USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 667 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 70 ASN :FLIP amide:sc= -0.331 F(o=-0.93,f=-0.35) USER MOD Set 1.2: A 71 GLN :FLIP amide:sc= -0.017 X(o=-0.82,f=-0.35) USER MOD Set 2.1: A 60 LYS NZ :NH3+ -158:sc= 0.422 (180deg=0.359) USER MOD Set 2.2: A 61 SER OG : rot 118:sc= 1.37 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 21 GLN :FLIP amide:sc= -2.21 F(o=-6.4!,f=-2.2) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.096 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0897 K(o=-0.09,f=-1.5) USER MOD Single : A 40 TYR OH : rot 40:sc= -0.789 USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= -0.108 (180deg=-0.432) USER MOD Single : A 55 MET CE :methyl -150:sc= -0.509 (180deg=-2.88!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl -132:sc= -0.0205 (180deg=-2.6!) USER MOD Single : A 77 THR OG1 : rot 84:sc= 0.0185 USER MOD Single : A 79 GLN : amide:sc= -7.61! C(o=-7.6!,f=-9.1!) USER MOD Single : A 80 THR OG1 : rot 26:sc= 0.34 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.262 F(o=-2!,f=-0.26) USER MOD Single : A 95 SER OG : rot -20:sc= 0.141 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 103 N GLY A 9 6.289 -1.787 9.489 1.00 1.01 N ATOM 104 CA GLY A 9 5.281 -1.778 10.534 1.00 1.09 C ATOM 105 C GLY A 9 4.131 -0.832 10.242 1.00 1.08 C ATOM 106 O GLY A 9 2.982 -1.261 10.135 1.00 1.26 O ATOM 0 HA2 GLY A 9 4.890 -2.787 10.662 1.00 1.09 H new ATOM 0 HA3 GLY A 9 5.747 -1.494 11.478 1.00 1.09 H new ATOM 110 N LYS A 10 4.435 0.458 10.114 1.00 1.12 N ATOM 111 CA LYS A 10 3.408 1.459 9.846 1.00 1.33 C ATOM 112 C LYS A 10 3.373 1.853 8.364 1.00 1.14 C ATOM 113 O LYS A 10 2.359 1.640 7.701 1.00 1.22 O ATOM 114 CB LYS A 10 3.613 2.688 10.742 1.00 1.68 C ATOM 115 CG LYS A 10 2.786 3.897 10.334 1.00 2.23 C ATOM 116 CD LYS A 10 1.295 3.607 10.409 1.00 3.07 C ATOM 117 CE LYS A 10 0.468 4.827 10.036 1.00 3.89 C ATOM 118 NZ LYS A 10 -0.992 4.540 10.077 1.00 4.57 N ATOM 0 H LYS A 10 5.381 0.832 10.191 1.00 1.12 H new ATOM 0 HA LYS A 10 2.440 1.017 10.082 1.00 1.33 H new ATOM 0 HB2 LYS A 10 3.365 2.421 11.769 1.00 1.68 H new ATOM 0 HB3 LYS A 10 4.668 2.962 10.730 1.00 1.68 H new ATOM 0 HG2 LYS A 10 3.027 4.739 10.983 1.00 2.23 H new ATOM 0 HG3 LYS A 10 3.049 4.192 9.318 1.00 2.23 H new ATOM 0 HD2 LYS A 10 1.050 2.782 9.740 1.00 3.07 H new ATOM 0 HD3 LYS A 10 1.036 3.286 11.418 1.00 3.07 H new ATOM 0 HE2 LYS A 10 0.697 5.644 10.720 1.00 3.89 H new ATOM 0 HE3 LYS A 10 0.745 5.161 9.036 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 -1.522 5.396 9.817 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 -1.215 3.778 9.406 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 -1.261 4.245 11.037 1.00 4.57 H new ATOM 132 N PRO A 11 4.463 2.447 7.814 1.00 1.03 N ATOM 133 CA PRO A 11 4.510 2.842 6.404 1.00 1.05 C ATOM 134 C PRO A 11 3.927 1.795 5.464 1.00 0.77 C ATOM 135 O PRO A 11 2.976 2.072 4.740 1.00 0.72 O ATOM 136 CB PRO A 11 6.003 3.004 6.146 1.00 1.20 C ATOM 137 CG PRO A 11 6.542 3.482 7.443 1.00 1.49 C ATOM 138 CD PRO A 11 5.719 2.807 8.512 1.00 1.15 C ATOM 0 HA PRO A 11 3.916 3.737 6.219 1.00 1.05 H new ATOM 0 HB2 PRO A 11 6.461 2.061 5.847 1.00 1.20 H new ATOM 0 HB3 PRO A 11 6.194 3.719 5.346 1.00 1.20 H new ATOM 0 HG2 PRO A 11 7.597 3.227 7.544 1.00 1.49 H new ATOM 0 HG3 PRO A 11 6.467 4.567 7.520 1.00 1.49 H new ATOM 0 HD2 PRO A 11 6.223 1.926 8.909 1.00 1.15 H new ATOM 0 HD3 PRO A 11 5.532 3.474 9.354 1.00 1.15 H new ATOM 146 N LEU A 12 4.504 0.597 5.479 1.00 0.70 N ATOM 147 CA LEU A 12 4.049 -0.486 4.609 1.00 0.57 C ATOM 148 C LEU A 12 2.528 -0.615 4.623 1.00 0.48 C ATOM 149 O LEU A 12 1.921 -1.000 3.624 1.00 0.53 O ATOM 150 CB LEU A 12 4.691 -1.812 5.024 1.00 0.61 C ATOM 151 CG LEU A 12 4.804 -2.849 3.904 1.00 0.58 C ATOM 152 CD1 LEU A 12 5.809 -2.393 2.855 1.00 1.01 C ATOM 153 CD2 LEU A 12 5.197 -4.205 4.467 1.00 0.91 C ATOM 0 H LEU A 12 5.288 0.350 6.084 1.00 0.70 H new ATOM 0 HA LEU A 12 4.357 -0.242 3.592 1.00 0.57 H new ATOM 0 HB2 LEU A 12 5.688 -1.610 5.415 1.00 0.61 H new ATOM 0 HB3 LEU A 12 4.110 -2.241 5.840 1.00 0.61 H new ATOM 0 HG LEU A 12 3.829 -2.947 3.427 1.00 0.58 H new ATOM 0 HD11 LEU A 12 5.877 -3.142 2.066 1.00 1.01 H new ATOM 0 HD12 LEU A 12 5.484 -1.444 2.428 1.00 1.01 H new ATOM 0 HD13 LEU A 12 6.787 -2.265 3.319 1.00 1.01 H new ATOM 0 HD21 LEU A 12 5.272 -4.928 3.655 1.00 0.91 H new ATOM 0 HD22 LEU A 12 6.160 -4.124 4.971 1.00 0.91 H new ATOM 0 HD23 LEU A 12 4.441 -4.536 5.179 1.00 0.91 H new ATOM 165 N SER A 13 1.916 -0.294 5.761 1.00 0.52 N ATOM 166 CA SER A 13 0.464 -0.369 5.895 1.00 0.61 C ATOM 167 C SER A 13 -0.200 0.860 5.286 1.00 0.58 C ATOM 168 O SER A 13 -1.260 0.763 4.667 1.00 0.69 O ATOM 169 CB SER A 13 0.073 -0.507 7.367 1.00 0.78 C ATOM 170 OG SER A 13 -1.335 -0.538 7.521 1.00 1.39 O ATOM 0 H SER A 13 2.402 0.020 6.601 1.00 0.52 H new ATOM 0 HA SER A 13 0.116 -1.249 5.355 1.00 0.61 H new ATOM 0 HB2 SER A 13 0.507 -1.419 7.778 1.00 0.78 H new ATOM 0 HB3 SER A 13 0.486 0.326 7.936 1.00 0.78 H new ATOM 0 HG SER A 13 -1.558 -0.628 8.471 1.00 1.39 H new ATOM 176 N GLY A 14 0.431 2.015 5.466 1.00 0.56 N ATOM 177 CA GLY A 14 -0.106 3.249 4.923 1.00 0.59 C ATOM 178 C GLY A 14 0.531 3.616 3.598 1.00 0.55 C ATOM 179 O GLY A 14 0.394 4.743 3.125 1.00 0.58 O ATOM 0 H GLY A 14 1.306 2.119 5.979 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -1.183 3.147 4.791 1.00 0.59 H new ATOM 0 HA3 GLY A 14 0.053 4.057 5.637 1.00 0.59 H new ATOM 183 N LEU A 15 1.238 2.658 3.006 1.00 0.52 N ATOM 184 CA LEU A 15 1.900 2.864 1.722 1.00 0.52 C ATOM 185 C LEU A 15 0.873 2.878 0.602 1.00 0.46 C ATOM 186 O LEU A 15 0.817 3.818 -0.185 1.00 0.47 O ATOM 187 CB LEU A 15 2.920 1.751 1.482 1.00 0.57 C ATOM 188 CG LEU A 15 4.376 2.208 1.314 1.00 0.69 C ATOM 189 CD1 LEU A 15 4.505 3.159 0.134 1.00 0.97 C ATOM 190 CD2 LEU A 15 4.891 2.863 2.592 1.00 1.10 C ATOM 0 H LEU A 15 1.368 1.725 3.398 1.00 0.52 H new ATOM 0 HA LEU A 15 2.416 3.824 1.738 1.00 0.52 H new ATOM 0 HB2 LEU A 15 2.872 1.053 2.317 1.00 0.57 H new ATOM 0 HB3 LEU A 15 2.626 1.200 0.589 1.00 0.57 H new ATOM 0 HG LEU A 15 4.988 1.328 1.115 1.00 0.69 H new ATOM 0 HD11 LEU A 15 5.544 3.472 0.031 1.00 0.97 H new ATOM 0 HD12 LEU A 15 4.186 2.653 -0.777 1.00 0.97 H new ATOM 0 HD13 LEU A 15 3.877 4.034 0.302 1.00 0.97 H new ATOM 0 HD21 LEU A 15 5.924 3.178 2.448 1.00 1.10 H new ATOM 0 HD22 LEU A 15 4.276 3.731 2.829 1.00 1.10 H new ATOM 0 HD23 LEU A 15 4.841 2.148 3.413 1.00 1.10 H new ATOM 202 N LEU A 16 0.058 1.828 0.537 1.00 0.45 N ATOM 203 CA LEU A 16 -0.980 1.740 -0.482 1.00 0.42 C ATOM 204 C LEU A 16 -1.853 2.989 -0.418 1.00 0.40 C ATOM 205 O LEU A 16 -2.536 3.344 -1.379 1.00 0.41 O ATOM 206 CB LEU A 16 -1.843 0.484 -0.287 1.00 0.47 C ATOM 207 CG LEU A 16 -1.092 -0.859 -0.218 1.00 0.53 C ATOM 208 CD1 LEU A 16 0.099 -0.885 -1.167 1.00 0.86 C ATOM 209 CD2 LEU A 16 -0.648 -1.155 1.206 1.00 0.92 C ATOM 0 H LEU A 16 0.097 1.032 1.174 1.00 0.45 H new ATOM 0 HA LEU A 16 -0.505 1.670 -1.460 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -2.416 0.603 0.633 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -2.561 0.432 -1.106 1.00 0.47 H new ATOM 0 HG LEU A 16 -1.785 -1.639 -0.535 1.00 0.53 H new ATOM 0 HD11 LEU A 16 0.604 -1.848 -1.091 1.00 0.86 H new ATOM 0 HD12 LEU A 16 -0.247 -0.737 -2.190 1.00 0.86 H new ATOM 0 HD13 LEU A 16 0.794 -0.089 -0.901 1.00 0.86 H new ATOM 0 HD21 LEU A 16 -0.120 -2.108 1.232 1.00 0.92 H new ATOM 0 HD22 LEU A 16 0.016 -0.363 1.552 1.00 0.92 H new ATOM 0 HD23 LEU A 16 -1.521 -1.207 1.856 1.00 0.92 H new ATOM 221 N ASN A 17 -1.811 3.648 0.737 1.00 0.40 N ATOM 222 CA ASN A 17 -2.567 4.872 0.971 1.00 0.42 C ATOM 223 C ASN A 17 -1.789 6.082 0.463 1.00 0.38 C ATOM 224 O ASN A 17 -2.324 6.919 -0.264 1.00 0.42 O ATOM 225 CB ASN A 17 -2.845 5.021 2.466 1.00 0.47 C ATOM 226 CG ASN A 17 -3.969 4.121 2.935 1.00 1.38 C ATOM 227 OD1 ASN A 17 -5.136 4.513 2.932 1.00 1.93 O ATOM 228 ND2 ASN A 17 -3.625 2.906 3.344 1.00 2.33 N ATOM 0 H ASN A 17 -1.252 3.348 1.536 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.512 4.815 0.430 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -1.939 4.789 3.026 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -3.098 6.058 2.684 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -4.340 2.257 3.672 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -2.646 2.621 3.330 1.00 2.33 H new ATOM 235 N ALA A 18 -0.523 6.163 0.861 1.00 0.37 N ATOM 236 CA ALA A 18 0.356 7.251 0.450 1.00 0.37 C ATOM 237 C ALA A 18 0.479 7.296 -1.073 1.00 0.38 C ATOM 238 O ALA A 18 0.200 8.313 -1.705 1.00 0.44 O ATOM 239 CB ALA A 18 1.726 7.066 1.085 1.00 0.42 C ATOM 0 H ALA A 18 -0.080 5.479 1.475 1.00 0.37 H new ATOM 0 HA ALA A 18 -0.070 8.197 0.785 1.00 0.37 H new ATOM 0 HB1 ALA A 18 2.383 7.880 0.777 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.627 7.070 2.171 1.00 0.42 H new ATOM 0 HB3 ALA A 18 2.151 6.115 0.763 1.00 0.42 H new ATOM 245 N LEU A 19 0.887 6.167 -1.646 1.00 0.42 N ATOM 246 CA LEU A 19 1.070 6.034 -3.090 1.00 0.48 C ATOM 247 C LEU A 19 -0.146 6.523 -3.875 1.00 0.52 C ATOM 248 O LEU A 19 -0.035 6.837 -5.059 1.00 0.69 O ATOM 249 CB LEU A 19 1.348 4.573 -3.442 1.00 0.51 C ATOM 250 CG LEU A 19 2.524 3.937 -2.700 1.00 0.61 C ATOM 251 CD1 LEU A 19 2.546 2.433 -2.924 1.00 0.77 C ATOM 252 CD2 LEU A 19 3.834 4.563 -3.150 1.00 0.94 C ATOM 0 H LEU A 19 1.100 5.318 -1.123 1.00 0.42 H new ATOM 0 HA LEU A 19 1.918 6.659 -3.370 1.00 