USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=14 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 55 MET CE :methyl -174:sc= -0.0149 (180deg=0) USER MOD Set 1.2: A 90 GLN : amide:sc= -0.0155 K(o=-0.03,f=-9.9!) USER MOD Set 2.1: A 17 ASN : amide:sc= -0.75 K(o=-2.7,f=0) USER MOD Set 2.2: A 38 GLN : amide:sc= -1.99 K(o=-2.7,f=0) 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 21 GLN : amide:sc= -1.8! K(o=-1.8!,f=-0.71) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -130:sc= -0.16 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= -0.0116 (180deg=-0.124) USER MOD Single : A 61 SER OG : rot 180:sc= -0.258 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 144:sc= -0.848 (180deg=-3.58!) USER MOD Single : A 70 ASN : amide:sc= -0.12 X(o=-0.12,f=-0.00088) USER MOD Single : A 71 GLN : amide:sc= -0.807 K(o=-0.81,f=-5!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -9.22! C(o=-9.2!,f=-7.4!) USER MOD Single : A 80 THR OG1 : rot 4:sc= 0.74 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 : amide:sc= 0 X(o=0,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 95 SER OG : rot -19:sc= 0.241 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 7.023 -1.501 10.139 1.00 1.01 N ATOM 104 CA GLY A 9 5.710 -2.009 9.784 1.00 1.09 C ATOM 105 C GLY A 9 4.682 -0.905 9.622 1.00 1.08 C ATOM 106 O GLY A 9 3.663 -1.089 8.957 1.00 1.26 O ATOM 0 HA2 GLY A 9 5.782 -2.573 8.854 1.00 1.09 H new ATOM 0 HA3 GLY A 9 5.373 -2.704 10.553 1.00 1.09 H new ATOM 110 N LYS A 10 4.951 0.244 10.235 1.00 1.12 N ATOM 111 CA LYS A 10 4.044 1.385 10.164 1.00 1.33 C ATOM 112 C LYS A 10 3.827 1.852 8.718 1.00 1.14 C ATOM 113 O LYS A 10 2.687 2.056 8.302 1.00 1.22 O ATOM 114 CB LYS A 10 4.578 2.542 11.016 1.00 1.68 C ATOM 115 CG LYS A 10 3.704 3.787 10.971 1.00 2.23 C ATOM 116 CD LYS A 10 4.220 4.872 11.905 1.00 3.07 C ATOM 117 CE LYS A 10 4.027 4.495 13.365 1.00 3.89 C ATOM 118 NZ LYS A 10 4.531 5.554 14.283 1.00 4.57 N ATOM 0 H LYS A 10 5.792 0.410 10.788 1.00 1.12 H new ATOM 0 HA LYS A 10 3.080 1.062 10.557 1.00 1.33 H new ATOM 0 HB2 LYS A 10 4.668 2.209 12.050 1.00 1.68 H new ATOM 0 HB3 LYS A 10 5.581 2.800 10.676 1.00 1.68 H new ATOM 0 HG2 LYS A 10 3.670 4.171 9.951 1.00 2.23 H new ATOM 0 HG3 LYS A 10 2.683 3.525 11.247 1.00 2.23 H new ATOM 0 HD2 LYS A 10 5.278 5.046 11.711 1.00 3.07 H new ATOM 0 HD3 LYS A 10 3.700 5.807 11.699 1.00 3.07 H new ATOM 0 HE2 LYS A 10 2.968 4.321 13.558 1.00 3.89 H new ATOM 0 HE3 LYS A 10 4.547 3.559 13.570 1.00 3.89 H new ATOM 0 HZ1 LYS A 10 4.381 5.259 15.269 1.00 4.57 H new ATOM 0 HZ2 LYS A 10 5.547 5.703 14.117 1.00 4.57 H new ATOM 0 HZ3 LYS A 10 4.017 6.441 14.105 1.00 4.57 H new ATOM 132 N PRO A 11 4.909 2.029 7.926 1.00 1.03 N ATOM 133 CA PRO A 11 4.794 2.481 6.533 1.00 1.05 C ATOM 134 C PRO A 11 4.131 1.445 5.634 1.00 0.77 C ATOM 135 O PRO A 11 3.154 1.741 4.951 1.00 0.72 O ATOM 136 CB PRO A 11 6.248 2.691 6.104 1.00 1.20 C ATOM 137 CG PRO A 11 7.020 1.774 6.980 1.00 1.49 C ATOM 138 CD PRO A 11 6.318 1.805 8.306 1.00 1.15 C ATOM 0 HA PRO A 11 4.172 3.373 6.451 1.00 1.05 H new ATOM 0 HB2 PRO A 11 6.391 2.451 5.051 1.00 1.20 H new ATOM 0 HB3 PRO A 11 6.558 3.727 6.240 1.00 1.20 H new ATOM 0 HG2 PRO A 11 7.041 0.764 6.570 1.00 1.49 H new ATOM 0 HG3 PRO A 11 8.055 2.101 7.076 1.00 1.49 H new ATOM 0 HD2 PRO A 11 6.446 0.871 8.853 1.00 1.15 H new ATOM 0 HD3 PRO A 11 6.696 2.603 8.945 1.00 1.15 H new ATOM 146 N LEU A 12 4.671 0.229 5.645 1.00 0.70 N ATOM 147 CA LEU A 12 4.144 -0.858 4.824 1.00 0.57 C ATOM 148 C LEU A 12 2.636 -1.003 4.999 1.00 0.48 C ATOM 149 O LEU A 12 1.928 -1.387 4.068 1.00 0.53 O ATOM 150 CB LEU A 12 4.845 -2.171 5.180 1.00 0.61 C ATOM 151 CG LEU A 12 4.651 -3.303 4.170 1.00 0.58 C ATOM 152 CD1 LEU A 12 5.376 -2.989 2.872 1.00 1.01 C ATOM 153 CD2 LEU A 12 5.139 -4.622 4.751 1.00 0.91 C ATOM 0 H LEU A 12 5.476 -0.029 6.216 1.00 0.70 H new ATOM 0 HA LEU A 12 4.339 -0.618 3.779 1.00 0.57 H new ATOM 0 HB2 LEU A 12 5.913 -1.978 5.286 1.00 0.61 H new ATOM 0 HB3 LEU A 12 4.484 -2.506 6.152 1.00 0.61 H new ATOM 0 HG LEU A 12 3.587 -3.395 3.954 1.00 0.58 H new ATOM 0 HD11 LEU A 12 5.227 -3.805 2.165 1.00 1.01 H new ATOM 0 HD12 LEU A 12 4.981 -2.066 2.449 1.00 1.01 H new ATOM 0 HD13 LEU A 12 6.441 -2.870 3.070 1.00 1.01 H new ATOM 0 HD21 LEU A 12 4.994 -5.417 4.020 1.00 0.91 H new ATOM 0 HD22 LEU A 12 6.198 -4.542 4.995 1.00 0.91 H new