2 THR A 132 -6.961 -5.861 4.740 1.00 0.00 C ATOM 0 H THR A 132 -6.040 -4.115 2.299 1.00 0.00 H new ATOM 0 HA THR A 132 -8.410 -3.721 3.986 1.00 0.00 H new ATOM 0 HB THR A 132 -6.809 -4.029 5.843 1.00 0.00 H new ATOM 0 HG1 THR A 132 -4.929 -4.598 3.733 1.00 0.00 H new ATOM 0 HG21 THR A 132 -6.395 -6.444 5.466 1.00 0.00 H new ATOM 0 HG22 THR A 132 -8.027 -5.965 4.943 1.00 0.00 H new ATOM 0 HG23 THR A 132 -6.746 -6.225 3.735 1.00 0.00 H new ATOM 1571 N LEU A 133 -8.008 -1.343 4.639 1.00 0.00 N ATOM 1572 CA LEU A 133 -7.899 0.099 4.816 1.00 0.00 C ATOM 1573 C LEU A 133 -7.436 0.406 6.232 1.00 0.00 C ATOM 1574 O LEU A 133 -8.123 0.070 7.198 1.00 0.00 O ATOM 1575 CB LEU A 133 -9.254 0.772 4.545 1.00 0.00 C ATOM 1576 CG LEU A 133 -9.892 0.449 3.183 1.00 0.00 C ATOM 1577 CD1 LEU A 133 -11.251 1.131 3.048 1.00 0.00 C ATOM 1578 CD2 LEU A 133 -8.966 0.855 2.038 1.00 0.00 C ATOM 0 H LEU A 133 -8.869 -1.747 5.008 1.00 0.00 H new ATOM 0 HA LEU A 133 -7.169 0.491 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.950 0.479 5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -9.125 1.852 4.620 1.00 0.00 H new ATOM 0 HG LEU A 133 -10.045 -0.629 3.128 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -11.685 0.889 2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -11.914 0.781 3.839 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -11.126 2.211 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -9.439 0.617 1.085 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -8.773 1.926 2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -8.025 0.312 2.121 1.00 0.00 H new ATOM 1590 N GLU A 134 -6.269 1.026 6.358 1.00 0.00 N ATOM 1591 CA GLU A 134 -5.696 1.327 7.663 1.00 0.00 C ATOM 1592 C GLU A 134 -5.598 2.838 7.870 1.00 0.00 C ATOM 1593 O GLU A 134 -5.467 3.603 6.907 1.00 0.00 O ATOM 1594 CB GLU A 134 -4.315 0.668 7.796 1.00 0.00 C ATOM 1595 CG GLU A 134 -3.715 0.750 9.195 1.00 0.00 C ATOM 1596 CD GLU A 134 -4.621 0.137 10.252 1.00 0.00 C ATOM 1597 OE1 GLU A 134 -4.632 -1.109 10.388 1.00 0.00 O ATOM 1598 OE2 GLU A 134 -5.339 0.895 10.937 1.00 0.00 O ATOM 0 H GLU A 134 -5.699 1.331 5.569 1.00 0.00 H new ATOM 0 HA GLU A 134 -6.350 0.922 8.436 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -4.396 -0.380 7.509 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -3.630 1.140 7.091 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -2.752 0.239 9.205 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -3.524 1.794 9.445 1.00 0.00 H new