0.48 H new ATOM 0 HB2 LEU A 19 0.451 3.989 -3.236 1.00 0.51 H new ATOM 0 HB3 LEU A 19 1.535 4.503 -4.514 1.00 0.51 H new ATOM 0 HG LEU A 19 2.401 4.122 -1.633 1.00 0.61 H new ATOM 0 HD11 LEU A 19 3.390 1.998 -2.388 1.00 0.77 H new ATOM 0 HD12 LEU A 19 1.618 1.997 -2.555 1.00 0.77 H new ATOM 0 HD13 LEU A 19 2.646 2.225 -3.989 1.00 0.77 H new ATOM 0 HD21 LEU A 19 4.662 4.100 -2.613 1.00 0.94 H new ATOM 0 HD22 LEU A 19 3.963 4.406 -4.221 1.00 0.94 H new ATOM 0 HD23 LEU A 19 3.818 5.632 -2.939 1.00 0.94 H new ATOM 264 N ALA A 20 -1.304 6.574 -3.222 1.00 0.54 N ATOM 265 CA ALA A 20 -2.527 7.022 -3.882 1.00 0.64 C ATOM 266 C ALA A 20 -2.430 8.492 -4.283 1.00 0.78 C ATOM 267 O ALA A 20 -2.919 9.371 -3.574 1.00 1.59 O ATOM 268 CB ALA A 20 -3.733 6.796 -2.980 1.00 0.76 C ATOM 0 H ALA A 20 -1.421 6.313 -2.243 1.00 0.54 H new ATOM 0 HA ALA A 20 -2.654 6.432 -4.790 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -4.636 7.136 -3.488 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -3.823 5.734 -2.752 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -3.605 7.357 -2.054 1.00 0.76 H new ATOM 274 N GLN A 21 -1.798 8.749 -5.423 1.00 0.71 N ATOM 275 CA GLN A 21 -1.632 10.111 -5.919 1.00 0.81 C ATOM 276 C GLN A 21 -2.881 10.571 -6.663 1.00 1.05 C ATOM 277 O GLN A 21 -3.470 11.600 -6.330 1.00 1.54 O ATOM 278 CB GLN A 21 -0.413 10.192 -6.840 1.00 1.12 C ATOM 279 CG GLN A 21 0.879 9.737 -6.178 1.00 1.08 C ATOM 280 CD GLN A 21 2.038 9.651 -7.152 1.00 1.24 C ATOM 281 OE1 GLN A 21 3.255 9.843 -6.649 1.00 1.87 O flip ATOM 282 NE2 GLN A 21 1.845 9.412 -8.344 1.00 1.21 N flip ATOM 0 H GLN A 21 -1.391 8.031 -6.022 1.00 0.71 H new ATOM 0 HA GLN A 21 -1.477 10.770 -5.065 1.00 0.81 H new ATOM 0 HB2 GLN A 21 -0.594 9.580 -7.724 1.00 1.12 H new ATOM 0 HB3 GLN A 21 -0.294 11.220 -7.183 1.00 1.12 H new ATOM 0 HG2 GLN A 21 1.135 10.429 -5.376 1.00 1.08 H new ATOM 0 HG3 GLN A 21 0.723 8.761 -5.719 1.00 1.08 H new ATOM 0 HE21 GLN A 21 0.895 9.271 -8.689 1.00 1.21 H new ATOM 0 HE22 GLN A 21 2.635 9.355 -8.987 1.00 1.21 H new ATOM 404 N ILE A 30 -2.977 14.751 -1.077 1.00 1.02 N ATOM 405 CA ILE A 30 -1.899 13.822 -1.396 1.00 0.84 C ATOM 406 C ILE A 30 -1.044 14.349 -2.549 1.00 0.87 C ATOM 407 O ILE A 30 -1.550 14.991 -3.470 1.00 1.18 O ATOM 408 CB ILE A 30 -2.453 12.427 -1.761 1.00 0.87 C ATOM 409 CG1 ILE A 30 -1.328 11.387 -1.768 1.00 0.77 C ATOM 410 CG2 ILE A 30 -3.161 12.465 -3.108 1.00 1.08 C ATOM 411 CD1 ILE A 30 -0.937 10.907 -0.385 1.00 0.75 C ATOM 0 HA ILE A 30 -1.277 13.731 -0.505 1.00 0.84 H new ATOM 0 HB ILE A 30 -3.181 12.138 -1.003 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -1.640 10.531 -2.366 1.00 0.77 H new ATOM 0 HG13 ILE A 30 -0.452 11.815 -2.256 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -3.544 11.473 -3.346 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -3.989 13.172 -3.064 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -2.458 12.778 -3.880 1.00 1.08 H new ATOM 0 HD11 ILE A 30 -0.136 10.173 -0.468 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -0.594 11.753 0.210 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -1.800 10.449 0.099 1.00 0.75 H new ATOM 423 N THR A 31 0.255 14.075 -2.486 1.00 0.88 N ATOM 424 CA THR A 31 1.191 14.515 -3.517 1.00 0.97 C ATOM 425 C THR A 31 2.369 13.549 -3.614 1.00 0.86 C ATOM 426 O THR A 31 2.648 12.810 -2.671 1.00 0.78 O ATOM 427 CB THR A 31 1.718 15.937 -3.226 1.00 1.07 C ATOM 428 OG1 THR A 31 0.627 16.808 -2.908 1.00 1.72 O ATOM 429 CG2 THR A 31 2.482 16.496 -4.417 1.00 1.06 C ATOM 0 H THR A 31 0.686 13.547 -1.727 1.00 0.88 H new ATOM 0 HA THR A 31 0.653 14.530 -4.465 1.00 0.97 H new ATOM 0 HB THR A 31 2.399 15.875 -2.377 1.00 1.07 H new ATOM 0 HG1 THR A 31 0.970 17.707 -2.723 1.00 1.72 H new ATOM 0 HG21 THR A 31 2.840 17.498 -4.182 1.00 1.06 H new ATOM 0 HG22 THR A 31 3.331 15.850 -4.640 1.00 1.06 H new ATOM 0 HG23 THR A 31 1.823 16.541 -5.284 1.00 1.06 H new ATOM 437 N GLU A 32 3.051 13.550 -4.754 1.00 0.93 N ATOM 438 CA GLU A 32 4.194 12.667 -4.961 1.00 0.95 C ATOM 439 C GLU A 32 5.229 12.828 -3.847 1.00 0.84 C ATOM 440 O GLU A 32 5.762 11.842 -3.339 1.00 0.91 O ATOM 441 CB GLU A 32 4.839 12.942 -6.321 1.00 1.15 C ATOM 442 CG GLU A 32 3.858 12.892 -7.483 1.00 1.47 C ATOM 443 CD GLU A 32 4.526 13.128 -8.823 1.00 1.59 C ATOM 444 OE1 GLU A 32 4.621 14.300 -9.242 1.00 1.98 O ATOM 445 OE2 GLU A 32 4.957 12.139 -9.453 1.00 1.56 O ATOM 0 H GLU A 32 2.833 14.151 -5.548 1.00 0.93 H new ATOM 0 HA GLU A 32 3.830 11.640 -4.940 1.00 0.95 H new ATOM 0 HB2 GLU A 32 5.311 13.924 -6.298 1.00 1.15 H new ATOM 0 HB3 GLU A 32 5.630 12.212 -6.493 1.00 1.15 H new ATOM 0 HG2 GLU A 32 3.364 11.921 -7.494 1.00 1.47 H new ATOM 0 HG3 GLU A 32 3.082 13.643 -7.331 1.00 1.47 H new ATOM 452 N GLU A 33 5.507 14.072 -3.473 1.00 0.80 N ATOM 453 CA GLU A 33 6.475 14.351 -2.415 1.00 0.79 C ATOM 454 C GLU A 33 5.797 14.346 -1.049 1.00 0.64 C ATOM 455 O GLU A 33 6.453 14.461 -0.013 1.00 0.70 O ATOM 456 CB GLU A 33 7.152 15.704 -2.653 1.00 0.97 C ATOM 457 CG GLU A 33 7.849 15.809 -3.998 1.00 1.63 C ATOM 458 CD GLU A 33 8.492 17.166 -4.213 1.00 2.05 C ATOM 459 OE1 GLU A 33 9.670 17.331 -3.831 1.00 2.36 O ATOM 460 OE2 GLU A 33 7.817 18.062 -4.761 1.00 2.64 O ATOM 0 H GLU A 33 5.078 14.901 -3.884 1.00 0.80 H new ATOM 0 HA GLU A 33 7.232 13.567 -2.433 1.00 0.79 H new ATOM 0 HB2 GLU A 33 6.404 16.493 -2.579 1.00 0.97 H new ATOM 0 HB3 GLU A 33 7.880 15.880 -1.861 1.00 0.97 H new ATOM 0 HG2 GLU A 33 8.611 15.033 -4.070 1.00 1.63 H new ATOM 0 HG3 GLU A 33 7.128 15.622 -4.793 1.00 1.63 H new ATOM 467 N LEU A 34 4.475 14.216 -1.062 1.00 0.54 N ATOM 468 CA LEU A 34 3.687 14.194 0.166 1.00 0.49 C ATOM 469 C LEU A 34 3.640 12.794 0.755 1.00 0.43 C ATOM 470 O LEU A 34 4.037 12.575 1.899 1.00 0.46 O ATOM 471 CB LEU A 34 2.265 14.677 -0.129 1.00 0.57 C ATOM 472 CG LEU A 34 1.348 14.877 1.086 1.00 0.91 C ATOM 473 CD1 LEU A 34 0.806 13.541 1.567 1.00 1.75 C ATOM 474 CD2 LEU A 34 2.077 15.599 2.213 1.00 1.48 C ATOM 0 H LEU A 34 3.923 14.124 -1.915 1.00 0.54 H new ATOM 0 HA LEU A 34 4.158 14.857 0.892 1.00 0.49 H new ATOM 0 HB2 LEU A 34 2.330 15.622 -0.668 1.00 0.57 H new ATOM 0 HB3 LEU A 34 1.792 13.960 -0.800 1.00 0.57 H new ATOM 0 HG LEU A 34 0.510 15.502 0.778 1.00 0.91 H new ATOM 0 HD11 LEU A 34 0.158 13.700 2.429 1.00 1.75 H new ATOM 0 HD12 LEU A 34 0.236 13.070 0.766 1.00 1.75 H new ATOM 0 HD13 LEU A 34 1.635 12.893 1.851 1.00 1.75 H new ATOM 0 HD21 LEU A 34 1.403 15.726 3.060 1.00 1.48 H new ATOM 0 HD22 LEU A 34 2.941 15.011 2.523 1.00 1.48 H new ATOM 0 HD23 LEU A 34 2.409 16.577 1.864 1.00 1.48 H new ATOM 486 N LEU A 35 3.137 11.856 -0.041 1.00 0.45 N ATOM 487 CA LEU A 35 3.012 10.464 0.368 1.00 0.49 C ATOM 488 C LEU A 35 4.266 9.988 1.092 1.00 0.43 C ATOM 489 O LEU A 35 4.186 9.241 2.067 1.00 0.50 O ATOM 490 CB LEU A 35 2.740 9.598 -0.858 1.00 0.63 C ATOM 491 CG LEU A 35 3.655 9.859 -2.050 1.00 0.64 C ATOM 492 CD1 LEU A 35 4.853 8.925 -2.010 1.00 0.89 C ATOM 493 CD2 LEU A 35 2.890 9.689 -3.351 1.00 1.08 C ATOM 0 H LEU A 35 2.805 12.041 -0.988 1.00 0.45 H new ATOM 0 HA LEU A 35 2.178 10.377 1.064 1.00 0.49 H new ATOM 0 HB2 LEU A 35 2.832 8.550 -0.571 1.00 0.63 H new ATOM 0 HB3 LEU A 35 1.708 9.753 -1.171 1.00 0.63 H new ATOM 0 HG LEU A 35 4.016 10.886 -1.994 1.00 0.64 H new ATOM 0 HD11 LEU A 35 5.497 9.123 -2.867 1.00 0.89 H new ATOM 0 HD12 LEU A 35 5.413 9.090 -1.089 1.00 0.89 H new ATOM 0 HD13 LEU A 35 4.510 7.891 -2.045 1.00 0.89 H new ATOM 0 HD21 LEU A 35 3.556 9.879 -4.192 1.00 1.08 H new ATOM 0 HD22 LEU A 35 2.504 8.672 -3.416 1.00 1.08 H new ATOM 0 HD23 LEU A 35 2.060 10.395 -3.380 1.00 1.08 H new ATOM 505 N ARG A 36 5.421 10.422 0.606 1.00 0.38 N ATOM 506 CA ARG A 36 6.688 10.064 1.223 1.00 0.38 C ATOM 507 C ARG A 36 6.730 10.589 2.650 1.00 0.34 C ATOM 508 O ARG A 36 6.874 9.827 3.604 1.00 0.37 O ATOM 509 CB ARG A 36 7.850 10.647 0.413 1.00 0.46 C ATOM 510 CG ARG A 36 9.079 10.981 1.248 1.00 1.18 C ATOM 511 CD ARG A 36 10.100 11.768 0.445 1.00 1.73 C ATOM 512 NE ARG A 36 11.203 12.238 1.279 1.00 2.64 N ATOM 513 CZ ARG A 36 11.532 13.520 1.412 1.00 3.41 C ATOM 514 NH1 ARG A 36 10.842 14.456 0.776 1.00 3.46 N ATOM 515 NH2 ARG A 36 12.553 13.867 2.185 1.00 4.28 N ATOM 0 H ARG A 36 5.505 11.023 -0.214 1.00 0.38 H new ATOM 0 HA ARG A 36 6.783 8.978 1.240 1.00 0.38 H new ATOM 0 HB2 ARG A 36 8.132 9.935 -0.362 1.00 0.46 H new ATOM 0 HB3 ARG A 36 7.510 11.551 -0.093 1.00 0.46 H new ATOM 0 HG2 ARG A 36 8.780 11.558 2.123 1.00 1.18 H new ATOM 0 HG3 ARG A 36 9.533 10.060 1.613 1.00 1.18 H new ATOM 0 HD2 ARG A 36 10.492 11.142 -0.357 1.00 1.73 H new ATOM 0 HD3 ARG A 36 9.612 12.621 -0.026 1.00 1.73 H new ATOM 0 HE ARG A 36 11.752 11.545 1.788 1.00 2.64 H new ATOM 0 HH11 ARG A 36 10.055 14.194 0.182 1.00 3.46 H new ATOM 0 HH12 ARG A 36 11.098 15.438 0.881 1.00 3.46 H new ATOM 0 HH21 ARG A 36 13.086 13.151 2.678 1.00 4.28 H new ATOM 0 HH22 ARG A 36 12.805 14.850 2.287 1.00 4.28 H new ATOM 529 N SER A 37 6.590 11.901 2.778 1.00 0.36 N ATOM 530 CA SER A 37 6.610 12.552 4.075 1.00 0.40 C ATOM 531 C SER A 37 5.465 12.057 4.954 1.00 0.40 C ATOM 532 O SER A 37 5.507 12.194 6.176 1.00 0.46 O ATOM 533 CB SER A 37 6.518 14.069 3.907 1.00 0.47 C ATOM 534 OG SER A 37 6.543 14.725 5.163 1.00 1.33 O ATOM 0 H SER A 37 6.461 12.537 1.991 1.00 0.36 H new ATOM 0 HA SER A 37 7.552 12.302 4.563 1.00 0.40 H new ATOM 0 HB2 SER A 37 7.347 14.421 3.293 1.00 0.47 H new ATOM 0 HB3 SER A 37 5.600 14.324 3.378 1.00 0.47 H new ATOM 0 HG SER A 37 6.484 