ATOM 0 HD23 LEU A 12 4.575 -4.852 5.655 1.00 0.91 H new ATOM 165 N SER A 13 2.149 -0.689 6.195 1.00 0.52 N ATOM 166 CA SER A 13 0.723 -0.777 6.485 1.00 0.61 C ATOM 167 C SER A 13 -0.033 0.340 5.778 1.00 0.58 C ATOM 168 O SER A 13 -0.946 0.087 4.991 1.00 0.69 O ATOM 169 CB SER A 13 0.486 -0.717 7.994 1.00 0.78 C ATOM 170 OG SER A 13 -0.897 -0.780 8.300 1.00 1.39 O ATOM 0 H SER A 13 2.720 -0.372 6.978 1.00 0.52 H new ATOM 0 HA SER A 13 0.349 -1.731 6.114 1.00 0.61 H new ATOM 0 HB2 SER A 13 1.006 -1.543 8.479 1.00 0.78 H new ATOM 0 HB3 SER A 13 0.908 0.205 8.394 1.00 0.78 H new ATOM 0 HG SER A 13 -1.019 -0.741 9.272 1.00 1.39 H new ATOM 176 N GLY A 14 0.355 1.579 6.063 1.00 0.56 N ATOM 177 CA GLY A 14 -0.279 2.718 5.427 1.00 0.59 C ATOM 178 C GLY A 14 0.428 3.095 4.144 1.00 0.55 C ATOM 179 O GLY A 14 0.425 4.256 3.735 1.00 0.58 O ATOM 0 H GLY A 14 1.097 1.814 6.723 1.00 0.56 H new ATOM 0 HA2 GLY A 14 -1.322 2.485 5.215 1.00 0.59 H new ATOM 0 HA3 GLY A 14 -0.275 3.567 6.110 1.00 0.59 H new ATOM 183 N LEU A 15 1.043 2.100 3.512 1.00 0.52 N ATOM 184 CA LEU A 15 1.775 2.303 2.270 1.00 0.52 C ATOM 185 C LEU A 15 0.823 2.604 1.126 1.00 0.46 C ATOM 186 O LEU A 15 0.917 3.652 0.490 1.00 0.47 O ATOM 187 CB LEU A 15 2.596 1.058 1.938 1.00 0.57 C ATOM 188 CG LEU A 15 3.997 1.317 1.370 1.00 0.69 C ATOM 189 CD1 LEU A 15 3.930 2.248 0.169 1.00 0.97 C ATOM 190 CD2 LEU A 15 4.917 1.886 2.440 1.00 1.10 C ATOM 0 H LEU A 15 1.047 1.136 3.845 1.00 0.52 H new ATOM 0 HA LEU A 15 2.442 3.155 2.402 1.00 0.52 H new ATOM 0 HB2 LEU A 15 2.696 0.459 2.843 1.00 0.57 H new ATOM 0 HB3 LEU A 15 2.038 0.458 1.219 1.00 0.57 H new ATOM 0 HG LEU A 15 4.409 0.364 1.039 1.00 0.69 H new ATOM 0 HD11 LEU A 15 4.935 2.417 -0.217 1.00 0.97 H new ATOM 0 HD12 LEU A 15 3.314 1.795 -0.608 1.00 0.97 H new ATOM 0 HD13 LEU A 15 3.492 3.200 0.470 1.00 0.97 H new ATOM 0 HD21 LEU A 15 5.905 2.062 2.014 1.00 1.10 H new ATOM 0 HD22 LEU A 15 4.508 2.827 2.809 1.00 1.10 H new ATOM 0 HD23 LEU A 15 4.998 1.178 3.265 1.00 1.10 H new ATOM 202 N LEU A 16 -0.094 1.678 0.865 1.00 0.45 N ATOM 203 CA LEU A 16 -1.061 1.855 -0.208 1.00 0.42 C ATOM 204 C LEU A 16 -1.859 3.130 0.026 1.00 0.40 C ATOM 205 O LEU A 16 -2.435 3.700 -0.901 1.00 0.41 O ATOM 206 CB LEU A 16 -2.004 0.645 -0.311 1.00 0.47 C ATOM 207 CG LEU A 16 -1.335 -0.738 -0.375 1.00 0.53 C ATOM 208 CD1 LEU A 16 -0.079 -0.707 -1.236 1.00 0.86 C ATOM 209 CD2 LEU A 16 -1.016 -1.250 1.023 1.00 0.92 C ATOM 0 H LEU A 16 -0.186 0.802 1.380 1.00 0.45 H new ATOM 0 HA LEU A 16 -0.520 1.936 -1.151 1.00 0.42 H new ATOM 0 HB2 LEU A 16 -2.675 0.661 0.548 1.00 0.47 H new ATOM 0 HB3 LEU A 16 -2.622 0.768 -1.201 1.00 0.47 H new ATOM 0 HG LEU A 16 -2.041 -1.426 -0.840 1.00 0.53 H new ATOM 0 HD11 LEU A 16 0.370 -1.700 -1.261 1.00 0.86 H new ATOM 0 HD12 LEU A 16 -0.340 -0.402 -2.249 1.00 0.86 H new ATOM 0 HD13 LEU A 16 0.633 0.003 -0.815 1.00 0.86 H new ATOM 0 HD21 LEU A 16 -0.543 -2.230 0.953 1.00 0.92 H new ATOM 0 HD22 LEU A 16 -0.339 -0.555 1.519 1.00 0.92 H new ATOM 0 HD23 LEU A 16 -1.937 -1.332 1.599 1.00 0.92 H new ATOM 221 N ASN A 17 -1.881 3.567 1.281 1.00 0.40 N ATOM 222 CA ASN A 17 -2.580 4.785 1.666 1.00 0.42 C ATOM 223 C ASN A 17 -1.850 6.005 1.113 1.00 0.38 C ATOM 224 O ASN A 17 -2.465 6.923 0.569 1.00 0.42 O ATOM 225 CB ASN A 17 -2.667 4.869 3.189 1.00 0.47 C ATOM 226 CG ASN A 17 -3.071 6.247 3.675 1.00 1.38 C ATOM 227 OD1 ASN A 17 -4.256 6.546 3.816 1.00 1.93 O ATOM 228 ND2 ASN A 17 -2.082 7.095 3.938 1.00 2.33 N ATOM 0 H ASN A 17 -1.418 3.090 2.054 1.00 0.40 H new ATOM 0 HA ASN A 17 -3.588 4.765 1.252 1.00 0.42 H new ATOM 0 HB2 ASN A 17 -3.388 4.135 3.549 1.00 0.47 H new ATOM 0 HB3 ASN A 17 -1.701 4.605 3.619 1.00 0.47 H new ATOM 0 HD21 ASN A 17 -2.292 8.036 4.271 1.00 2.33 H new ATOM 0 HD22 ASN A 17 -1.113 6.805 3.807 1.00 2.33 H new ATOM 235 N ALA A 18 -0.530 5.998 1.263 1.00 0.37 N ATOM 236 CA ALA A 18 0.315 7.083 0.779 1.00 0.37 C ATOM 237 C ALA A 18 0.426 7.046 -0.745 1.00 0.38 C ATOM 238 O ALA A 18 0.091 8.014 -1.427 1.00 0.44 O ATOM 239 CB ALA A 18 1.694 6.976 1.407 1.00 0.42 C ATOM 0 H ALA A 18 -0.018 5.244 1.721 1.00 0.37 H new ATOM 0 HA ALA A 18 -0.139 8.032 1.064 1.00 0.37 H new ATOM 0 HB1 ALA A 18 2.323 7.788 1.043 1.00 0.42 H new ATOM 0 HB2 ALA A 18 1.606 7.043 2.491 1.00 0.42 H new ATOM 0 HB3 ALA A 18 2.143 6.020 1.137 1.00 0.42 H new ATOM 245 N LEU A 19 0.882 5.910 -1.272 1.00 0.42 N ATOM 246 CA LEU A 19 1.063 5.737 -2.713 1.00 0.48 C ATOM 247 C LEU A 19 -0.235 5.946 -3.495 1.00 0.52 C ATOM 248 O LEU A 19 -0.244 5.843 -4.722 1.00 0.69 O ATOM 249 CB LEU A 19 1.649 4.355 -3.014 1.00 0.51 C ATOM 250 CG LEU A 19 0.748 3.160 -2.729 1.00 0.61 C ATOM 251 CD1 LEU A 19 -0.230 2.907 -3.864 1.00 0.77 C ATOM 252 CD2 LEU A 19 1.608 1.935 -2.489 1.00 0.94 C ATOM 0 H LEU A 19 1.134 5.091 -0.719 1.00 0.42 H new ATOM 0 HA LEU A 19 1.762 6.506 -3.042 1.00 0.48 H new ATOM 0 HB2 LEU A 19 1.932 4.326 -4.066 1.00 0.51 H new ATOM 0 HB3 LEU A 19 2.565 4.238 -2.434 1.00 0.51 H new ATOM 0 HG LEU A 19 0.157 3.378 -1.839 1.00 0.61 H new ATOM 0 HD11 LEU A 19 -0.854 2.047 -3.622 1.00 0.77 H new ATOM 0 HD12 LEU A 19 -0.861 3.785 -4.003 1.00 0.77 H new ATOM 0 HD13 LEU A 19 0.322 2.707 -4.782 1.00 0.77 H new ATOM 0 HD21 LEU A 19 0.969 1.076 -2.284 1.00 0.94 H new ATOM 0 HD22 LEU A 19 2.212 1.735 -3.374 1.00 0.94 H new ATOM 0 HD23 LEU A 19 2.263 2.112 -1.636 1.00 0.94 H new ATOM 264 N ALA A 20 -1.326 6.232 -2.785 1.00 0.54 N ATOM 265 CA ALA A 20 -2.622 6.454 -3.421 1.00 0.64 C ATOM 266 C ALA A 20 -2.496 7.351 -4.649 1.00 0.78 C ATOM 267 O ALA A 20 -2.665 6.891 -5.778 1.00 1.59 O ATOM 268 CB ALA A 20 -3.601 7.060 -2.427 1.00 0.76 C ATOM 0 H ALA A 20 -1.337 6.315 -1.768 1.00 0.54 H new ATOM 0 HA ALA A 20 -3.000 5.486 -3.751 1.00 0.64 H new ATOM 0 HB1 ALA A 20 -4.563 7.220 -2.915 1.00 0.76 H new ATOM 0 HB2 ALA A 20 -3.730 6.381 -1.584 1.00 0.76 H new ATOM 0 HB3 ALA A 20 -3.213 8.014 -2.069 1.00 0.76 H new ATOM 274 N GLN A 21 -2.190 8.628 -4.419 1.00 0.71 N ATOM 275 CA GLN A 21 -2.046 9.598 -5.504 1.00 0.81 C ATOM 276 C GLN A 21 -3.307 9.639 -6.365 1.00 1.05 C ATOM 277 O GLN A 21 -4.199 10.456 -6.135 1.00 1.54 O ATOM 278 CB GLN A 21 -0.828 9.263 -6.371 1.00 1.12 C ATOM 279 CG GLN A 21 0.482 9.235 -5.599 1.00 1.08 C ATOM 280 CD GLN A 21 1.675 8.930 -6.485 1.00 1.24 C ATOM 281 OE1 GLN A 21 1.546 8.256 -7.507 1.00 1.87 O ATOM 282 NE2 GLN A 21 2.849 9.421 -6.095 1.00 1.21 N ATOM 0 H GLN A 21 -2.037 9.015 -3.488 1.00 0.71 H new ATOM 0 HA GLN A 21 -1.898 10.581 -5.058 1.00 0.81 H new ATOM 0 HB2 GLN A 21 -0.984 8.292 -6.841 1.00 1.12 H new ATOM 0 HB3 GLN A 21 -0.751 9.997 -7.173 1.00 1.12 H new ATOM 0 HG2 GLN A 21 0.633 10.198 -5.112 1.00 1.08 H new ATOM 0 HG3 GLN A 21 0.419 8.485 -4.810 1.00 1.08 H new ATOM 0 HE21 GLN A 21 2.912 9.975 -5.241 1.00 1.21 H new ATOM 0 HE22 GLN A 21 3.686 9.243 -6.650 1.00 1.21 H new ATOM 404 N ILE A 30 -4.063 14.049 -1.511 1.00 1.02 N ATOM 405 CA ILE A 30 -2.832 13.277 -1.401 1.00 0.84 C ATOM 406 C ILE A 30 -1.775 13.790 -2.380 1.00 0.87 C ATOM 407 O ILE A 30 -1.955 13.733 -3.596 1.00 1.18 O ATOM 408 CB ILE A 30 -3.097 11.772 -1.649 1.00 0.87 C ATOM 409 CG1 ILE A 30 -1.809 10.958 -1.487 1.00 0.77 C ATOM 410 CG2 ILE A 30 -3.706 11.548 -3.026 1.00 1.08 C ATOM 411 CD1 ILE A 30 -1.399 10.752 -0.044 1.00 0.75 C ATOM 0 HA ILE A 30 -2.455 13.401 -0.386 1.00 0.84 H new ATOM 0 HB ILE A 30 -3.813 11.428 -0.902 1.00 0.87 H new ATOM 0 HG12 ILE A 30 -1.942 9.985 -1.960 1.00 0.77 H new ATOM 0 HG13 ILE A 30 -1.001 11.463 -2.017 1.00 0.77 H new ATOM 0 HG21 ILE A 30 -3.883 10.483 -3.177 1.00 1.08 H new ATOM 0 HG22 ILE A 30 -4.651 12.087 -3.098 1.00 1.08 H new ATOM 0 HG23 ILE A 30 -3.021 11.914 -3.791 1.00 1.08 H new ATOM 0 HD11 ILE A 30 -0.479 10.168 -0.007 1.00 0.75 H new ATOM 0 HD12 ILE A 30 -1.233 11.720 0.429 1.00 0.75 H new ATOM 0 HD13 ILE A 30 -2.189 10.220 0.486 1.00 0.75 H new ATOM 423 N THR A 31 -0.676 14.307 -1.838 1.00 0.88 N ATOM 424 CA THR A 31 0.408 14.831 -2.661 1.00 0.97 C ATOM 425 C THR A 31 1.574 13.849 -2.705 1.00 0.86 C ATOM 426 O THR A 31 1.735 13.026 -1.805 1.00 0.78 O ATOM 427 CB THR A 31 0.902 16.195 -2.140 1.00 1.07 C ATOM 428 OG1 THR A 31 -0.211 17.082 -1.966 1.00 1.72 O ATOM 429 CG2 THR A 31 1.902 16.820 -3.101 1.00 1.06 C ATOM 0 H THR A 31 -0.513 14.374 -0.833 1.00 0.88 H new ATOM 0 HA THR A 31 0.014 14.967 -3.668 1.00 0.97 H new ATOM 0 HB THR A 31 1.398 16.032 -1.183 1.00 1.07 H new ATOM 0 HG1 THR A 31 0.109 17.947 -1.633 1.00 1.72 H new ATOM 0 HG21 THR A 31 2.233 17.781 -2.707 1.00 1.06 H new ATOM 0 HG22 THR A 31 2.761 16.159 -3.213 1.00 1.06 H new ATOM 0 HG23 THR A 31 1.429 16.969 -4.072 1.00 1.06 H new ATOM 437 N GLU A 32 2.383 13.935 -3.756 1.00 0.93 N ATOM 438 CA GLU A 32 3.528 13.042 -3.915 1.00 0.95 C ATOM 439 C GLU A 32 4.544 13.227 -2.792 