15.694 5.027 1.00 1.33 H new ATOM 540 N GLN A 38 4.442 11.483 4.322 1.00 0.36 N ATOM 541 CA GLN A 38 3.279 10.988 5.045 1.00 0.39 C ATOM 542 C GLN A 38 3.648 9.851 5.996 1.00 0.43 C ATOM 543 O GLN A 38 3.078 9.739 7.081 1.00 0.67 O ATOM 544 CB GLN A 38 2.206 10.520 4.060 1.00 0.42 C ATOM 545 CG GLN A 38 0.837 11.119 4.325 1.00 0.74 C ATOM 546 CD GLN A 38 -0.223 10.602 3.371 1.00 1.11 C ATOM 547 OE1 GLN A 38 -0.152 9.465 2.905 1.00 1.74 O ATOM 548 NE2 GLN A 38 -1.209 11.439 3.071 1.00 1.84 N ATOM 0 H GLN A 38 4.398 11.351 3.312 1.00 0.36 H new ATOM 0 HA GLN A 38 2.887 11.810 5.644 1.00 0.39 H new ATOM 0 HB2 GLN A 38 2.517 10.778 3.047 1.00 0.42 H new ATOM 0 HB3 GLN A 38 2.133 9.433 4.104 1.00 0.42 H new ATOM 0 HG2 GLN A 38 0.539 10.895 5.349 1.00 0.74 H new ATOM 0 HG3 GLN A 38 0.897 12.204 4.241 1.00 0.74 H new ATOM 0 HE21 GLN A 38 -1.228 12.373 3.481 1.00 1.84 H new ATOM 0 HE22 GLN A 38 -1.948 11.148 2.431 1.00 1.84 H new ATOM 557 N LEU A 39 4.602 9.012 5.595 1.00 0.41 N ATOM 558 CA LEU A 39 5.011 7.886 6.432 1.00 0.53 C ATOM 559 C LEU A 39 6.519 7.645 6.377 1.00 0.51 C ATOM 560 O LEU A 39 7.159 7.461 7.412 1.00 0.61 O ATOM 561 CB LEU A 39 4.266 6.616 6.014 1.00 0.69 C ATOM 562 CG LEU A 39 2.741 6.741 5.981 1.00 0.78 C ATOM 563 CD1 LEU A 39 2.248 6.896 4.549 1.00 1.09 C ATOM 564 CD2 LEU A 39 2.093 5.538 6.648 1.00 1.07 C ATOM 0 H LEU A 39 5.100 9.088 4.708 1.00 0.41 H new ATOM 0 HA LEU A 39 4.754 8.139 7.461 1.00 0.53 H new ATOM 0 HB2 LEU A 39 4.612 6.319 5.024 1.00 0.69 H new ATOM 0 HB3 LEU A 39 4.535 5.813 6.700 1.00 0.69 H new ATOM 0 HG LEU A 39 2.456 7.634 6.537 1.00 0.78 H new ATOM 0 HD11 LEU A 39 1.162 6.983 4.546 1.00 1.09 H new ATOM 0 HD12 LEU A 39 2.685 7.792 4.109 1.00 1.09 H new ATOM 0 HD13 LEU A 39 2.544 6.024 3.966 1.00 1.09 H new ATOM 0 HD21 LEU A 39 1.009 5.644 6.615 1.00 1.07 H new ATOM 0 HD22 LEU A 39 2.385 4.629 6.122 1.00 1.07 H new ATOM 0 HD23 LEU A 39 2.420 5.477 7.686 1.00 1.07 H new ATOM 576 N TYR A 40 7.083 7.640 5.170 1.00 0.46 N ATOM 577 CA TYR A 40 8.517 7.406 5.003 1.00 0.48 C ATOM 578 C TYR A 40 9.255 8.678 4.589 1.00 0.42 C ATOM 579 O TYR A 40 9.405 8.952 3.401 1.00 0.46 O ATOM 580 CB TYR A 40 8.774 6.298 3.973 1.00 0.58 C ATOM 581 CG TYR A 40 7.868 6.333 2.760 1.00 0.63 C ATOM 582 CD1 TYR A 40 6.540 5.933 2.845 1.00 0.99 C ATOM 583 CD2 TYR A 40 8.348 6.749 1.525 1.00 0.89 C ATOM 584 CE1 TYR A 40 5.719 5.945 1.734 1.00 1.38 C ATOM 585 CE2 TYR A 40 7.532 6.766 0.410 1.00 1.30 C ATOM 586 CZ TYR A 40 6.220 6.362 0.520 1.00 1.48 C ATOM 587 OH TYR A 40 5.404 6.373 -0.588 1.00 1.97 O ATOM 0 H TYR A 40 6.574 7.794 4.300 1.00 0.46 H new ATOM 0 HA TYR A 40 8.903 7.089 5.972 1.00 0.48 H new ATOM 0 HB2 TYR A 40 9.809 6.367 3.638 1.00 0.58 H new ATOM 0 HB3 TYR A 40 8.662 5.332 4.465 1.00 0.58 H new ATOM 0 HD1 TYR A 40 6.143 5.607 3.795 1.00 0.99 H new ATOM 0 HD2 TYR A 40 9.377 7.065 1.434 1.00 0.89 H new ATOM 0 HE1 TYR A 40 4.690 5.629 1.817 1.00 1.38 H new ATOM 0 HE2 TYR A 40 7.921 7.094 -0.543 1.00 1.30 H new ATOM 0 HH TYR A 40 4.512 6.689 -0.334 1.00 1.97 H new ATOM 597 N PRO A 41 9.729 9.476 5.566 1.00 0.47 N ATOM 598 CA PRO A 41 10.457 10.713 5.282 1.00 0.51 C ATOM 599 C PRO A 41 11.894 10.446 4.849 1.00 0.57 C ATOM 600 O PRO A 41 12.581 11.340 4.353 1.00 0.79 O ATOM 601 CB PRO A 41 10.431 11.445 6.621 1.00 0.66 C ATOM 602 CG PRO A 41 10.392 10.357 7.636 1.00 0.75 C ATOM 603 CD PRO A 41 9.589 9.241 7.018 1.00 0.62 C ATOM 0 HA PRO A 41 10.011 11.276 4.462 1.00 0.51 H new ATOM 0 HB2 PRO A 41 11.312 12.075 6.747 1.00 0.66 H new ATOM 0 HB3 PRO A 41 9.560 12.095 6.702 1.00 0.66 H new ATOM 0 HG2 PRO A 41 11.398 10.021 7.887 1.00 0.75 H new ATOM 0 HG3 PRO A 41 9.931 10.703 8.561 1.00 0.75 H new ATOM 0 HD2 PRO A 41 9.975 8.263 7.305 1.00 0.62 H new ATOM 0 HD3 PRO A 41 8.546 9.277 7.331 1.00 0.62 H new ATOM 611 N GLU A 42 12.343 9.209 5.041 1.00 0.48 N ATOM 612 CA GLU A 42 13.698 8.820 4.669 1.00 0.55 C ATOM 613 C GLU A 42 13.790 8.521 3.175 1.00 0.57 C ATOM 614 O GLU A 42 14.755 8.906 2.516 1.00 0.71 O ATOM 615 CB GLU A 42 14.142 7.600 5.479 1.00 0.59 C ATOM 616 CG GLU A 42 13.243 6.387 5.302 1.00 0.58 C ATOM 617 CD GLU A 42 13.746 5.172 6.056 1.00 0.72 C ATOM 618 OE1 GLU A 42 13.371 5.008 7.236 1.00 0.87 O ATOM 619 OE2 GLU A 42 14.515 4.385 5.466 1.00 0.94 O ATOM 0 H GLU A 42 11.787 8.459 5.452 1.00 0.48 H new ATOM 0 HA GLU A 42 14.363 9.654 4.892 1.00 0.55 H new ATOM 0 HB2 GLU A 42 15.158 7.333 5.189 1.00 0.59 H new ATOM 0 HB3 GLU A 42 14.172 7.868 6.535 1.00 0.59 H new ATOM 0 HG2 GLU A 42 12.238 6.632 5.645 1.00 0.58 H new ATOM 0 HG3 GLU A 42 13.169 6.146 4.241 1.00 0.58 H new ATOM 626 N VAL A 43 12.780 7.832 2.649 1.00 0.52 N ATOM 627 CA VAL A 43 12.742 7.483 1.232 1.00 0.60 C ATOM 628 C VAL A 43 12.297 8.672 0.385 1.00 0.51 C ATOM 629 O VAL A 43 11.133 9.062 0.435 1.00 0.52 O ATOM 630 CB VAL A 43 11.779 6.296 0.965 1.00 0.74 C ATOM 631 CG1 VAL A 43 11.164 6.378 -0.426 1.00 0.90 C ATOM 632 CG2 VAL A 43 12.491 4.972 1.123 1.00 0.99 C ATOM 0 H VAL A 43 11.976 7.504 3.184 1.00 0.52 H new ATOM 0 HA VAL A 43 13.755 7.194 0.953 1.00 0.60 H new ATOM 0 HB VAL A 43 10.981 6.362 1.704 1.00 0.74 H new ATOM 0 HG11 VAL A 43 10.495 5.531 -0.579 1.00 0.90 H new ATOM 0 HG12 VAL A 43 10.601 7.307 -0.521 1.00 0.90 H new ATOM 0 HG13 VAL A 43 11.955 6.355 -1.176 1.00 0.90 H new ATOM 0 HG21 VAL A 43 11.792 4.158 0.930 1.00 0.99 H new ATOM 0 HG22 VAL A 43 13.317 4.916 0.414 1.00 0.99 H new ATOM 0 HG23 VAL A 43 12.877 4.886 2.139 1.00 0.99 H new ATOM 642 N PRO A 44 13.210 9.281 -0.394 1.00 0.56 N ATOM 643 CA PRO A 44 12.859 10.396 -1.265 1.00 0.54 C ATOM 644 C PRO A 44 11.702 10.016 -2.180 1.00 0.54 C ATOM 645 O PRO A 44 11.396 8.833 -2.334 1.00 0.60 O ATOM 646 CB PRO A 44 14.132 10.648 -2.090 1.00 0.64 C ATOM 647 CG PRO A 44 15.010 9.467 -1.838 1.00 0.67 C ATOM 648 CD PRO A 44 14.640 8.963 -0.475 1.00 0.76 C ATOM 0 HA PRO A 44 12.539 11.276 -0.707 1.00 0.54 H new ATOM 0 HB2 PRO A 44 13.900 10.745 -3.150 1.00 0.64 H new ATOM 0 HB3 PRO A 44 14.621 11.573 -1.785 1.00 0.64 H new ATOM 0 HG2 PRO A 44 14.856 8.697 -2.594 1.00 0.67 H new ATOM 0 HG3 PRO A 44 16.063 9.747 -1.878 1.00 0.67 H new ATOM 0 HD2 PRO A 44 14.824 7.893 -0.375 1.00 0.76 H new ATOM 0 HD3 PRO A 44 15.211 9.460 0.310 1.00 0.76 H new ATOM 656 N PRO A 45 11.030 11.003 -2.788 1.00 0.56 N ATOM 657 CA PRO A 45 9.905 10.752 -3.692 1.00 0.67 C ATOM 658 C PRO A 45 10.366 10.179 -5.032 1.00 0.77 C ATOM 659 O PRO A 45 9.800 10.492 -6.079 1.00 1.08 O ATOM 660 CB PRO A 45 9.279 12.146 -3.877 1.00 0.72 C ATOM 661 CG PRO A 45 9.910 13.001 -2.825 1.00 0.63 C ATOM 662 CD PRO A 45 11.283 12.440 -2.639 1.00 0.56 C ATOM 0 HA PRO A 45 9.209 10.014 -3.293 1.00 0.67 H new ATOM 0 HB2 PRO A 45 9.478 12.538 -4.875 1.00 0.72 H new ATOM 0 HB3 PRO A 45 8.196 12.110 -3.758 1.00 0.72 H new ATOM 0 HG2 PRO A 45 9.950 14.045 -3.137 1.00 0.63 H new ATOM 0 HG3 PRO A 45 9.341 12.967 -1.896 1.00 0.63 H new ATOM 0 HD2 PRO A 45 11.984 12.813 -3.386 1.00 0.56 H new ATOM 0 HD3 PRO A 45 11.698 12.685 -1.661 1.00 0.56 H new ATOM 670 N GLU A 46 11.397 9.330 -4.986 1.00 0.65 N ATOM 671 CA GLU A 46 11.939 8.710 -6.191 1.00 0.77 C ATOM 672 C GLU A 46 12.480 7.308 -5.900 1.00 0.71 C ATOM 673 O GLU A 46 12.378 6.412 -6.739 1.00 0.81 O ATOM 674 CB GLU A 46 13.047 9.585 -6.781 1.00 0.92 C ATOM 675 CG GLU A 46 14.227 9.790 -5.845 1.00 1.61 C ATOM 676 CD GLU A 46 15.304 10.673 -6.447 1.00 2.17 C ATOM 677 OE1 GLU A 46 16.135 10.153 -7.220 1.00 3.02 O ATOM 678 OE2 GLU A 46 15.316 11.885 -6.144 1.00 2.25 O ATOM 0 H GLU A 46 11.871 9.058 -4.125 1.00 0.65 H new ATOM 0 HA GLU A 46 11.129 8.617 -6.914 1.00 0.77 H new ATOM 0 HB2 GLU A 46 13.403 9.131 -7.706 1.00 0.92 H new ATOM 0 HB3 GLU A 46 12.629 10.557 -7.043 1.00 0.92 H new ATOM 0 HG2 GLU A 46 13.875 10.236 -4.915 1.00 1.61 H new ATOM 0 HG3 GLU A 46 14.657 8.821 -5.591 1.00 1.61 H new ATOM 685 N GLU A 47 13.056 7.121 -4.710 1.00 0.63 N ATOM 686 CA GLU A 47 13.614 5.824 -4.327 1.00 0.66 C ATOM 687 C GLU A 47 12.530 4.893 -3.792 1.00 0.55 C ATOM 688 O GLU A 47 12.806 3.754 -3.413 1.00 0.59 O ATOM 689 CB GLU A 47 14.729 5.997 -3.285 1.00 0.81 C ATOM 690 CG GLU A 47 14.276 5.809 -1.852 1.00 1.25 C ATOM 691 CD GLU A 47 15.437 5.603 -0.897 1.00 1.42 C ATOM 692 OE1 GLU A 47 16.349 6.457 -0.878 1.00 1.58 O ATOM 693 OE2 GLU A 47 15.430 4.594 -0.161 1.00 1.62 O ATOM 0 H GLU A 47 13.147 7.847 -4.000 1.00 0.63 H new ATOM 0 HA GLU A 47 14.041 5.370 -5.222 1.00 0.66 H new ATOM 0 HB2 GLU A 47 15.525 5.283 -3.499 1.00 0.81 H new ATOM 0 HB3 GLU A 47 15.158 6.994 -3.391 1.00 0.81 H new ATOM 0 HG2 GLU A 47 13.702 6.681 -1.538 1.00 1.25 H new ATOM 0 HG3 GLU A 47 13.607 4.950 -1.796 1.00 1.25 H new ATOM 700 N PHE A 48 11.298 5.381 -3.759 1.00 0.48 N ATOM 701 CA PHE A 48 10.180 4.590 -3.264 1.00 0.45 C ATOM 702 C PHE A 48 9.698 3.590 -4.313 1.00 0.41 C ATOM 703 O PHE A 48 9.288 2.479 -3.980 1.00 0.45 O ATOM 704 CB PHE A 48 9.031 5.508 -2.834 1.00 0.54 C ATOM 705 CG PHE A 48 8.311 6.166 -3.979 1.00 1.39 C ATOM 706 CD1 PHE A 48 8.940 7.124 -4.757 1.00 2.39 C ATOM 707 CD2 PHE A 48 7.000 5.828 -4.273 1.00 1.41 C ATOM 708 CE1 PHE A 48 8.277 7.732 -5.806 1.00 3.37 C ATOM 709 CE2 PHE A 48 6.331 6.432 -5.322 1.00 2.36 C ATOM 710 CZ PHE A 48 6.970 7.385 -6.088 1.00 3.35 C ATOM 0 H PHE A 48 11.047 6.320 -4.069 1.00 0.48 H new ATOM 0 HA PHE A 48 10.525 4.024 -2.399 1.00 0.45 H new ATOM 0 HB2 PHE A 48 8.314 4.928 -2.253 1.00 0.54 H new ATOM 0 HB3 PHE A 48 9.425 6.281 -2.174 1.00 0.54 H new ATOM 0 HD1 PHE A 48 9.962 7.399 -4.541 1.00 2.39 H new ATOM 0 HD2 PHE A 48 6.494 5.084 -3.676 1.00 1.41 H new ATOM 0 HE1 PHE A 48 8.780 8.477 -6.404 1.00 3.37 H new ATOM 0 HE2 PHE A 48 5.310 6.158 -5.541 1.00 2.36 H new ATOM 0 HZ PHE A 48 6.449 7.859 -6.907 1.00 3.35 H new ATOM 720 N ARG A 49 9.767 3.990 -5.579 1.00 0.43 N ATOM 721 CA ARG A 49 9.322 3.146 -6.687 1.00 0.47 C ATOM 722 C ARG A 49 9.987 1.767 -6.704 1.00 0.49 C ATOM 723 O ARG A 49 9.297 0.759 -6.856 1.00 0.52 O ATOM 724 CB ARG A 49 9.560 3.847 -8.011 1.00 0.58 C ATOM 725 CG ARG A 49 8.664 5.051 -8.220 1.00 1.06 C ATOM 726 CD ARG A 49 9.427 6.222 -8.810 1.00 1.14 C ATOM 727 NE ARG A 49 8.545 7.340 -9.131 1.00 1.80 N ATOM 728 CZ ARG A 49 8.967 8.493 -9.640 1.00 2.30 C ATOM 729 NH1 ARG A 49 10.258 8.682 -9.881 1.00 2.42 N ATOM 730 NH2 ARG A 49 8.098 9.458 -9.906 1.00 3.07 N ATOM 0 H ARG A 49 10.129 4.899 -5.866 1.00 0.43 H new ATOM 0 HA ARG A 49 8.255 2.981 -6.537 1.00 0.47 H new ATOM 0 HB2 ARG A 49 10.602 4.164 -8.065 1.00 0.58 H new ATOM 0 HB3 ARG A 49 9.400 3.138 -8.824 1.00 0.58 H new ATOM 0 HG2 ARG A 49 7.841 4.782 -8.882 1.00 1.06 H new ATOM 0 HG3 ARG A 49 8.223 5.346 -7.268 1.00 1.06 H new ATOM 0 HD2 ARG A 49 10.189 6.552 -8.104 1.00 1.14 H new ATOM 0 HD3 ARG A 49 9.947 5.899 -9.712 1.00 1.14 H new ATOM 0 HE ARG A 49 7.546 7.230 -8.954 1.00 1.80 H new ATOM 0 HH11 ARG A 49 10.929 7.942 -9.676 1.00 2.42 H new ATOM 0 HH12 ARG A 49 10.580 9.568 -10.272 1.00 2.42 H new ATOM 0 HH21 ARG A 49 7.105 9.316 -9.720 1.00 3.07 H new ATOM 0 HH22 ARG A 49 8.422 10.343 -10.297 1.00 3.07 H new ATOM 744 N PRO A 50 11.328 1.683 -6.578 1.00 0.52 N ATOM 745 CA PRO A 50 12.019 0.393 -6.586 1.00 0.59 C ATOM 746 C PRO A 50 11.456 -0.549 -5.534 1.00 0.58 C ATOM 747 O PRO A 50 11.399 -1.761 -5.744 1.00 0.68 O ATOM 748 CB PRO A 50 13.485 0.740 -6.292 1.00 0.63 C ATOM 749 CG PRO A 50 13.479 2.154 -5.816 1.00 0.58 C ATOM 750 CD PRO A 50 12.265 2.805 -6.420 1.00 0.54 C ATOM 0 HA PRO A 50 11.899 -0.128 -7.536 1.00 0.59 H new ATOM 0 HB2 PRO A 50 13.901 0.074 -5.536 1.00 0.63 H new ATOM 0 HB3 PRO A 50 14.100 0.630 -7.185 1.00 0.63 H new ATOM 0 HG2 PRO A 50 13.440 2.196 -4.728 1.00 0.58 H new ATOM 0 HG3 PRO A 50 14.389 2.670 -6.123 1.00 0.58 H new ATOM 0 HD2 PRO A 50 11.859 3.581 -5.771 1.00 0.54 H new ATOM 0 HD3 PRO A 50 12.494 3.276 -7.376 1.00 0.54 H new ATOM 758 N PHE A 51 11.041 0.009 -4.402 1.00 0.49 N ATOM 759 CA PHE A 51 10.461 -0.793 -3.343 1.00 0.51 C ATOM 760 C PHE A 51 9.024 -1.161 -3.695 1.00 0.45 C ATOM 761 O PHE A 51 8.450 -2.088 -3.122 1.00 0.52 O ATOM 762 CB PHE A 51 10.502 -0.039 -2.015 1.00 0.60 C ATOM 763 CG PHE A 51 10.641 -0.949 -0.831 1.00 0.99 C ATOM 764 CD1 PHE A 51 9.530 -1.563 -0.280 1.00 1.29 C ATOM 765 CD2 PHE A 51 11.884 -1.193 -0.278 1.00 1.44 C ATOM 766 CE1 PHE A 51 9.658 -2.408 0.805 1.00 1.88 C ATOM 767 CE2 PHE A 51 12.020 -2.035 0.807 1.00 2.02 C ATOM 768 CZ PHE A 51 10.905 -2.644 1.350 1.00 2.20 C ATOM 0 H PHE A 51 11.097 1.007 -4.199 1.00 0.49 H new ATOM 0 HA PHE A 51 11.046 -1.707 -3.238 1.00 0.51 H new ATOM 0 HB2 PHE A 51 11.336 0.663 -2.027 1.00 0.60 H new ATOM 0 HB3 PHE A 51 9.591 0.550 -1.909 1.00 0.60 H new ATOM 0 HD1 PHE A 51 8.553 -1.380 -0.703 1.00 1.29 H new ATOM 0 HD2 PHE A 51 12.758 -0.720 -0.700 1.00 1.44 H new ATOM 0 HE1 PHE A 51 8.785 -2.883 1.226 1.00 1.88 H new ATOM 0 HE2 PHE A 51 12.996 -2.218 1.231 1.00 2.02 H new ATOM 0 HZ PHE A 51 11.008 -3.303 2.199 1.00 2.20 H new ATOM 778 N LEU A 52 8.448 -0.425 -4.646 1.00 0.40 N ATOM 779 CA LEU A 52 7.082 -0.677 -5.085 1.00 0.43 C ATOM 780 C LEU A 52 7.030 -1.832 -6.073 1.00 0.44 C ATOM 781 O LEU A 52 5.964 -2.371 -6.344 1.00 0.50 O ATOM 782 CB LEU A 52 6.478 0.565 -5.740 1.00 0.55 C ATOM 783 CG LEU A 52 6.361 1.797 -4.848 1.00 0.56 C ATOM 784 CD1 LEU A 52 5.597 2.890 -5.573 1.00 1.33 C ATOM 785 CD2 LEU A 52 5.681 1.443 -3.537 1.00 1.15 C ATOM 0 H LEU A 52 8.909 0.349 -5.125 1.00 0.40 H new ATOM 0 HA LEU A 52 6.502 -0.935 -4.199 1.00 0.43 H new ATOM 0 HB2 LEU A 52 7.083 0.825 -6.609 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.484 0.311 -6.108 1.00 0.55 H new ATOM 0 HG LEU A 52 7.362 2.164 -4.620 1.00 0.56 H new ATOM 0 HD11 LEU A 52 5.518 3.766 -4.930 1.00 1.33 H new ATOM 0 HD12 LEU A 52 6.126 3.158 -6.488 1.00 1.33 H new ATOM 0 HD13 LEU A 52 4.598 2.532 -5.823 1.00 1.33 H new ATOM 0 HD21 LEU A 52 5.606 2.334 -2.914 1.00 1.15 H new ATOM 0 HD22 LEU A 52 4.682 1.056 -3.738 1.00 1.15 H new ATOM 0 HD23 LEU A 52 6.266 0.684 -3.017 1.00 1.15 H new ATOM 797 N ALA A 53 8.177 -2.209 -6.621 1.00 0.48 N ATOM 798 CA ALA A 53 8.221 -3.310 -7.576 1.00 0.59 C ATOM 799 C ALA A 53 7.565 -4.551 -6.983 1.00 0.60 C ATOM 800 O ALA A 53 7.188 -5.478 -7.701 1.00 0.76 O ATOM 801 CB ALA A 53 9.656 -3.603 -7.987 1.00 0.67 C ATOM 0 H ALA A 53 9.079 -1.776 -6.425 1.00 0.48 H new ATOM 0 HA ALA A 53 7.665 -3.020 -8.467 1.00 0.59 H new ATOM 0 HB1 ALA A 53 9.669 -4.427 -8.700 1.00 0.67 H new ATOM 0 HB2 ALA A 53 10.090 -2.717 -8.449 1.00 0.67 H new ATOM 0 HB3 ALA A 53 10.238 -3.875 -7.107 1.00 0.67 H new ATOM 807 N LYS A 54 7.433 -4.551 -5.661 1.00 0.51 N ATOM 808 CA LYS A 54 6.811 -5.654 -4.941 1.00 0.55 C ATOM 809 C LYS A 54 5.652 -5.143 -4.084 1.00 0.48 C ATOM 810 O LYS A 54 4.994 -5.913 -3.384 1.00 0.57 O ATOM 811 CB LYS A 54 7.847 -6.355 -4.063 1.00 0.62 C ATOM 812 CG LYS A 54 9.053 -6.863 -4.838 1.00 0.76 C ATOM 813 CD LYS A 54 10.111 -7.437 -3.911 1.00 0.94 C ATOM 814 CE LYS A 54 10.766 -6.354 -3.068 1.00 1.21 C ATOM 815 NZ LYS A 54 11.402 -5.304 -3.912 1.00 1.84 N ATOM 0 H LYS A 54 7.753 -3.790 -5.062 1.00 0.51 H new ATOM 0 HA LYS A 54 6.419 -6.369 -5.665 1.00 0.55 H new ATOM 0 HB2 LYS A 54 8.186 -5.664 -3.291 1.00 0.62 H new ATOM 0 HB3 LYS A 54 7.372 -7.194 -3.554 1.00 0.62 H new ATOM 0 HG2 LYS A 54 8.735 -7.628 -5.547 1.00 0.76 H new ATOM 0 HG3 LYS A 54 9.482 -6.048 -5.420 1.00 0.76 H new ATOM 0 HD2 LYS A 54 9.657 -8.182 -3.258 1.00 0.94 H new ATOM 0 HD3 LYS A 54 10.871 -7.950 -4.500 1.00 0.94 H new ATOM 0 HE2 LYS A 54 10.019 -5.896 -2.420 1.00 1.21 H new ATOM 0 HE3 LYS A 54 11.518 -6.803 -2.419 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 12.095 -4.775 -3.345 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 11.884 -5.751 -4.718 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 10.672 -4.652 -4.263 1.00 1.84 H new ATOM 829 N MET A 55 5.417 -3.835 -4.152 1.00 0.38 N ATOM 830 CA MET A 55 4.350 -3.189 -3.391 1.00 0.34 C ATOM 831 C MET A 55 3.518 -2.262 -4.281 1.00 0.33 C ATOM 832 O MET A 55 2.816 -1.379 -3.785 1.00 0.35 O ATOM 833 CB MET A 55 4.956 -2.383 -2.240 1.00 0.33 C ATOM 834 CG MET A 55 5.253 -3.210 -0.998 1.00 0.42 C ATOM 835 SD MET A 55 3.797 -3.440 0.039 1.00 1.95 S ATOM 836 CE MET A 55 3.396 -1.745 0.458 1.00 2.78 C ATOM 0 H MET A 55 5.958 -3.195 -4.733 1.00 0.38 H new ATOM 0 HA MET A 55 3.694 -3.966 -2.997 1.00 0.34 H new ATOM 0 HB2 MET A 55 5.879 -1.916 -2.583 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.271 -1.578 -1.973 1.00 0.33 H new ATOM 0 HG2 MET A 55 5.640 -4.184 -1.297 1.00 0.42 H new ATOM 0 HG3 MET A 55 6.035 -2.721 -0.418 1.00 0.42 H new ATOM 0 HE1 MET A 55 2.922 -1.715 1.439 1.00 2.78 H new ATOM 0 HE2 MET A 55 4.309 -1.149 0.478 1.00 2.78 H new ATOM 0 HE3 MET A 55 2.713 -1.338 -0.287 1.00 2.78 H new ATOM 846 N ARG A 56 3.594 -2.470 -5.594 1.00 0.37 N ATOM 847 CA ARG A 56 2.854 -1.643 -6.545 1.00 0.42 C ATOM 848 C ARG A 56 1.576 -2.336 -7.004 1.00 0.41 C ATOM 849 O ARG A 56 0.635 -1.685 -7.460 1.00 0.43 O ATOM 850 CB ARG A 56 3.730 -1.321 -7.760 1.00 0.54 C ATOM 851 CG ARG A 56 4.014 -2.527 -8.640 1.00 1.09 C ATOM 852 CD ARG A 56 5.195 -2.271 -9.560 1.00 1.35 C ATOM 853 NE ARG A 56 4.879 -1.302 -10.606 1.00 1.81 N ATOM 854 CZ ARG A 56 5.503 -1.255 -11.781 1.00 2.37 C ATOM 855 NH1 ARG A 56 6.467 -2.124 -12.058 1.00 2.58 N ATOM 856 NH2 ARG A 56 5.161 -0.343 -12.679 1.00 3.05 N ATOM 0 H ARG A 56 4.159 -3.203 -6.023 1.00 0.37 H new ATOM 0 HA ARG A 56 2.580 -0.717 -6.039 1.00 0.42 H new ATOM 0 HB2 ARG A 56 3.240 -0.553 -8.358 1.00 0.54 H new ATOM 0 HB3 ARG A 56 4.675 -0.902 -7.415 1.00 0.54 H new ATOM 0 HG2 ARG A 56 4.219 -3.396 -8.015 1.00 1.09 H new ATOM 0 HG3 ARG A 56 3.131 -2.762 -9.234 1.00 1.09 H new ATOM 0 HD2 ARG A 56 6.039 -1.908 -8.973 1.00 1.35 H new ATOM 0 HD3 ARG A 56 5.506 -3.210 -10.018 1.00 1.35 H new ATOM 0 HE ARG A 56 4.139 -0.623 -10.426 1.00 1.81 H new ATOM 0 HH11 ARG A 56 6.731 -2.829 -11.370 1.00 2.58 H new ATOM 0 HH12 ARG A 56 6.944 -2.087 -12.959 1.00 2.58 H new ATOM 0 HH21 ARG A 56 4.419 0.325 -12.471 1.00 3.05 H new ATOM 0 HH22 ARG A 56 5.640 -0.308 -13.579 1.00 3.05 H new ATOM 870 N GLY A 57 1.550 -3.658 -6.890 1.00 0.43 N ATOM 871 CA GLY A 57 0.383 -4.414 -7.304 1.00 0.45 C ATOM 872 C GLY A 57 -0.872 -4.006 -6.559 1.00 0.39 C ATOM 873 O GLY A 57 -1.958 -3.963 -7.135 1.00 0.48 O ATOM 0 H GLY A 57 2.316 -4.220 -6.518 1.00 0.43 H new ATOM 0 HA2 GLY A 57 0.227 -4.276 -8.374 1.00 0.45 H new ATOM 0 HA3 GLY A 57 0.567 -5.476 -7.143 1.00 0.45 H new ATOM 877 N ILE A 58 -0.721 -3.705 -5.275 1.00 0.41 N ATOM 878 CA ILE A 58 -1.847 -3.299 -4.444 1.00 0.39 C ATOM 879 C ILE A 58 -2.159 -1.818 -4.641 1.00 0.40 C ATOM 880 O ILE A 58 -3.173 -1.311 -4.161 1.00 0.47 O ATOM 881 CB ILE A 58 -1.560 -3.563 -2.954 1.00 0.42 C ATOM 882 CG1 ILE A 58 -0.968 -4.958 -2.768 1.00 0.53 C ATOM 883 CG2 ILE A 58 -2.826 -3.408 -2.132 1.00 0.43 C ATOM 884 CD1 ILE A 58 0.535 -4.954 -2.587 1.00 0.71 C ATOM 0 H ILE A 58 0.173 -3.735 -4.786 1.00 0.41 H new ATOM 0 HA ILE A 58 -2.708 -3.893 -4.750 1.00 0.39 H new ATOM 