1.00 0.84 C ATOM 440 O GLU A 32 4.997 12.253 -2.189 1.00 0.91 O ATOM 441 CB GLU A 32 4.195 13.279 -5.270 1.00 1.15 C ATOM 442 CG GLU A 32 3.259 13.085 -6.453 1.00 1.47 C ATOM 443 CD GLU A 32 3.930 13.375 -7.781 1.00 1.59 C ATOM 444 OE1 GLU A 32 3.955 14.556 -8.188 1.00 1.98 O ATOM 445 OE2 GLU A 32 4.431 12.422 -8.414 1.00 1.56 O ATOM 0 H GLU A 32 2.268 14.612 -4.510 1.00 0.93 H new ATOM 0 HA GLU A 32 3.160 12.017 -3.867 1.00 0.95 H new ATOM 0 HB2 GLU A 32 4.595 14.293 -5.296 1.00 1.15 H new ATOM 0 HB3 GLU A 32 5.042 12.600 -5.372 1.00 1.15 H new ATOM 0 HG2 GLU A 32 2.888 12.060 -6.454 1.00 1.47 H new ATOM 0 HG3 GLU A 32 2.393 13.737 -6.337 1.00 1.47 H new ATOM 452 N GLU A 33 4.902 14.477 -2.512 1.00 0.80 N ATOM 453 CA GLU A 33 5.865 14.776 -1.457 1.00 0.79 C ATOM 454 C GLU A 33 5.236 14.570 -0.084 1.00 0.64 C ATOM 455 O GLU A 33 5.933 14.506 0.929 1.00 0.70 O ATOM 456 CB GLU A 33 6.372 16.213 -1.588 1.00 0.97 C ATOM 457 CG GLU A 33 5.280 17.259 -1.426 1.00 1.63 C ATOM 458 CD GLU A 33 5.814 18.675 -1.513 1.00 2.05 C ATOM 459 OE1 GLU A 33 6.284 19.197 -0.480 1.00 2.64 O ATOM 460 OE2 GLU A 33 5.763 19.263 -2.614 1.00 2.36 O ATOM 0 H GLU A 33 4.541 15.297 -2.999 1.00 0.80 H new ATOM 0 HA GLU A 33 6.708 14.094 -1.562 1.00 0.79 H new ATOM 0 HB2 GLU A 33 7.145 16.387 -0.839 1.00 0.97 H new ATOM 0 HB3 GLU A 33 6.841 16.337 -2.564 1.00 0.97 H new ATOM 0 HG2 GLU A 33 4.523 17.112 -2.197 1.00 1.63 H new ATOM 0 HG3 GLU A 33 4.787 17.119 -0.464 1.00 1.63 H new ATOM 467 N LEU A 34 3.913 14.470 -0.064 1.00 0.54 N ATOM 468 CA LEU A 34 3.174 14.271 1.176 1.00 0.49 C ATOM 469 C LEU A 34 3.174 12.804 1.569 1.00 0.43 C ATOM 470 O LEU A 34 3.653 12.434 2.639 1.00 0.46 O ATOM 471 CB LEU A 34 1.728 14.751 1.008 1.00 0.57 C ATOM 472 CG LEU A 34 0.909 14.899 2.297 1.00 0.91 C ATOM 473 CD1 LEU A 34 0.436 13.540 2.786 1.00 1.75 C ATOM 474 CD2 LEU A 34 1.714 15.609 3.379 1.00 1.48 C ATOM 0 H LEU A 34 3.327 14.524 -0.897 1.00 0.54 H new ATOM 0 HA LEU A 34 3.662 14.849 1.961 1.00 0.49 H new ATOM 0 HB2 LEU A 34 1.744 15.715 0.500 1.00 0.57 H new ATOM 0 HB3 LEU A 34 1.209 14.053 0.351 1.00 0.57 H new ATOM 0 HG LEU A 34 0.035 15.510 2.074 1.00 0.91 H new ATOM 0 HD11 LEU A 34 -0.143 13.664 3.701 1.00 1.75 H new ATOM 0 HD12 LEU A 34 -0.187 13.075 2.022 1.00 1.75 H new ATOM 0 HD13 LEU A 34 1.299 12.905 2.986 1.00 1.75 H new ATOM 0 HD21 LEU A 34 1.109 15.700 4.281 1.00 1.48 H new ATOM 0 HD22 LEU A 34 2.612 15.033 3.601 1.00 1.48 H new ATOM 0 HD23 LEU A 34 1.997 16.602 3.030 1.00 1.48 H new ATOM 486 N LEU A 35 2.621 11.984 0.689 1.00 0.45 N ATOM 487 CA LEU A 35 2.520 10.557 0.905 1.00 0.49 C ATOM 488 C LEU A 35 3.857 9.946 1.313 1.00 0.43 C ATOM 489 O LEU A 35 3.905 9.033 2.138 1.00 0.50 O ATOM 490 CB LEU A 35 1.987 9.907 -0.369 1.00 0.63 C ATOM 491 CG LEU A 35 3.014 9.637 -1.469 1.00 0.64 C ATOM 492 CD1 LEU A 35 3.623 8.253 -1.307 1.00 0.89 C ATOM 493 CD2 LEU A 35 2.367 9.777 -2.838 1.00 1.08 C ATOM 0 H LEU A 35 2.229 12.296 -0.199 1.00 0.45 H new ATOM 0 HA LEU A 35 1.832 10.373 1.730 1.00 0.49 H new ATOM 0 HB2 LEU A 35 1.516 8.961 -0.100 1.00 0.63 H new ATOM 0 HB3 LEU A 35 1.206 10.547 -0.779 1.00 0.63 H new ATOM 0 HG LEU A 35 3.813 10.373 -1.384 1.00 0.64 H new ATOM 0 HD11 LEU A 35 4.351 8.081 -2.100 1.00 0.89 H new ATOM 0 HD12 LEU A 35 4.118 8.184 -0.338 1.00 0.89 H new ATOM 0 HD13 LEU A 35 2.837 7.500 -1.367 1.00 0.89 H new ATOM 0 HD21 LEU A 35 3.109 9.582 -3.613 1.00 1.08 H new ATOM 0 HD22 LEU A 35 1.550 9.061 -2.929 1.00 1.08 H new ATOM 0 HD23 LEU A 35 1.978 10.788 -2.955 1.00 1.08 H new ATOM 505 N ARG A 36 4.940 10.449 0.734 1.00 0.38 N ATOM 506 CA ARG A 36 6.269 9.946 1.048 1.00 0.38 C ATOM 507 C ARG A 36 6.600 10.205 2.509 1.00 0.34 C ATOM 508 O ARG A 36 6.904 9.284 3.263 1.00 0.37 O ATOM 509 CB ARG A 36 7.314 10.615 0.158 1.00 0.46 C ATOM 510 CG ARG A 36 8.523 9.741 -0.121 1.00 1.18 C ATOM 511 CD ARG A 36 8.500 9.223 -1.548 1.00 1.73 C ATOM 512 NE ARG A 36 7.672 8.033 -1.692 1.00 2.64 N ATOM 513 CZ ARG A 36 6.654 7.940 -2.544 1.00 3.41 C ATOM 514 NH1 ARG A 36 6.325 8.972 -3.308 1.00 3.46 N ATOM 515 NH2 ARG A 36 5.967 6.809 -2.633 1.00 4.28 N ATOM 0 H ARG A 36 4.923 11.203 0.047 1.00 0.38 H new ATOM 0 HA ARG A 36 6.282 8.872 0.865 1.00 0.38 H new ATOM 0 HB2 ARG A 36 6.850 10.891 -0.789 1.00 0.46 H new ATOM 0 HB3 ARG A 36 7.645 11.539 0.632 1.00 0.46 H new ATOM 0 HG2 ARG A 36 9.436 10.312 0.048 1.00 