0 HB ILE A 58 -0.834 -2.829 -2.605 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -1.430 -5.428 -1.900 1.00 0.53 H new ATOM 0 HG13 ILE A 58 -1.221 -5.570 -3.634 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -2.604 -3.598 -1.082 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -3.210 -2.394 -2.244 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -3.575 -4.120 -2.479 1.00 0.43 H new ATOM 0 HD11 ILE A 58 0.889 -5.977 -2.460 1.00 0.71 H new ATOM 0 HD12 ILE A 58 1.006 -4.513 -3.466 1.00 0.71 H new ATOM 0 HD13 ILE A 58 0.794 -4.369 -1.705 1.00 0.71 H new ATOM 896 N LEU A 59 -1.277 -1.134 -5.362 1.00 0.44 N ATOM 897 CA LEU A 59 -1.434 0.292 -5.625 1.00 0.49 C ATOM 898 C LEU A 59 -2.548 0.556 -6.633 1.00 0.52 C ATOM 899 O LEU A 59 -3.528 1.231 -6.323 1.00 0.56 O ATOM 900 CB LEU A 59 -0.118 0.868 -6.155 1.00 0.58 C ATOM 901 CG LEU A 59 0.174 2.326 -5.786 1.00 0.88 C ATOM 902 CD1 LEU A 59 1.499 2.762 -6.390 1.00 1.39 C ATOM 903 CD2 LEU A 59 -0.949 3.241 -6.253 1.00 1.71 C ATOM 0 H LEU A 59 -0.442 -1.547 -5.777 1.00 0.44 H new ATOM 0 HA LEU A 59 -1.703 0.778 -4.687 1.00 0.49 H new ATOM 0 HB2 LEU A 59 0.701 0.250 -5.787 1.00 0.58 H new ATOM 0 HB3 LEU A 59 -0.118 0.782 -7.242 1.00 0.58 H new ATOM 0 HG LEU A 59 0.239 2.399 -4.700 1.00 0.88 H new ATOM 0 HD11 LEU A 59 1.697 3.800 -6.122 1.00 1.39 H new ATOM 0 HD12 LEU A 59 2.299 2.129 -6.007 1.00 1.39 H new ATOM 0 HD13 LEU A 59 1.452 2.670 -7.475 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -0.717 4.270 -5.979 1.00 1.71 H new ATOM 0 HD22 LEU A 59 -1.051 3.168 -7.336 1.00 1.71 H new ATOM 0 HD23 LEU A 59 -1.884 2.941 -5.779 1.00 1.71 H new ATOM 915 N LYS A 60 -2.395 0.020 -7.841 1.00 0.59 N ATOM 916 CA LYS A 60 -3.388 0.222 -8.889 1.00 0.68 C ATOM 917 C LYS A 60 -4.672 -0.542 -8.585 1.00 0.65 C ATOM 918 O LYS A 60 -5.721 -0.265 -9.164 1.00 0.74 O ATOM 919 CB LYS A 60 -2.835 -0.192 -10.257 1.00 0.80 C ATOM 920 CG LYS A 60 -2.801 -1.695 -10.491 1.00 0.92 C ATOM 921 CD LYS A 60 -1.589 -2.345 -9.849 1.00 1.07 C ATOM 922 CE LYS A 60 -1.455 -3.797 -10.280 1.00 1.10 C ATOM 923 NZ LYS A 60 -2.650 -4.601 -9.900 1.00 1.60 N ATOM 0 H LYS A 60 -1.598 -0.554 -8.116 1.00 0.59 H new ATOM 0 HA LYS A 60 -3.622 1.286 -8.919 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -3.441 0.271 -11.036 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -1.825 0.203 -10.362 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -3.709 -2.145 -10.089 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -2.794 -1.895 -11.563 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -0.689 -1.796 -10.125 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -1.675 -2.291 -8.764 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -1.314 -3.844 -11.360 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -0.565 -4.231 -9.823 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -2.393 -5.608 -9.860 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -2.993 -4.294 -8.967 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 -3.400 -4.463 -10.607 1.00 1.60 H new ATOM 937 N SER A 61 -4.582 -1.509 -7.681 1.00 0.55 N ATOM 938 CA SER A 61 -5.744 -2.306 -7.304 1.00 0.55 C ATOM 939 C SER A 61 -6.663 -1.518 -6.376 1.00 0.57 C ATOM 940 O SER A 61 -7.884 -1.558 -6.514 1.00 0.71 O ATOM 941 CB SER A 61 -5.302 -3.602 -6.623 1.00 0.51 C ATOM 942 OG SER A 61 -4.571 -4.424 -7.516 1.00 1.20 O ATOM 0 H SER A 61 -3.720 -1.760 -7.196 1.00 0.55 H new ATOM 0 HA SER A 61 -6.295 -2.552 -8.211 1.00 0.55 H new ATOM 0 HB2 SER A 61 -4.688 -3.368 -5.753 1.00 0.51 H new ATOM 0 HB3 SER A 61 -6.176 -4.142 -6.260 1.00 0.51 H new ATOM 0 HG SER A 61 -3.659 -4.544 -7.178 1.00 1.20 H new ATOM 948 N ILE A 62 -6.065 -0.809 -5.426 1.00 0.50 N ATOM 949 CA ILE A 62 -6.829 -0.016 -4.469 1.00 0.56 C ATOM 950 C ILE A 62 -7.189 1.366 -5.019 1.00 0.64 C ATOM 951 O ILE A 62 -8.327 1.816 -4.892 1.00 0.70 O ATOM 952 CB ILE A 62 -6.057 0.150 -3.143 1.00 0.55 C ATOM 953 CG1 ILE A 62 -5.895 -1.210 -2.453 1.00 0.54 C ATOM 954 CG2 ILE A 62 -6.772 1.136 -2.226 1.00 0.65 C ATOM 955 CD1 ILE A 62 -5.150 -1.143 -1.137 1.00 0.79 C ATOM 0 H ILE A 62 -5.054 -0.767 -5.297 1.00 0.50 H new ATOM 0 HA ILE A 62 -7.754 -0.564 -4.286 1.00 0.56 H new ATOM 0 HB ILE A 62 -5.067 0.549 -3.363 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -6.882 -1.639 -2.280 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -5.367 -1.887 -3.125 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -6.213 1.240 -1.296 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -6.841 2.106 -2.718 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -7.774 0.768 -2.007 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -5.076 -2.143 -0.710 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -4.149 -0.745 -1.305 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -5.688 -0.493 -0.447 1.00 0.79 H new ATOM 967 N ALA A 63 -6.214 2.042 -5.618 1.00 0.68 N ATOM 968 CA ALA A 63 -6.431 3.384 -6.158 1.00 0.79 C ATOM 969 C ALA A 63 -7.025 3.376 -7.567 1.00 0.84 C ATOM 970 O ALA A 63 -8.131 3.871 -7.787 1.00 0.90 O ATOM 971 CB ALA A 63 -5.125 4.163 -6.149 1.00 0.88 C ATOM 0 H ALA A 63 -5.267 1.685 -5.743 1.00 0.68 H new ATOM 0 HA ALA A 63 -7.163 3.869 -5.512 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -5.294 5.161 -6.552 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -4.756 4.243 -5.127 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -4.388 3.644 -6.762 1.00 0.88 H new ATOM 977 N SER A 64 -6.285 2.813 -8.519 1.00 0.88 N ATOM 978 CA SER A 64 -6.717 2.782 -9.915 1.00 1.00 C ATOM 979 C SER A 64 -7.923 1.872 -10.149 1.00 0.96 C ATOM 980 O SER A 64 -8.702 2.101 -11.076 1.00 1.11 O ATOM 981 CB SER A 64 -5.560 2.341 -10.813 1.00 1.13 C ATOM 982 OG SER A 64 -5.955 2.298 -12.173 1.00 1.56 O ATOM 0 H SER A 64 -5.382 2.371 -8.349 1.00 0.88 H new ATOM 0 HA SER A 64 -7.026 3.796 -10.168 1.00 1.00 H new ATOM 0 HB2 SER A 64 -4.723 3.029 -10.696 1.00 1.13 H new ATOM 0 HB3 SER A 64 -5.209 1.357 -10.502 1.00 1.13 H new ATOM 0 HG SER A 64 -5.197 2.015 -12.725 1.00 1.56 H new ATOM 988 N ALA A 65 -8.087 0.848 -9.320 1.00 0.84 N ATOM 989 CA ALA A 65 -9.201 -0.084 -9.486 1.00 0.84 C ATOM 990 C ALA A 65 -10.249 0.069 -8.388 1.00 0.75 C ATOM 991 O ALA A 65 -11.446 -0.056 -8.648 1.00 0.82 O ATOM 992 CB ALA A 65 -8.687 -1.515 -9.536 1.00 0.83 C ATOM 0 H ALA A 65 -7.471 0.641 -8.533 1.00 0.84 H new ATOM 0 HA ALA A 65 -9.689 0.155 -10.431 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -9.527 -2.199 -9.660 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -8.001 -1.626 -10.376 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -8.164 -1.746 -8.608 1.00 0.83 H new ATOM 998 N ASP A 66 -9.798 0.336 -7.166 1.00 0.65 N ATOM 999 CA ASP A 66 -10.706 0.494 -6.032 1.00 0.65 C ATOM 1000 C ASP A 66 -11.545 -0.763 -5.833 1.00 0.66 C ATOM 1001 O ASP A 66 -12.613 -0.913 -6.427 1.00 1.01 O ATOM 1002 CB ASP A 66 -11.614 1.710 -6.232 1.00 0.75 C ATOM 1003 CG ASP A 66 -12.537 1.944 -5.052 1.00 1.05 C ATOM 1004 OD1 ASP A 66 -12.125 2.647 -4.107 1.00 1.08 O ATOM 1005 OD2 ASP A 66 -13.673 1.425 -5.074 1.00 1.53 O ATOM 0 H ASP A 66 -8.811 0.448 -6.935 1.00 0.65 H new ATOM 0 HA ASP A 66 -10.104 0.653 -5.137 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -11.000 2.596 -6.390 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -12.210 1.570 -7.134 1.00 0.75 H new ATOM 1010 N MET A 67 -11.048 -1.667 -4.996 1.00 0.55 N ATOM 1011 CA MET A 67 -11.738 -2.921 -4.718 1.00 0.55 C ATOM 1012 C MET A 67 -12.251 -2.956 -3.283 1.00 0.65 C ATOM 1013 O MET A 67 -12.357 -1.921 -2.625 1.00 0.81 O ATOM 1014 CB MET A 67 -10.794 -4.097 -4.958 1.00 0.49 C ATOM 1015 CG MET A 67 -10.200 -4.128 -6.356 1.00 0.49 C ATOM 1016 SD MET A 67 -11.387 -4.658 -7.605 1.00 1.00 S ATOM 1017 CE MET A 67 -10.317 -4.836 -9.030 1.00 1.52 C ATOM 0 H MET A 67 -10.166 -1.554 -4.496 1.00 0.55 H new ATOM 0 HA MET A 67 -12.593 -2.997 -5.390 1.00 0.55 H new ATOM 0 HB2 MET A 67 -9.984 -4.056 -4.230 1.00 0.49 H new ATOM 0 HB3 MET A 67 -11.334 -5.027 -4.782 1.00 0.49 H new ATOM 0 HG2 MET A 67 -9.830 -3.135 -6.611 1.00 0.49 H new ATOM 0 HG3 MET A 67 -9.342 -4.801 -6.367 1.00 0.49 H new ATOM 0 HE1 MET A 67 -10.767 -4.336 -9.888 1.00 1.52 H new ATOM 0 HE2 MET A 67 -9.347 -4.387 -8.815 1.00 1.52 H new ATOM 0 HE3 MET A 67 -10.184 -5.894 -9.256 1.00 1.52 H new ATOM 1027 N ASP A 68 -12.567 -4.155 -2.804 1.00 0.64 N ATOM 1028 CA ASP A 68 -13.069 -4.331 -1.447 1.00 0.77 C ATOM 1029 C ASP A 68 -12.712 -5.712 -0.906 1.00 0.67 C ATOM 1030 O ASP A 68 -12.131 -5.834 0.173 1.00 1.22 O ATOM 1031 CB ASP A 68 -14.584 -4.133 -1.415 1.00 1.02 C ATOM 1032 CG ASP A 68 -15.159 -4.304 -0.023 1.00 1.55 C ATOM 1033 OD1 ASP A 68 -15.234 -3.300 0.715 1.00 1.91 O ATOM 1034 OD2 ASP A 68 -15.535 -5.442 0.329 1.00 1.92 O ATOM 0 H ASP A 68 -12.484 -5.020 -3.337 1.00 0.64 H new ATOM 0 HA ASP A 68 -12.597 -3.582 -0.812 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -14.826 -3.137 -1.785 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -15.056 -4.847 -2.090 1.00 1.02 H new ATOM 1039 N PHE A 69 -13.062 -6.749 -1.661 1.00 0.74 N ATOM 1040 CA PHE A 69 -12.783 -8.121 -1.252 1.00 0.83 C ATOM 1041 C PHE A 69 -12.896 -9.078 -2.439 1.00 0.99 C ATOM 1042 O PHE A 69 -13.506 -8.749 -3.456 1.00 1.85 O ATOM 1043 CB PHE A 69 -13.752 -8.540 -0.140 1.00 1.00 C ATOM 1044 CG PHE A 69 -13.583 -9.962 0.319 1.00 1.45 C ATOM 1045 CD1 PHE A 69 -12.549 -10.311 1.173 1.00 2.08 C ATOM 1046 CD2 PHE A 69 -14.460 -10.949 -0.105 1.00 1.82 C ATOM 1047 CE1 PHE A 69 -12.393 -11.619 1.595 1.00 2.91 C ATOM 1048 CE2 PHE A 69 -14.309 -12.256 0.314 1.00 2.52 C ATOM 1049 CZ PHE A 69 -13.274 -12.592 1.165 1.00 3.05 C ATOM 0 H PHE A 69 -13.539 -6.665 -2.559 1.00 0.74 H new ATOM 0 HA PHE A 69 -11.762 -8.168 -0.875 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -13.617 -7.876 0.714 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -14.774 -8.403 -0.493 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -11.858 -9.554 1.513 1.00 2.08 H new ATOM 0 HD2 PHE A 69 -15.271 -10.692 -0.771 1.00 1.82 H new ATOM 0 HE1 PHE A 69 -11.583 -11.879 2.260 1.00 2.91 H new ATOM 0 HE2 PHE A 69 -14.999 -13.015 -0.023 1.00 2.52 H new ATOM 0 HZ PHE A 69 -13.154 -13.614 1.494 1.00 3.05 H new ATOM 1059 N ASN A 70 -12.293 -10.261 -2.297 1.00 0.86 N ATOM 1060 CA ASN A 70 -12.316 -11.281 -3.339 1.00 0.89 C ATOM 1061 C ASN A 70 -11.538 -10.834 -4.575 1.00 0.83 C ATOM 1062 O ASN A 70 -11.428 -11.575 -5.551 1.00 1.09 O ATOM 1063 CB ASN A 70 -13.756 -11.623 -3.717 1.00 1.03 C ATOM 1064 CG ASN A 70 -13.856 -12.951 -4.433 1.00 1.77 C ATOM 1065 OD1 ASN A 70 -13.673 -12.927 -5.744 1.00 2.50 O flip ATOM 1066 ND2 ASN A 70 -14.087 -13.988 -3.812 1.00 2.40 N flip ATOM 0 H ASN A 70 -11.779 -10.534 -1.460 1.00 0.86 H new ATOM 0 HA ASN A 70 -11.831 -12.173 -2.942 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -14.370 -11.650 -2.817 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -14.160 -10.836 -4.355 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -14.221 -13.958 -2.801 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -14.144 -14.877 -4.308 1.00 2.40 H new ATOM 1073 N GLN A 71 -10.996 -9.624 -4.523 1.00 0.69 N ATOM 1074 CA GLN A 71 -10.225 -9.083 -5.635 1.00 0.68 C ATOM 1075 C GLN A 71 -8.765 -8.910 -5.232 1.00 0.58 C ATOM 1076 O GLN A 71 -7.854 -9.217 -6.000 1.00 0.72 O ATOM 1077 CB GLN A 71 -10.805 -7.739 -6.077 1.00 0.74 C ATOM 1078 CG GLN A 71 -12.275 -7.805 -6.459 1.00 0.88 C ATOM 1079 CD GLN A 71 -12.522 -8.653 -7.692 1.00 1.32 C ATOM 1080 OE1 GLN A 71 -12.768 -9.941 -7.485 1.00 1.79 O flip ATOM 1081 NE2 GLN A 71 -12.495 -8.155 -8.818 1.00 1.90 N flip ATOM 0 H GLN A 71 -11.076 -8.998 -3.722 1.00 0.69 H new ATOM 0 HA GLN A 71 -10.281 -9.784 -6.468 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -10.680 -7.016 -5.271 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -10.234 -7.369 -6.928 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -12.845 -8.211 -5.624 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -12.646 -6.796 -6.637 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -12.302 -7.160 -8.931 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -12.666 -8.738 -9.638 1.00 1.90 H new ATOM 1090 N LEU A 72 -8.559 -8.418 -4.016 1.00 0.45 N ATOM 1091 CA LEU A 72 -7.218 -8.200 -3.489 1.00 0.39 C ATOM 1092 C LEU A 72 -6.701 -9.443 -2.774 1.00 0.41 C ATOM 1093 O LEU A 72 -5.495 -9.683 -2.721 1.00 0.41 O ATOM 1094 CB LEU A 72 -7.223 -7.015 -2.522 1.00 0.40 C ATOM 1095 CG LEU A 72 -6.784 -5.678 -3.113 1.00 0.52 C ATOM 1096 CD1 LEU A 72 -5.331 -5.732 -3.562 1.00 1.10 C ATOM 1097 CD2 LEU A 72 -7.687 -5.293 -4.266 1.00 1.06 C ATOM 0 H LEU A 72 -9.309 -8.161 -3.374 1.00 0.45 H new ATOM 0 HA LEU A 72 -6.556 -7.984 -4.327 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -8.230 -6.901 -2.121 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -6.570 -7.252 -1.682 1.00 0.40 H new ATOM 0 HG LEU A 72 -6.866 -4.916 -2.337 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -5.043 -4.767 -3.979 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -4.695 -5.962 -2.708 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -5.213 -6.505 -4.321 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -7.363 -4.338 -4.679 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -7.635 -6.059 -5.040 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -8.714 -5.205 -3.911 1.00 1.06 H new ATOM 1109 N GLU A 73 -7.621 -10.227 -2.219 1.00 0.49 N ATOM 1110 CA GLU A 73 -7.257 -11.444 -1.502 1.00 0.57 C ATOM 1111 C GLU A 73 -6.517 -12.415 -2.417 1.00 0.59 C ATOM 1112 O GLU A 73 -5.760 -13.268 -1.950 1.00 0.68 O ATOM 1113 CB GLU A 73 -8.507 -12.113 -0.927 1.00 0.67 C ATOM 1114 CG GLU A 73 -8.211 -13.344 -0.083 1.00 0.75 C ATOM 1115 CD GLU A 73 -7.338 -13.034 1.118 1.00 1.45 C ATOM 1116 OE1 GLU A 73 -7.887 -12.620 2.160 1.00 1.76 O ATOM 1117 OE2 GLU A 73 -6.105 -13.206 1.015 1.00 2.25 O ATOM 0 H GLU A 73 -8.623 -10.041 -2.252 1.00 0.49 H new ATOM 0 HA GLU A 73 -6.592 -11.170 -0.683 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -9.048 -11.388 -0.319 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -9.166 -12.396 -1.748 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -9.150 -13.780 0.258 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -7.718 -14.094 -0.702 1.00 0.75 H new ATOM 1124 N ALA A 74 -6.736 -12.276 -3.720 1.00 0.62 N ATOM 1125 CA ALA A 74 -6.088 -13.141 -4.699 1.00 0.70 C ATOM 1126 C ALA A 74 -4.661 -12.683 -4.981 1.00 0.57 C ATOM 1127 O ALA A 74 -3.833 -13.459 -5.459 1.00 0.60 O ATOM 1128 CB ALA A 74 -6.895 -13.176 -5.989 1.00 0.89 C ATOM 0 H ALA A 74 -7.356 -11.573 -4.122 1.00 0.62 H new ATOM 0 HA ALA A 74 -6.043 -14.147 -4.282 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -6.399 -13.825 -6.711 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -7.894 -13.559 -5.783 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -6.970 -12.169 -6.399 1.00 0.89 H new ATOM 1134 N PHE A 75 -4.377 -11.418 -4.682 1.00 0.49 N ATOM 1135 CA PHE A 75 -3.047 -10.862 -4.906 1.00 0.46 C ATOM 1136 C PHE A 75 -2.144 -11.080 -3.700 1.00 0.38 C ATOM 1137 O PHE A 75 -0.974 -11.432 -3.844 1.00 0.47 O ATOM 1138 CB PHE A 75 -3.134 -9.366 -5.216 1.00 0.55 C ATOM 1139 CG PHE A 75 -1.790 -8.737 -5.447 1.00 0.63 C ATOM 1140 CD1 PHE A 75 -1.035 -8.274 -4.382 1.00 0.67 C ATOM 1141 CD2 PHE A 75 -1.277 -8.622 -6.728 1.00 0.76 C ATOM 1142 CE1 PHE A 75 0.207 -7.707 -4.591 1.00 0.82 C ATOM 1143 CE2 PHE A 75 -0.036 -8.055 -6.945 1.00 0.88 C ATOM 1144 CZ PHE A 75 0.708 -7.598 -5.874 1.00 0.91 C ATOM 0 H PHE A 75 -5.049 -10.761 -4.285 1.00 0.49 H new ATOM 0 HA PHE A 75 -2.615 -11.383 -5.761 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -3.755 -9.219 -6.100 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -3.630 -8.857 -4.390 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -1.422 -8.357 -3.377 1.00 0.67 H new ATOM 0 HD2 PHE A 75 -1.854 -8.980 -7.568 1.00 0.76 H new ATOM 0 HE1 PHE A 75 0.786 -7.349 -3.752 1.00 0.82 H new ATOM 0 HE2 PHE A 75 0.352 -7.969 -7.949 1.00 0.88 H new ATOM 0 HZ PHE A 75 1.680 -7.156 -6.040 1.00 0.91 H new ATOM 1154 N LEU A 76 -2.692 -10.852 -2.517 1.00 0.33 N ATOM 1155 CA LEU A 76 -1.943 -11.005 -1.276 1.00 0.36 C ATOM 1156 C LEU A 76 -1.295 -12.388 -1.184 1.00 0.40 C ATOM 1157 O LEU A 76 -0.291 -12.568 -0.495 1.00 0.60 O ATOM 1158 CB LEU A 76 -2.881 -10.772 -0.093 1.00 0.43 C ATOM 1159 CG LEU A 76 -2.268 -10.055 1.113 1.00 0.55 C ATOM 1160 CD1 LEU A 76 -1.184 -10.900 1.755 1.00 0.82 C ATOM 1161 CD2 LEU A 76 -1.718 -8.697 0.710 1.00 0.80 C ATOM 0 H LEU A 76 -3.660 -10.558 -2.388 1.00 0.33 H new ATOM 0 HA LEU A 76 -1.140 -10.268 -1.257 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -3.736 -10.192 -0.440 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -3.264 -11.737 0.238 1.00 0.43 H new ATOM 0 HG LEU A 76 -3.058 -9.901 1.848 1.00 0.55 H new ATOM 0 HD11 LEU A 76 -0.765 -10.367 2.609 1.00 0.82 H new ATOM 0 HD12 LEU A 76 -1.610 -11.845 2.091 1.00 0.82 H new ATOM 0 HD13 LEU A 76 -0.396 -11.095 1.027 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -1.287 -8.205 1.582 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -0.948 -8.827 -0.050 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -2.524 -8.083 0.308 1.00 0.80 H new ATOM 1173 N THR A 77 -1.870 -13.358 -1.882 1.00 0.41 N ATOM 1174 CA THR A 77 -1.338 -14.716 -1.880 1.00 0.49 C ATOM 1175 C THR A 77 -0.239 -14.863 -2.927 1.00 0.47 C ATOM 1176 O THR A 77 0.654 -15.700 -2.795 1.00 0.53 O ATOM 1177 CB THR A 77 -2.445 -15.753 -2.158 1.00 0.63 C ATOM 1178 OG1 THR A 77 -3.523 -15.577 -1.229 1.00 0.73 O ATOM 1179 CG2 THR A 77 -1.905 -17.170 -2.049 1.00 0.71 C ATOM 0 H THR A 77 -2.703 -13.231 -2.456 1.00 0.41 H new ATOM 0 HA THR A 77 -0.925 -14.901 -0.889 1.00 0.49 H new ATOM 0 HB THR A 77 -2.808 -15.598 -3.174 1.00 0.63 H new ATOM 0 HG1 THR A 77 -4.126 -14.878 -1.557 1.00 0.73 H new ATOM 0 HG21 THR A 77 -2.706 -17.881 -2.250 1.00 0.71 H new ATOM 0 HG22 THR A 77 -1.104 -17.311 -2.775 1.00 0.71 H new ATOM 0 HG23 THR A 77 -1.517 -17.335 -1.044 1.00 0.71 H new ATOM 1187 N ALA A 78 -0.313 -14.035 -3.962 1.00 0.45 N ATOM 1188 CA ALA A 78 0.666 -14.059 -5.041 1.00 0.52 C ATOM 1189 C ALA A 78 1.968 -13.383 -4.625 1.00 0.53 C ATOM 1190 O ALA A 78 3.056 -13.867 -4.934 1.00 0.67 O ATOM 1191 CB ALA A 78 0.093 -13.384 -6.275 1.00 0.60 C ATOM 0 H ALA A 78 -1.046 -13.335 -4.077 1.00 0.45 H new ATOM 0 HA ALA A 78 0.891 -15.100 -5.272 1.00 0.52 H new ATOM 0 HB1 ALA A 78 0.831 -13.406 -7.077 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -0.806 -13.912 -6.594 1.00 0.60 H new ATOM 0 HB3 ALA A 78 -0.158 -12.349 -6.041 1.00 0.60 H new ATOM 1197 N GLN A 79 1.849 -12.261 -3.923 1.00 0.47 N ATOM 1198 CA GLN A 79 3.010 -11.511 -3.464 1.00 0.53 C ATOM 1199 C GLN A 79 3.870 -12.346 -2.522 1.00 0.54 C ATOM 1200 O GLN A 79 5.020 -12.003 -2.248 1.00 1.06 O ATOM 1201 CB GLN A 79 2.554 -10.243 -2.749 1.00 0.56 C ATOM 1202 CG GLN