1.18 H new ATOM 0 HG3 ARG A 36 8.538 8.902 0.574 1.00 1.18 H new ATOM 0 HD2 ARG A 36 8.127 10.005 -2.210 1.00 1.73 H new ATOM 0 HD3 ARG A 36 9.517 8.995 -1.866 1.00 1.73 H new ATOM 0 HE ARG A 36 7.885 7.225 -1.107 1.00 2.64 H new ATOM 0 HH11 ARG A 36 6.853 9.842 -3.244 1.00 3.46 H new ATOM 0 HH12 ARG A 36 5.544 8.896 -3.959 1.00 3.46 H new ATOM 0 HH21 ARG A 36 6.219 6.012 -2.049 1.00 4.28 H new ATOM 0 HH22 ARG A 36 5.186 6.736 -3.286 1.00 4.28 H new ATOM 529 N SER A 37 6.521 11.469 2.899 1.00 0.36 N ATOM 530 CA SER A 37 6.813 11.872 4.264 1.00 0.40 C ATOM 531 C SER A 37 5.733 11.370 5.219 1.00 0.40 C ATOM 532 O SER A 37 5.949 11.289 6.428 1.00 0.46 O ATOM 533 CB SER A 37 6.921 13.394 4.355 1.00 0.47 C ATOM 534 OG SER A 37 7.966 13.883 3.531 1.00 1.33 O ATOM 0 H SER A 37 6.255 12.237 2.283 1.00 0.36 H new ATOM 0 HA SER A 37 7.766 11.429 4.553 1.00 0.40 H new ATOM 0 HB2 SER A 37 5.976 13.847 4.056 1.00 0.47 H new ATOM 0 HB3 SER A 37 7.102 13.687 5.389 1.00 0.47 H new ATOM 0 HG SER A 37 8.012 14.859 3.606 1.00 1.33 H new ATOM 540 N GLN A 38 4.569 11.038 4.663 1.00 0.36 N ATOM 541 CA GLN A 38 3.441 10.567 5.456 1.00 0.39 C ATOM 542 C GLN A 38 3.822 9.373 6.327 1.00 0.43 C ATOM 543 O GLN A 38 3.393 9.276 7.477 1.00 0.67 O ATOM 544 CB GLN A 38 2.280 10.191 4.536 1.00 0.42 C ATOM 545 CG GLN A 38 0.928 10.670 5.036 1.00 0.74 C ATOM 546 CD GLN A 38 -0.213 10.267 4.121 1.00 1.11 C ATOM 547 OE1 GLN A 38 -1.218 10.970 4.018 1.00 1.74 O ATOM 548 NE2 GLN A 38 -0.066 9.129 3.451 1.00 1.84 N ATOM 0 H GLN A 38 4.385 11.088 3.661 1.00 0.36 H new ATOM 0 HA GLN A 38 3.137 11.378 6.118 1.00 0.39 H new ATOM 0 HB2 GLN A 38 2.461 10.610 3.546 1.00 0.42 H new ATOM 0 HB3 GLN A 38 2.253 9.107 4.423 1.00 0.42 H new ATOM 0 HG2 GLN A 38 0.750 10.265 6.032 1.00 0.74 H new ATOM 0 HG3 GLN A 38 0.945 11.756 5.132 1.00 0.74 H new ATOM 0 HE21 GLN A 38 0.783 8.576 3.565 1.00 1.84 H new ATOM 0 HE22 GLN A 38 -0.803 8.808 2.822 1.00 1.84 H new ATOM 557 N LEU A 39 4.628 8.466 5.780 1.00 0.41 N ATOM 558 CA LEU A 39 5.046 7.283 6.525 1.00 0.53 C ATOM 559 C LEU A 39 6.539 7.005 6.352 1.00 0.51 C ATOM 560 O LEU A 39 7.214 6.607 7.302 1.00 0.61 O ATOM 561 CB LEU A 39 4.238 6.060 6.085 1.00 0.69 C ATOM 562 CG LEU A 39 2.718 6.222 6.159 1.00 0.78 C ATOM 563 CD1 LEU A 39 2.147 6.573 4.793 1.00 1.09 C ATOM 564 CD2 LEU A 39 2.077 4.953 6.696 1.00 1.07 C ATOM 0 H LEU A 39 5.001 8.527 4.833 1.00 0.41 H new ATOM 0 HA LEU A 39 4.858 7.480 7.580 1.00 0.53 H new ATOM 0 HB2 LEU A 39 4.512 5.814 5.059 1.00 0.69 H new ATOM 0 HB3 LEU A 39 4.527 5.211 6.705 1.00 0.69 H new ATOM 0 HG LEU A 39 2.492 7.041 6.842 1.00 0.78 H new ATOM 0 HD11 LEU A 39 1.065 6.684 4.868 1.00 1.09 H new ATOM 0 HD12 LEU A 39 2.584 7.509 4.446 1.00 1.09 H new ATOM 0 HD13 LEU A 39 2.382 5.778 4.085 1.00 1.09 H new ATOM 0 HD21 LEU A 39 0.996 5.083 6.743 1.00 1.07 H new ATOM 0 HD22 LEU A 39 2.314 4.118 6.036 1.00 1.07 H new ATOM 0 HD23 LEU A 39 2.461 4.746 7.695 1.00 1.07 H new ATOM 576 N TYR A 40 7.052 7.214 5.141 1.00 0.46 N ATOM 577 CA TYR A 40 8.466 6.971 4.863 1.00 0.48 C ATOM 578 C TYR A 40 9.198 8.260 4.495 1.00 0.42 C ATOM 579 O TYR A 40 9.417 8.543 3.316 1.00 0.46 O ATOM 580 CB TYR A 40 8.639 5.937 3.742 1.00 0.58 C ATOM 581 CG TYR A 40 7.478 5.856 2.774 1.00 0.63 C ATOM 582 CD1 TYR A 40 6.278 5.260 3.144 1.00 0.99 C ATOM 583 CD2 TYR A 40 7.587 6.361 1.486 1.00 0.89 C ATOM 584 CE1 TYR A 40 5.222 5.172 2.258 1.00 1.38 C ATOM 585 CE2 TYR A 40 6.535 6.277 0.596 1.00 1.30 C ATOM 586 CZ TYR A 40 5.356 5.681 0.986 1.00 1.48 C ATOM 587 OH TYR A 40 4.309 5.593 0.099 1.00 1.97 O ATOM 0 H TYR A 40 6.514 7.549 4.342 1.00 0.46 H new ATOM 0 HA TYR A 40 8.906 6.576 5.779 1.00 0.48 H new ATOM 0 HB2 TYR A 40 9.545 6.174 3.184 1.00 0.58 H new ATOM 0 HB3 TYR A 40 8.789 4.955 4.191 1.00 0.58 H new ATOM 0 HD1 TYR A 40 6.169 4.859 4.141 1.00 0.99 H new ATOM 0 HD2 TYR A 40 8.510 6.827 1.175 1.00 0.89 H new ATOM 0 HE1 TYR A 40 4.296 4.706 2.562 1.00 1.38 H new ATOM 0 HE2 TYR A 40 6.636 6.677 -0.402 1.00 1.30 H new ATOM 0 HH TYR A 40 4.630 5.223 -0.750 1.00 1.97 H new ATOM 597 N PRO A 41 9.584 9.065 5.502 1.00 0.47 N ATOM 598 CA PRO A 41 10.303 10.318 5.273 1.00 0.51 C ATOM 599 C PRO A 41 11.749 10.067 4.864 1.00 0.57 C ATOM 600 O PRO A 41 12.462 10.987 4.461 1.00 0.79 O ATOM 601 CB PRO A 41 10.242 11.015 6.632 1.00 0.66 C ATOM 602 CG PRO A 41 10.147 9.902 7.616 1.00 0.75 C ATOM 