A 79 1.569 -10.515 -1.625 1.00 0.96 C ATOM 1203 CD GLN A 79 1.457 -9.360 -0.654 1.00 1.23 C ATOM 1204 OE1 GLN A 79 1.197 -9.557 0.532 1.00 2.20 O ATOM 1205 NE2 GLN A 79 1.670 -8.147 -1.145 1.00 0.61 N ATOM 0 H GLN A 79 0.954 -11.850 -3.659 1.00 0.47 H new ATOM 0 HA GLN A 79 3.611 -11.250 -4.335 1.00 0.53 H new ATOM 0 HB2 GLN A 79 3.425 -9.728 -2.344 1.00 0.56 H new ATOM 0 HB3 GLN A 79 2.094 -9.570 -3.473 1.00 0.56 H new ATOM 0 HG2 GLN A 79 0.587 -10.723 -2.050 1.00 0.96 H new ATOM 0 HG3 GLN A 79 1.879 -11.410 -1.085 1.00 0.96 H new ATOM 0 HE21 GLN A 79 1.883 -8.028 -2.135 1.00 0.61 H new ATOM 0 HE22 GLN A 79 1.621 -7.333 -0.532 1.00 0.61 H new ATOM 1214 N THR A 80 3.304 -13.441 -2.029 1.00 0.63 N ATOM 1215 CA THR A 80 4.015 -14.319 -1.110 1.00 0.65 C ATOM 1216 C THR A 80 4.376 -15.644 -1.772 1.00 0.64 C ATOM 1217 O THR A 80 5.173 -16.417 -1.239 1.00 0.73 O ATOM 1218 CB THR A 80 3.173 -14.599 0.148 1.00 0.77 C ATOM 1219 OG1 THR A 80 1.826 -14.914 -0.225 1.00 1.31 O ATOM 1220 CG2 THR A 80 3.179 -13.399 1.083 1.00 0.44 C ATOM 0 H THR A 80 2.355 -13.741 -2.251 1.00 0.63 H new ATOM 0 HA THR A 80 4.932 -13.804 -0.825 1.00 0.65 H new ATOM 0 HB THR A 80 3.613 -15.448 0.671 1.00 0.77 H new ATOM 0 HG1 THR A 80 1.816 -15.287 -1.131 1.00 1.31 H new ATOM 0 HG21 THR A 80 2.577 -13.621 1.964 1.00 0.44 H new ATOM 0 HG22 THR A 80 4.202 -13.181 1.388 1.00 0.44 H new ATOM 0 HG23 THR A 80 2.762 -12.534 0.568 1.00 0.44 H new ATOM 1228 N LYS A 81 3.785 -15.903 -2.934 1.00 0.68 N ATOM 1229 CA LYS A 81 4.045 -17.138 -3.663 1.00 0.71 C ATOM 1230 C LYS A 81 4.850 -16.872 -4.930 1.00 0.69 C ATOM 1231 O LYS A 81 5.125 -17.789 -5.705 1.00 0.81 O ATOM 1232 CB LYS A 81 2.732 -17.837 -4.014 1.00 0.76 C ATOM 1233 CG LYS A 81 2.029 -18.437 -2.808 1.00 1.54 C ATOM 1234 CD LYS A 81 0.810 -19.247 -3.217 1.00 1.55 C ATOM 1235 CE LYS A 81 0.234 -20.015 -2.037 1.00 2.12 C ATOM 1236 NZ LYS A 81 -0.927 -20.857 -2.436 1.00 3.02 N ATOM 0 H LYS A 81 3.124 -15.275 -3.390 1.00 0.68 H new ATOM 0 HA LYS A 81 4.633 -17.789 -3.016 1.00 0.71 H new ATOM 0 HB2 LYS A 81 2.065 -17.122 -4.496 1.00 0.76 H new ATOM 0 HB3 LYS A 81 2.931 -18.626 -4.739 1.00 0.76 H new ATOM 0 HG2 LYS A 81 2.724 -19.075 -2.261 1.00 1.54 H new ATOM 0 HG3 LYS A 81 1.726 -17.640 -2.129 1.00 1.54 H new ATOM 0 HD2 LYS A 81 0.050 -18.582 -3.627 1.00 1.55 H new ATOM 0 HD3 LYS A 81 1.083 -19.944 -4.009 1.00 1.55 H new ATOM 0 HE2 LYS A 81 1.008 -20.647 -1.602 1.00 2.12 H new ATOM 0 HE3 LYS A 81 -0.076 -19.313 -1.263 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 -1.290 -21.364 -1.604 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 -1.677 -20.252 -2.827 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 -0.626 -21.545 -3.156 1.00 3.02 H new ATOM 1250 N LYS A 82 5.227 -15.614 -5.137 1.00 0.66 N ATOM 1251 CA LYS A 82 6.007 -15.239 -6.312 1.00 0.74 C ATOM 1252 C LYS A 82 7.500 -15.354 -6.023 1.00 0.78 C ATOM 1253 O LYS A 82 7.904 -15.619 -4.891 1.00 0.83 O ATOM 1254 CB LYS A 82 5.678 -13.807 -6.745 1.00 0.72 C ATOM 1255 CG LYS A 82 6.156 -12.750 -5.767 1.00 0.67 C ATOM 1256 CD LYS A 82 6.252 -11.381 -6.424 1.00 0.77 C ATOM 1257 CE LYS A 82 4.883 -10.758 -6.624 1.00 0.76 C ATOM 1258 NZ LYS A 82 4.958 -9.493 -7.408 1.00 1.09 N ATOM 0 H LYS A 82 5.007 -14.840 -4.510 1.00 0.66 H new ATOM 0 HA LYS A 82 5.746 -15.923 -7.120 1.00 0.74 H new ATOM 0 HB2 LYS A 82 6.129 -13.619 -7.719 1.00 0.72 H new ATOM 0 HB3 LYS A 82 4.599 -13.713 -6.870 1.00 0.72 H new ATOM 0 HG2 LYS A 82 5.471 -12.701 -4.920 1.00 0.67 H new ATOM 0 HG3 LYS A 82 7.131 -13.034 -5.372 1.00 0.67 H new ATOM 0 HD2 LYS A 82 6.865 -10.723 -5.807 1.00 0.77 H new ATOM 0 HD3 LYS A 82 6.754 -11.474 -7.387 1.00 0.77 H new ATOM 0 HE2 LYS A 82 4.233 -11.466 -7.139 1.00 0.76 H new ATOM 0 HE3 LYS A 82 4.430 -10.557 -5.653 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 4.003 -9.099 -7.523 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 5.557 -8.808 -6.905 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 5.367 -9.688 -8.344 1.00 1.09 H new ATOM 1272 N GLN A 83 8.314 -15.151 -7.053 1.00 0.87 N ATOM 1273 CA GLN A 83 9.762 -15.219 -6.903 1.00 0.96 C ATOM 1274 C GLN A 83 10.320 -13.849 -6.545 1.00 0.80 C ATOM 1275 O GLN A 83 9.925 -12.838 -7.128 1.00 0.80 O ATOM 1276 CB GLN A 83 10.410 -15.733 -8.187 1.00 1.22 C ATOM 1277 CG GLN A 83 10.047 -14.922 -9.421 1.00 1.37 C ATOM 1278 CD GLN A 83 10.691 -15.462 -10.685 1.00 1.96 C ATOM 1279 OE1 GLN A 83 11.871 -16.056 -10.545 1.00 2.49 O flip ATOM 1280 NE2 GLN A 83 10.134 -15.344 -11.778 1.00 2.57 N flip ATOM 0 H GLN A 83 7.996 -14.938 -7.999 1.00 0.87 H new ATOM 0 HA GLN A 83 9.993 -15.914 -6.096 1.00 0.96 H new ATOM 0 HB2 GLN A 83 11.493 -15.727 -8.065 1.00 1.22 H new ATOM 0 HB3 GLN A 83 10.113 -16.770 -8.344 1.00 1.22 H new ATOM 0 HG2 GLN A 83 8.964 -14.918 -9.543 1.00 1.37 H new ATOM 0 HG3 GLN A 83 10.355 -13.887 -9.274 1.00 1.37 H new ATOM 0 HE21 GLN A 83 9.227 -14.881 -11.841 1.00 2.57 H new ATOM 0 HE22 GLN A 83 10.579 -15.710 -12.620 1.00 2.57 H new ATOM 1289 N GLY A 84 11.239 -13.817 -5.586 1.00 0.98 N ATOM 1290 CA GLY A 84 11.819 -12.556 -5.165 1.00 1.14 C ATOM 1291 C GLY A 84 10.762 -11.600 -4.648 1.00 1.22 C ATOM 1292 O GLY A 84 10.986 -10.393 -4.571 1.00 2.05 O ATOM 0 H GLY A 84 11.591 -14.638 -5.095 1.00 0.98 H new ATOM 0 HA2 GLY A 84 12.559 -12.738 -4.385 1.00 1.14 H new ATOM 0 HA3 GLY A 84 12.345 -12.099 -6.003 1.00 1.14 H new ATOM 1296 N GLY A 85 9.603 -12.155 -4.299 1.00 0.69 N ATOM 1297 CA GLY A 85 8.504 -11.355 -3.793 1.00 0.69 C ATOM 1298 C GLY A 85 8.799 -10.734 -2.447 1.00 0.66 C ATOM 1299 O GLY A 85 9.852 -10.127 -2.248 1.00 0.91 O ATOM 0 H GLY A 85 9.407 -13.154 -4.359 1.00 0.69 H new ATOM 0 HA2 GLY A 85 8.276 -10.566 -4.509 1.00 0.69 H new ATOM 0 HA3 GLY A 85 7.614 -11.979 -3.712 1.00 0.69 H new ATOM 1303 N ILE A 86 7.867 -10.889 -1.517 1.00 0.49 N ATOM 1304 CA ILE A 86 8.026 -10.327 -0.184 1.00 0.48 C ATOM 1305 C ILE A 86 7.919 -11.406 0.890 1.00 0.50 C ATOM 1306 O ILE A 86 7.541 -12.543 0.607 1.00 0.53 O ATOM 1307 CB ILE A 86 6.983 -9.225 0.076 1.00 0.45 C ATOM 1308 CG1 ILE A 86 5.571 -9.817 0.083 1.00 0.43 C ATOM 1309 CG2 ILE A 86 7.108 -8.140 -0.986 1.00 0.50 C ATOM 1310 CD1 ILE A 86 4.488 -8.808 0.400 1.00 0.45 C ATOM 0 H ILE A 86 6.995 -11.398 -1.661 1.00 0.49 H new ATOM 0 HA ILE A 86 9.023 -9.888 -0.134 1.00 0.48 H new ATOM 0 HB ILE A 86 7.168 -8.782 1.055 1.00 0.45 H new ATOM 0 HG12 ILE A 86 5.368 -10.260 -0.892 1.00 0.43 H new ATOM 0 HG13 ILE A 86 5.529 -10.624 0.815 1.00 0.43 H new ATOM 0 HG21 ILE A 86 6.368 -7.361 -0.799 1.00 0.50 H new ATOM 0 HG22 ILE A 86 8.108 -7.707 -0.948 1.00 0.50 H new ATOM 0 HG23 ILE A 86 6.937 -8.574 -1.971 1.00 0.50 H new ATOM 0 HD11 ILE A 86 3.516 -9.301 0.387 1.00 0.45 H new ATOM 0 HD12 ILE A 86 4.665 -8.382 1.388 1.00 0.45 H new ATOM 0 HD13 ILE A 86 4.502 -8.013 -0.346 1.00 0.45 H new ATOM 1322 N THR A 87 8.256 -11.041 2.124 1.00 0.52 N ATOM 1323 CA THR A 87 8.211 -11.982 3.239 1.00 0.57 C ATOM 1324 C THR A 87 6.826 -12.038 3.872 1.00 0.51 C ATOM 1325 O THR A 87 5.921 -11.300 3.480 1.00 0.48 O ATOM 1326 CB THR A 87 9.239 -11.614 4.325 1.00 0.64 C ATOM 1327 OG1 THR A 87 8.959 -10.309 4.845 1.00 1.18 O ATOM 1328 CG2 THR A 87 10.655 -11.649 3.768 1.00 1.27 C ATOM 0 H THR A 87 8.563 -10.102 2.377 1.00 0.52 H new ATOM 0 HA THR A 87 8.454 -12.961 2.827 1.00 0.57 H new ATOM 0 HB THR A 87 9.163 -12.349 5.127 1.00 0.64 H new ATOM 0 HG1 THR A 87 9.617 -10.084 5.536 1.00 1.18 H new ATOM 0 HG21 THR A 87 11.362 -11.385 4.555 1.00 1.27 H new ATOM 0 HG22 THR A 87 10.877 -12.651 3.401 1.00 1.27 H new ATOM 0 HG23 THR A 87 10.741 -10.935 2.949 1.00 1.27 H new ATOM 1336 N SER A 88 6.670 -12.922 4.855 1.00 0.56 N ATOM 1337 CA SER A 88 5.400 -13.079 5.552 1.00 0.53 C ATOM 1338 C SER A 88 5.051 -11.812 6.327 1.00 0.48 C ATOM 1339 O SER A 88 3.902 -11.369 6.327 1.00 0.48 O ATOM 1340 CB SER A 88 5.461 -14.277 6.502 1.00 0.62 C ATOM 1341 OG SER A 88 5.701 -15.479 5.791 1.00 1.53 O ATOM 0 H SER A 88 7.410 -13.541 5.186 1.00 0.56 H new ATOM 0 HA SER A 88 4.621 -13.256 4.810 1.00 0.53 H new ATOM 0 HB2 SER A 88 6.250 -14.122 7.238 1.00 0.62 H new ATOM 0 HB3 SER A 88 4.523 -14.357 7.052 1.00 0.62 H new ATOM 0 HG SER A 88 5.737 -16.230 6.420 1.00 1.53 H new ATOM 1347 N ASP A 89 6.051 -11.235 6.991 1.00 0.51 N ATOM 1348 CA ASP A 89 5.853 -10.014 7.764 1.00 0.51 C ATOM 1349 C ASP A 89 5.332 -8.897 6.869 1.00 0.44 C ATOM 1350 O ASP A 89 4.546 -8.053 7.299 1.00 0.45 O ATOM 1351 CB ASP A 89 7.165 -9.586 8.425 1.00 0.59 C ATOM 1352 CG ASP A 89 7.036 -8.276 9.178 1.00 1.48 C ATOM 1353 OD1 ASP A 89 6.647 -8.309 10.364 1.00 1.85 O ATOM 1354 OD2 ASP A 89 7.321 -7.217 8.580 1.00 2.34 O ATOM 0 H ASP A 89 7.005 -11.594 7.008 1.00 0.51 H new ATOM 0 HA ASP A 89 5.115 -10.213 8.541 1.00 0.51 H new ATOM 0 HB2 ASP A 89 7.493 -10.366 9.113 1.00 0.59 H new ATOM 0 HB3 ASP A 89 7.937 -9.488 7.662 1.00 0.59 H new ATOM 1359 N GLN A 90 5.782 -8.901 5.619 1.00 0.44 N ATOM 1360 CA GLN A 90 5.363 -7.900 4.647 1.00 0.42 C ATOM 1361 C GLN A 90 3.884 -8.061 4.319 1.00 0.39 C ATOM 1362 O GLN A 90 3.133 -7.088 4.296 1.00 0.52 O ATOM 1363 CB GLN A 90 6.201 -8.026 3.371 1.00 0.49 C ATOM 1364 CG GLN A 90 7.622 -7.507 3.523 1.00 0.59 C ATOM 1365 CD GLN A 90 7.774 -6.068 3.068 1.00 0.75 C ATOM 1366 OE1 GLN A 90 7.048 -5.700 2.019 1.00 1.63 O flip ATOM 1367 NE2 GLN A 90 8.546 -5.301 3.642 1.00 0.91 N flip ATOM 0 H GLN A 90 6.440 -9.590 5.255 1.00 0.44 H new ATOM 0 HA GLN A 90 5.517 -6.911 5.078 1.00 0.42 H new ATOM 0 