603 CD PRO A 41 9.349 8.820 6.940 1.00 0.62 C ATOM 0 HA PRO A 41 9.869 10.906 4.465 1.00 0.51 H new ATOM 0 HB2 PRO A 41 11.129 11.624 6.806 1.00 0.66 H new ATOM 0 HB3 PRO A 41 9.380 11.679 6.699 1.00 0.66 H new ATOM 0 HG2 PRO A 41 11.137 9.541 7.894 1.00 0.75 H new ATOM 0 HG3 PRO A 41 9.659 10.232 8.533 1.00 0.75 H new ATOM 0 HD2 PRO A 41 9.686 7.827 7.238 1.00 0.62 H new ATOM 0 HD3 PRO A 41 8.290 8.886 7.191 1.00 0.62 H new ATOM 611 N GLU A 42 12.172 8.811 4.975 1.00 0.48 N ATOM 612 CA GLU A 42 13.531 8.426 4.616 1.00 0.55 C ATOM 613 C GLU A 42 13.663 8.260 3.107 1.00 0.57 C ATOM 614 O GLU A 42 14.712 8.552 2.531 1.00 0.71 O ATOM 615 CB GLU A 42 13.923 7.125 5.319 1.00 0.59 C ATOM 616 CG GLU A 42 13.043 5.941 4.952 1.00 0.58 C ATOM 617 CD GLU A 42 13.579 4.630 5.492 1.00 0.72 C ATOM 618 OE1 GLU A 42 13.300 4.313 6.667 1.00 0.87 O ATOM 619 OE2 GLU A 42 14.277 3.919 4.739 1.00 0.94 O ATOM 0 H GLU A 42 11.592 8.043 5.311 1.00 0.48 H new ATOM 0 HA GLU A 42 14.204 9.220 4.941 1.00 0.55 H new ATOM 0 HB2 GLU A 42 14.958 6.887 5.072 1.00 0.59 H new ATOM 0 HB3 GLU A 42 13.879 7.278 6.397 1.00 0.59 H new ATOM 0 HG2 GLU A 42 12.038 6.106 5.339 1.00 0.58 H new ATOM 0 HG3 GLU A 42 12.960 5.877 3.867 1.00 0.58 H new ATOM 626 N VAL A 43 12.593 7.793 2.469 1.00 0.52 N ATOM 627 CA VAL A 43 12.595 7.592 1.030 1.00 0.60 C ATOM 628 C VAL A 43 12.225 8.880 0.310 1.00 0.51 C ATOM 629 O VAL A 43 11.385 9.641 0.786 1.00 0.52 O ATOM 630 CB VAL A 43 11.623 6.463 0.620 1.00 0.74 C ATOM 631 CG1 VAL A 43 10.972 6.741 -0.728 1.00 0.90 C ATOM 632 CG2 VAL A 43 12.360 5.143 0.583 1.00 0.99 C ATOM 0 H VAL A 43 11.716 7.548 2.929 1.00 0.52 H new ATOM 0 HA VAL A 43 13.604 7.298 0.739 1.00 0.60 H new ATOM 0 HB VAL A 43 10.828 6.416 1.364 1.00 0.74 H new ATOM 0 HG11 VAL A 43 10.296 5.924 -0.981 1.00 0.90 H new ATOM 0 HG12 VAL A 43 10.411 7.674 -0.675 1.00 0.90 H new ATOM 0 HG13 VAL A 43 11.743 6.824 -1.494 1.00 0.90 H new ATOM 0 HG21 VAL A 43 11.671 4.350 0.293 1.00 0.99 H new ATOM 0 HG22 VAL A 43 13.173 5.200 -0.141 1.00 0.99 H new ATOM 0 HG23 VAL A 43 12.768 4.927 1.570 1.00 0.99 H new ATOM 642 N PRO A 44 12.856 9.151 -0.843 1.00 0.56 N ATOM 643 CA PRO A 44 12.581 10.344 -1.609 1.00 0.54 C ATOM 644 C PRO A 44 11.508 10.124 -2.673 1.00 0.54 C ATOM 645 O PRO A 44 11.366 9.020 -3.200 1.00 0.60 O ATOM 646 CB PRO A 44 13.930 10.637 -2.255 1.00 0.64 C ATOM 647 CG PRO A 44 14.581 9.300 -2.430 1.00 0.67 C ATOM 648 CD PRO A 44 13.903 8.338 -1.481 1.00 0.76 C ATOM 0 HA PRO A 44 12.192 11.155 -0.994 1.00 0.54 H new ATOM 0 HB2 PRO A 44 13.806 11.143 -3.213 1.00 0.64 H new ATOM 0 HB3 PRO A 44 14.535 11.290 -1.625 1.00 0.64 H new ATOM 0 HG2 PRO A 44 14.482 8.957 -3.460 1.00 0.67 H new ATOM 0 HG3 PRO A 44 15.648 9.362 -2.216 1.00 0.67 H new ATOM 0 HD2 PRO A 44 13.479 7.485 -2.011 1.00 0.76 H new ATOM 0 HD3 PRO A 44 14.604 7.941 -0.747 1.00 0.76 H new ATOM 656 N PRO A 45 10.729 11.176 -2.996 1.00 0.56 N ATOM 657 CA PRO A 45 9.669 11.105 -4.013 1.00 0.67 C ATOM 658 C PRO A 45 10.233 10.960 -5.425 1.00 0.77 C ATOM 659 O PRO A 45 9.588 11.334 -6.405 1.00 1.08 O ATOM 660 CB PRO A 45 8.927 12.443 -3.855 1.00 0.72 C ATOM 661 CG PRO A 45 9.385 12.990 -2.543 1.00 0.63 C ATOM 662 CD PRO A 45 10.793 12.512 -2.390 1.00 0.56 C ATOM 0 HA PRO A 45 9.027 10.235 -3.875 1.00 0.67 H new ATOM 0 HB2 PRO A 45 9.166 13.125 -4.671 1.00 0.72 H new ATOM 0 HB3 PRO A 45 7.847 12.298 -3.866 1.00 0.72 H new ATOM 0 HG2 PRO A 45 9.335 14.079 -2.531 1.00 0.63 H new ATOM 0 HG3 PRO A 45 8.757 12.633 -1.727 1.00 0.63 H new ATOM 0 HD2 PRO A 45 11.502 13.160 -2.905 1.00 0.56 H new ATOM 0 HD3 PRO A 45 11.099 12.472 -1.345 1.00 0.56 H new ATOM 670 N GLU A 46 11.440 10.408 -5.518 1.00 0.65 N ATOM 671 CA GLU A 46 12.099 10.201 -6.801 1.00 0.77 C ATOM 672 C GLU A 46 12.668 8.783 -6.903 1.00 0.71 C ATOM 673 O GLU A 46 12.805 8.239 -7.999 1.00 0.81 O ATOM 674 CB GLU A 46 13.219 11.227 -6.987 1.00 0.92 C ATOM 675 CG GLU A 46 13.953 11.099 -8.312 1.00 1.61 C ATOM 676 CD GLU A 46 15.003 12.176 -8.502 1.00 2.17 C ATOM 677 OE1 GLU A 46 16.155 11.967 -8.068 1.00 3.02 O ATOM 678 OE2 GLU A 46 14.672 13.230 -9.085 1.00 2.25 O ATOM 0 H GLU A 46 11.983 10.095 -4.713 1.00 0.65 H new ATOM 0 HA GLU A 46 11.357 10.330 -7.589 1.00 0.77 H new ATOM 0 HB2 GLU A 46 12.797 12.229 -6.911 1.00 0.92 H new ATOM 0 HB3 GLU A 46 13.936 11.120 -6.173 1.00 0.92 H new ATOM 0 HG2 GLU A 46 14.428 10.120 -8.367 1.00 1.61 H new ATOM 0 HG3 GLU A 46 13.233 11.150 -9.129 1.00 1.61 H new ATOM 685 N GLU A 47 12.993 8.191 -5.755 1.00 0.63 N ATOM 686 CA GLU A 47 13.550 6.841 -5.719 1.00 0.66 C ATOM 687 C GLU A 47 12.641 5.880 -4.954 1.00 0.55 C ATOM 688 O GLU A 47 13.092 4.847 -4.462 1.00 0.59 O ATOM 689 CB GLU A 47 14.935 6.862 -5.071 1.00 0.81 C ATOM 690 CG GLU A 47 15.974 7.615 -5.883 1.00 1.25 C ATOM 691 CD GLU A 47 17.324 7.671 -5.194 1.00 1.42 C ATOM 692 OE1 GLU A 47 18.133 6.740 -5.397 1.00 1.62 O ATOM 693 OE2 GLU A 47 17.572 8.645 -4.453 1.00 1.58 O ATOM 0 H GLU A 47 12.880 8.625 -4.839 1.00 0.63 H new ATOM 0 HA GLU A 47 13.631 6.488 -6.747 1.00 0.66 H new ATOM 0 HB2 GLU A 47 14.858 7.317 -4.083 1.00 0.81 H new ATOM 0 HB3 GLU A 47 15.274 5.837 -4.924 1.00 0.81 H new ATOM 0 HG2 GLU A 47 16.086 7.136 -6.856 1.00 1.25 H new ATOM 0 HG3 GLU A 47 15.621 8.630 -6.066 1.00 1.25 H new ATOM 700 N PHE A 48 11.366 6.229 -4.849 1.00 0.48 N ATOM 701 CA PHE A 48 10.401 5.390 -4.146 1.00 0.45 C ATOM 702 C PHE A 48 9.948 4.216 -5.009 1.00 0.41 C ATOM 703 O PHE A 48 9.610 3.149 -4.494 1.00 0.45 O ATOM 704 CB PHE A 48 9.186 6.220 -3.734 1.00 0.54 C ATOM 705 CG PHE A 48 8.428 6.791 -4.900 1.00 1.39 C ATOM 706 CD1 PHE A 48 8.810 7.996 -5.466 1.00 2.39 C ATOM 707 CD2 PHE A 48 7.336 6.123 -5.429 1.00 1.41 C ATOM 708 CE1 PHE A 48 8.117 8.524 -6.539 1.00 3.37 C ATOM 709 CE2 PHE A 48 6.638 6.646 -6.502 1.00 2.36 C ATOM 710 CZ PHE A 48 7.030 7.849 -7.058 1.00 3.35 C ATOM 0 H PHE A 48 10.975 7.086 -5.241 1.00 0.48 H new ATOM 0 HA PHE A 48 10.893 4.992 -3.258 1.00 0.45 H new ATOM 0 HB2 PHE A 48 8.514 5.598 -3.143 1.00 0.54 H new ATOM 0 HB3 PHE A 48 9.514 7.035 -3.089 1.00 0.54 H new ATOM 0 HD1 PHE A 48 9.659 8.529 -5.064 1.00 2.39 H new ATOM 0 HD2 PHE A 48 7.026 5.182 -4.998 1.00 1.41 H new ATOM 0 HE1 PHE A 48 8.426 9.464 -6.971 1.00 3.37 H new ATOM 0 HE2 PHE A 48 5.788 6.115 -6.905 1.00 2.36 H new ATOM 0 HZ PHE A 48 6.487 8.260 -7.896 1.00 3.35 H new ATOM 720 N ARG A 49 9.942 4.422 -6.321 1.00 0.43 N ATOM 721 CA ARG A 49 9.499 3.394 -7.258 1.00 0.47 C ATOM 722 C ARG A 49 10.281 2.083 -7.112 1.00 0.49 C ATOM 723 O ARG A 49 9.671 1.021 -6.985 1.00 0.52 O ATOM 724 CB ARG A 49 9.596 3.900 -8.697 1.00 0.58 C ATOM 725 CG ARG A 49 8.633 3.201 -9.640 1.00 1.06 C ATOM 726 CD ARG A 49 7.192 3.588 -9.348 1.00 1.14 C ATOM 727 NE ARG A 49 6.244 2.789 -10.122 1.00 1.80 N ATOM 728 CZ ARG A 49 4.974 3.130 -10.314 1.00 2.30 C ATOM 729 NH1 ARG A 49 4.495 4.245 -9.779 1.00 2.42 N ATOM 730 NH2 ARG A 49 4.180 2.353 -11.039 1.00 3.07 N ATOM 0 H ARG A 49 10.239 5.293 -6.761 1.00 0.43 H new ATOM 0 HA ARG A 49 8.458 3.180 -7.015 1.00 0.47 H new ATOM 0 HB2 ARG A 49 9.398 4.972 -8.713 1.00 0.58 H new ATOM 0 HB3 ARG A 49 10.615 3.759 -9.058 1.00 0.58 H new ATOM 0 HG2 ARG A 49 8.879 3.458 -10.670 1.00 1.06 H new ATOM 0 HG3 ARG A 49 8.748 2.121 -9.545 1.00 1.06 H new ATOM 0 HD2 ARG A 49 6.991 3.460 -8.284 1.00 1.14 H new ATOM 0 HD3 ARG A 49 7.047 4.644 -9.575 1.00 1.14 H new ATOM 0 HE ARG A 49 6.576 1.919 -10.539 1.00 1.80 H new ATOM 0 HH11 ARG A 49 5.102 4.843 -9.218 1.00 2.42 H new ATOM 0 HH12 ARG A 49 3.520 4.504 -9.928 1.00 2.42 H new ATOM 0 HH21 ARG A 49 4.544 1.493 -11.449 1.00 3.07 H new ATOM 0 HH22 ARG A 49 3.205 2.615 -11.186 1.00 3.07 H new ATOM 744 N PRO A 50 11.634 2.120 -7.138 1.00 0.52 N ATOM 745 CA PRO A 50 12.447 0.906 -7.011 1.00 0.59 C ATOM 746 C PRO A 50 12.010 0.045 -5.838 1.00 0.58 C ATOM 747 O PRO A 50 12.070 -1.183 -5.903 1.00 0.68 O ATOM 748 CB PRO A 50 13.878 1.424 -6.806 1.00 0.63 C ATOM 749 CG PRO A 50 13.757 2.901 -6.619 1.00 0.58 C ATOM 750 CD PRO A 50 12.477 3.313 -7.286 1.00 0.54 C ATOM 0 HA PRO A 50 12.351 0.265 -7.888 1.00 0.59 H new ATOM 0 HB2 PRO A 50 14.341 0.957 -5.937 1.00 0.63 H new ATOM 0 HB3 PRO A 50 14.505 1.189 -7.666 1.00 0.63 H new ATOM 0 HG2 PRO A 50 13.742 3.158 -5.560 1.00 0.58 H new ATOM 0 HG3 PRO A 50 14.608 3.419 -7.061 1.00 0.58 H new ATOM 0 HD2 PRO A 50 12.033 4.184 -6.805 1.00 0.54 H new ATOM 0 HD3 PRO A 50 12.632 3.571 -8.334 1.00 0.54 H new ATOM 758 N PHE A 51 11.573 0.689 -4.762 1.00 0.49 N ATOM 759 CA PHE A 51 11.110 -0.040 -3.594 1.00 0.51 C ATOM 760 C PHE A 51 9.719 -0.596 -3.854 1.00 0.45 C ATOM 761 O PHE A 51 9.412 -1.725 -3.477 1.00 0.52 O ATOM 762 CB PHE A 51 11.098 0.858 -2.357 1.00 0.60 C ATOM 763 CG PHE A 51 11.554 0.148 -1.116 1.00 0.99 C ATOM 764 CD1 PHE A 