HB2 GLN A 90 6.236 -9.073 3.071 1.00 0.49 H new ATOM 0 HB3 GLN A 90 5.708 -7.480 2.567 1.00 0.49 H new ATOM 0 HG2 GLN A 90 7.923 -7.587 4.567 1.00 0.59 H new ATOM 0 HG3 GLN A 90 8.298 -8.139 2.947 1.00 0.59 H new ATOM 0 HE21 GLN A 90 9.085 -5.626 4.445 1.00 0.91 H new ATOM 0 HE22 GLN A 90 8.647 -4.340 3.315 1.00 0.91 H new ATOM 1376 N ALA A 91 3.475 -9.302 4.076 1.00 0.37 N ATOM 1377 CA ALA A 91 2.087 -9.605 3.745 1.00 0.37 C ATOM 1378 C ALA A 91 1.168 -9.412 4.946 1.00 0.34 C ATOM 1379 O ALA A 91 -0.045 -9.273 4.793 1.00 0.40 O ATOM 1380 CB ALA A 91 1.977 -11.030 3.225 1.00 0.45 C ATOM 0 H ALA A 91 4.088 -10.117 4.102 1.00 0.37 H new ATOM 0 HA ALA A 91 1.768 -8.910 2.969 1.00 0.37 H new ATOM 0 HB1 ALA A 91 0.938 -11.249 2.980 1.00 0.45 H new ATOM 0 HB2 ALA A 91 2.591 -11.140 2.331 1.00 0.45 H new ATOM 0 HB3 ALA A 91 2.323 -11.724 3.991 1.00 0.45 H new ATOM 1386 N ALA A 92 1.748 -9.411 6.140 1.00 0.31 N ATOM 1387 CA ALA A 92 0.973 -9.242 7.366 1.00 0.33 C ATOM 1388 C ALA A 92 0.289 -7.882 7.418 1.00 0.28 C ATOM 1389 O ALA A 92 -0.834 -7.766 7.901 1.00 0.34 O ATOM 1390 CB ALA A 92 1.867 -9.430 8.582 1.00 0.40 C ATOM 0 H ALA A 92 2.751 -9.525 6.287 1.00 0.31 H new ATOM 0 HA ALA A 92 0.193 -10.003 7.373 1.00 0.33 H new ATOM 0 HB1 ALA A 92 1.278 -9.302 9.490 1.00 0.40 H new ATOM 0 HB2 ALA A 92 2.296 -10.432 8.567 1.00 0.40 H new ATOM 0 HB3 ALA A 92 2.668 -8.692 8.562 1.00 0.40 H new ATOM 1396 N VAL A 93 0.972 -6.856 6.921 1.00 0.26 N ATOM 1397 CA VAL A 93 0.427 -5.503 6.923 1.00 0.30 C ATOM 1398 C VAL A 93 -0.427 -5.229 5.682 1.00 0.28 C ATOM 1399 O VAL A 93 -1.429 -4.517 5.755 1.00 0.35 O ATOM 1400 CB VAL A 93 1.560 -4.452 7.031 1.00 0.41 C ATOM 1401 CG1 VAL A 93 1.572 -3.509 5.835 1.00 0.43 C ATOM 1402 CG2 VAL A 93 1.435 -3.672 8.331 1.00 0.55 C ATOM 0 H VAL A 93 1.903 -6.935 6.512 1.00 0.26 H new ATOM 0 HA VAL A 93 -0.218 -5.420 7.798 1.00 0.30 H new ATOM 0 HB VAL A 93 2.510 -4.987 7.031 1.00 0.41 H new ATOM 0 HG11 VAL A 93 2.381 -2.787 5.949 1.00 0.43 H new ATOM 0 HG12 VAL A 93 1.724 -4.083 4.921 1.00 0.43 H new ATOM 0 HG13 VAL A 93 0.620 -2.981 5.778 1.00 0.43 H new ATOM 0 HG21 VAL A 93 2.238 -2.937 8.393 1.00 0.55 H new ATOM 0 HG22 VAL A 93 0.473 -3.161 8.358 1.00 0.55 H new ATOM 0 HG23 VAL A 93 1.505 -4.358 9.175 1.00 0.55 H new ATOM 1412 N ILE A 94 -0.026 -5.796 4.549 1.00 0.24 N ATOM 1413 CA ILE A 94 -0.742 -5.590 3.292 1.00 0.25 C ATOM 1414 C ILE A 94 -2.074 -6.334 3.263 1.00 0.25 C ATOM 1415 O ILE A 94 -3.061 -5.814 2.760 1.00 0.28 O ATOM 1416 CB ILE A 94 0.110 -6.029 2.087 1.00 0.30 C ATOM 1417 CG1 ILE A 94 1.539 -5.507 2.235 1.00 0.40 C ATOM 1418 CG2 ILE A 94 -0.504 -5.525 0.787 1.00 0.31 C ATOM 1419 CD1 ILE A 94 2.497 -6.083 1.219 1.00 0.52 C ATOM 0 H ILE A 94 0.791 -6.402 4.474 1.00 0.24 H new ATOM 0 HA ILE A 94 -0.942 -4.521 3.223 1.00 0.25 H new ATOM 0 HB ILE A 94 0.134 -7.118 2.057 1.00 0.30 H new ATOM 0 HG12 ILE A 94 1.532 -4.421 2.142 1.00 0.40 H new ATOM 0 HG13 ILE A 94 1.901 -5.739 3.237 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.111 -5.845 -0.054 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -1.509 -5.933 0.677 1.00 0.31 H new ATOM 0 HG23 ILE A 94 -0.555 -4.436 0.807 1.00 0.31 H new ATOM 0 HD11 ILE A 94 3.492 -5.670 1.382 1.00 0.52 H new ATOM 0 HD12 ILE A 94 2.532 -7.167 1.326 1.00 0.52 H new ATOM 0 HD13 ILE A 94 2.159 -5.828 0.215 1.00 0.52 H new ATOM 1431 N SER A 95 -2.095 -7.550 3.799 1.00 0.27 N ATOM 1432 CA SER A 95 -3.317 -8.359 3.830 1.00 0.34 C ATOM 1433 C SER A 95 -4.445 -7.632 4.554 1.00 0.39 C ATOM 1434 O SER A 95 -5.612 -8.013 4.458 1.00 0.47 O ATOM 1435 CB SER A 95 -3.049 -9.700 4.518 1.00 0.40 C ATOM 1436 OG SER A 95 -4.206 -10.517 4.510 1.00 0.49 O ATOM 0 H SER A 95 -1.282 -8.000 4.219 1.00 0.27 H new ATOM 0 HA SER A 95 -3.624 -8.533 2.799 1.00 0.34 H new ATOM 0 HB2 SER A 95 -2.233 -10.215 4.012 1.00 0.40 H new ATOM 0 HB3 SER A 95 -2.729 -9.528 5.546 1.00 0.40 H new ATOM 0 HG SER A 95 -4.999 -9.960 4.364 1.00 0.49 H new ATOM 1442 N LYS A 96 -4.079 -6.591 5.280 1.00 0.38 N ATOM 1443 CA LYS A 96 -5.030 -5.807 6.056 1.00 0.46 C ATOM 1444 C LYS A 96 -5.657 -4.691 5.222 1.00 0.45 C ATOM 1445 O LYS A 96 -6.451 -3.897 5.728 1.00 0.53 O ATOM 1446 CB LYS A 96 -4.323 -5.233 7.283 1.00 0.50 C ATOM 1447 CG LYS A 96 -3.259 -6.164 7.830 1.00 0.57 C ATOM 1448 CD LYS A 96 -2.705 -5.676 9.154 1.00 0.80 C ATOM 1449 CE LYS A 96 -3.725 -5.813 10.274 1.00 1.32 C ATOM 1450 NZ LYS A 96 -3.149 -5.442 11.595 1.00 2.12 N ATOM 0 H LYS A 96 -3.116 -6.263 5.350 1.00 0.38 H new ATOM 0 HA LYS A 96 -5.842 -6.461 6.374 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -3.866 -4.279 7.021 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -5.059 -5.031 8.061 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -3.681 -7.161 7.959 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -2.448 -6.252 7.108 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -1.809 -6.244 9.406 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -2.405 -4.632 9.061 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -4.585 -5.178 10.062 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -4.088 -6.840 10.311 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -3.875 -5.548 12.332 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -2.344 -6.064 11.810 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -2.826 -4.454 11.568 1.00 2.12 H new ATOM 1464 N PHE A 97 -5.283 -4.635 3.948 1.00 0.39 N ATOM 1465 CA PHE A 97 -5.777 -3.610 3.029 1.00 0.40 C ATOM 1466 C PHE A 97 -7.300 -3.411 3.074 1.00 0.48 C ATOM 1467 O PHE A 97 -7.791 -2.387 2.600 1.00 0.56 O ATOM 1468 CB PHE A 97 -5.323 -3.891 1.582 1.00 0.37 C ATOM 1469 CG PHE A 97 -5.302 -5.346 1.159 1.00 0.37 C ATOM 1470 CD1 PHE A 97 -6.018 -6.319 1.843 1.00 0.43 C ATOM 1471 CD2 PHE A 97 -4.546 -5.733 0.060 1.00 0.42 C ATOM 1472 CE1 PHE A 97 -5.977 -7.642 1.441 1.00 0.50 C ATOM 1473 CE2 PHE A 97 -4.505 -7.054 -0.345 1.00 0.50 C ATOM 1474 CZ PHE A 97 -5.222 -8.009 0.347 1.00 0.53 C ATOM 0 H PHE A 97 -4.632 -5.295 3.523 1.00 0.39 H new ATOM 0 HA PHE A 97 -5.333 -2.677 3.376 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -5.981 -3.347 0.905 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -4.321 -3.482 1.451 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -6.614 -6.040 2.699 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -3.982 -4.991 -0.486 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -6.537 -8.388 1.985 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -3.913 -7.339 -1.202 1.00 0.50 H new ATOM 0 HZ PHE A 97 -5.192 -9.042 0.032 1.00 0.53 H new ATOM 1484 N TRP A 98 -8.059 -4.360 3.633 1.00 0.52 N ATOM 1485 CA TRP A 98 -9.516 -4.187 3.696 1.00 0.63 C ATOM 1486 C TRP A 98 -10.113 -4.568 5.049 1.00 0.69 C ATOM 1487 O TRP A 98 -11.329 -4.490 5.227 1.00 0.78 O ATOM 1488 CB TRP A 98 -10.234 -4.953 2.574 1.00 0.67 C ATOM 1489 CG TRP A 98 -9.835 -6.393 2.421 1.00 0.66 C ATOM 1490 CD1 TRP A 98 -9.178 -6.938 1.358 1.00 0.74 C ATOM 1491 CD2 TRP A 98 -10.091 -7.477 3.330 1.00 0.72 C ATOM 1492 NE1 TRP A 98 -8.987 -8.282 1.555 1.00 0.85 N ATOM 1493 CE2 TRP A 98 -9.538 -8.639 2.755 1.00 0.83 C ATOM 1494 CE3 TRP A 98 -10.722 -7.582 4.574 1.00 0.78 C ATOM 1495 CZ2 TRP A 98 -9.600 -9.882 3.378 1.00 0.97 C ATOM 1496 CZ3 TRP A 98 -10.782 -8.818 5.191 1.00 0.92 C ATOM 1497 CH2 TRP A 98 -10.223 -9.953 4.592 1.00 1.00 C ATOM 0 H TRP A 98 -7.706 -5.228 4.036 1.00 0.52 H new ATOM 0 HA TRP A 98 -9.681 -3.119 3.557 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -11.308 -4.908 2.756 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -10.049 -4.440 1.630 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -8.854 -6.390 0.486 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -8.511 -8.913 0.911 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -11.155 -6.712 5.045 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -9.171 -10.760 2.918 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -11.268 -8.909 6.151 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -10.285 -10.904 5.100 1.00 1.00 H new ATOM 1508 N LYS A 99 -9.281 -4.971 6.004 1.00 0.75 N ATOM 1509 CA LYS A 99 -9.787 -5.343 7.323 1.00 0.91 C ATOM 1510 C LYS A 99 -9.475 -4.260 8.352 1.00 1.11 C ATOM 1511 O LYS A 99 -10.047 -4.243 9.441 1.00 1.33 O ATOM 1512 CB LYS A 99 -9.205 -6.689 7.765 1.00 0.90 C ATOM 1513 CG LYS A 99 -7.697 -6.681 7.982 1.00 0.87 C ATOM 1514 CD LYS A 99 -7.311 -6.217 9.382 1.00 1.38 C ATOM 1515 CE LYS A 99 -7.964 -7.066 10.458 1.00 1.51 C ATOM 1516 NZ LYS A 99 -7.666 -6.558 11.826 1.00 1.67 N ATOM 0 H LYS A 99 -8.270 -5.048 5.894 1.00 0.75 H new ATOM 0 HA LYS A 99 -10.870 -5.442 7.253 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -9.692 -6.995 8.691 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -9.448 -7.441 7.014 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -7.304 -7.684 7.814 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.231 -6.028 7.245 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -6.228 -6.260 9.493 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -7.604 -5.175 9.513 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -9.043 -7.080 10.304 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -7.616 -8.095 10.369 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -8.130 -7.166 12.531 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -6.638 -6.568 11.984 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -8.021 -5.585 11.920 1.00 1.67 H new