51 10.692 -0.694 -0.433 1.00 1.29 C ATOM 765 CD2 PHE A 51 12.838 0.332 -0.626 1.00 1.44 C ATOM 766 CE1 PHE A 51 11.102 -1.341 0.717 1.00 1.88 C ATOM 767 CE2 PHE A 51 13.253 -0.314 0.522 1.00 2.02 C ATOM 768 CZ PHE A 51 12.412 -1.179 1.169 1.00 2.20 C ATOM 0 H PHE A 51 11.531 1.705 -4.677 1.00 0.49 H new ATOM 0 HA PHE A 51 11.798 -0.864 -3.405 1.00 0.51 H new ATOM 0 HB2 PHE A 51 11.741 1.720 -2.534 1.00 0.60 H new ATOM 0 HB3 PHE A 51 10.089 1.240 -2.201 1.00 0.60 H new ATOM 0 HD1 PHE A 51 9.689 -0.846 -0.803 1.00 1.29 H new ATOM 0 HD2 PHE A 51 13.520 0.987 -1.147 1.00 1.44 H new ATOM 0 HE1 PHE A 51 10.413 -1.968 1.263 1.00 1.88 H new ATOM 0 HE2 PHE A 51 14.245 -0.136 0.911 1.00 2.02 H new ATOM 0 HZ PHE A 51 12.762 -1.734 2.027 1.00 2.20 H new ATOM 778 N LEU A 52 8.880 0.204 -4.511 1.00 0.40 N ATOM 779 CA LEU A 52 7.526 -0.217 -4.834 1.00 0.43 C ATOM 780 C LEU A 52 7.551 -1.381 -5.814 1.00 0.44 C ATOM 781 O LEU A 52 6.531 -2.014 -6.053 1.00 0.50 O ATOM 782 CB LEU A 52 6.715 0.941 -5.427 1.00 0.55 C ATOM 783 CG LEU A 52 6.205 1.978 -4.424 1.00 0.56 C ATOM 784 CD1 LEU A 52 5.317 2.996 -5.123 1.00 1.33 C ATOM 785 CD2 LEU A 52 5.446 1.304 -3.293 1.00 1.15 C ATOM 0 H LEU A 52 9.117 1.144 -4.827 1.00 0.40 H new ATOM 0 HA LEU A 52 7.047 -0.537 -3.909 1.00 0.43 H new ATOM 0 HB2 LEU A 52 7.332 1.451 -6.166 1.00 0.55 H new ATOM 0 HB3 LEU A 52 5.859 0.526 -5.959 1.00 0.55 H new ATOM 0 HG LEU A 52 7.065 2.496 -3.999 1.00 0.56 H new ATOM 0 HD11 LEU A 52 4.961 3.728 -4.397 1.00 1.33 H new ATOM 0 HD12 LEU A 52 5.888 3.504 -5.900 1.00 1.33 H new ATOM 0 HD13 LEU A 52 4.464 2.487 -5.573 1.00 1.33 H new ATOM 0 HD21 LEU A 52 5.092 2.059 -2.591 1.00 1.15 H new ATOM 0 HD22 LEU A 52 4.594 0.760 -3.700 1.00 1.15 H new ATOM 0 HD23 LEU A 52 6.107 0.609 -2.775 1.00 1.15 H new ATOM 797 N ALA A 53 8.719 -1.664 -6.384 1.00 0.48 N ATOM 798 CA ALA A 53 8.847 -2.771 -7.324 1.00 0.59 C ATOM 799 C ALA A 53 8.259 -4.040 -6.719 1.00 0.60 C ATOM 800 O ALA A 53 7.864 -4.963 -7.431 1.00 0.76 O ATOM 801 CB ALA A 53 10.304 -2.984 -7.705 1.00 0.67 C ATOM 0 H ALA A 53 9.582 -1.147 -6.213 1.00 0.48 H new ATOM 0 HA ALA A 53 8.293 -2.527 -8.230 1.00 0.59 H new ATOM 0 HB1 ALA A 53 10.379 -3.814 -8.407 1.00 0.67 H new ATOM 0 HB2 ALA A 53 10.694 -2.079 -8.170 1.00 0.67 H new ATOM 0 HB3 ALA A 53 10.884 -3.212 -6.811 1.00 0.67 H new ATOM 807 N LYS A 54 8.212 -4.065 -5.391 1.00 0.51 N ATOM 808 CA LYS A 54 7.663 -5.195 -4.654 1.00 0.55 C ATOM 809 C LYS A 54 6.393 -4.784 -3.908 1.00 0.48 C ATOM 810 O LYS A 54 5.675 -5.626 -3.371 1.00 0.57 O ATOM 811 CB LYS A 54 8.698 -5.731 -3.663 1.00 0.62 C ATOM 812 CG LYS A 54 9.947 -6.286 -4.329 1.00 0.76 C ATOM 813 CD LYS A 54 10.936 -6.826 -3.306 1.00 0.94 C ATOM 814 CE LYS A 54 11.542 -5.711 -2.467 1.00 1.21 C ATOM 815 NZ LYS A 54 12.482 -6.240 -1.441 1.00 1.84 N ATOM 0 H LYS A 54 8.552 -3.307 -4.799 1.00 0.51 H new ATOM 0 HA LYS A 54 7.411 -5.981 -5.366 1.00 0.55 H new ATOM 0 HB2 LYS A 54 8.985 -4.930 -2.981 1.00 0.62 H new ATOM 0 HB3 LYS A 54 8.239 -6.514 -3.059 1.00 0.62 H new ATOM 0 HG2 LYS A 54 9.668 -7.081 -5.021 1.00 0.76 H new ATOM 0 HG3 LYS A 54 10.424 -5.503 -4.919 1.00 0.76 H new ATOM 0 HD2 LYS A 54 10.432 -7.539 -2.654 1.00 0.94 H new ATOM 0 HD3 LYS A 54 11.730 -7.369 -3.819 1.00 0.94 H new ATOM 0 HE2 LYS A 54 12.069 -5.012 -3.117 1.00 1.21 H new ATOM 0 HE3 LYS A 54 10.746 -5.151 -1.976 1.00 1.21 H new ATOM 0 HZ1 LYS A 54 12.874 -5.450 -0.890 1.00 1.84 H new ATOM 0 HZ2 LYS A 54 11.974 -6.887 -0.805 1.00 1.84 H new ATOM 0 HZ3 LYS A 54 13.256 -6.752 -1.910 1.00 1.84 H new ATOM 829 N MET A 55 6.127 -3.478 -3.885 1.00 0.38 N ATOM 830 CA MET A 55 4.952 -2.935 -3.206 1.00 0.34 C ATOM 831 C MET A 55 4.071 -2.138 -4.171 1.00 0.33 C ATOM 832 O MET A 55 3.299 -1.277 -3.749 1.00 0.35 O ATOM 833 CB MET A 55 5.391 -2.032 -2.050 1.00 0.33 C ATOM 834 CG MET A 55 6.174 -2.756 -0.961 1.00 0.42 C ATOM 835 SD MET A 55 7.879 -3.097 -1.435 1.00 1.95 S ATOM 836 CE MET A 55 8.466 -3.968 0.015 1.00 2.78 C ATOM 0 H MET A 55 6.714 -2.773 -4.332 1.00 0.38 H new ATOM 0 HA MET A 55 4.369 -3.772 -2.821 1.00 0.34 H new ATOM 0 HB2 MET A 55 6.004 -1.223 -2.447 1.00 0.33 H new ATOM 0 HB3 MET A 55 4.508 -1.574 -1.605 1.00 0.33 H new ATOM 0 HG2 MET A 55 6.168 -2.152 -0.053 1.00 0.42 H new ATOM 0 HG3 MET A 55 5.673 -3.695 -0.723 1.00 0.42 H new ATOM 0 HE1 MET A 55 9.536 -4.153 -0.080 1.00 2.78 H new ATOM 0 HE2 MET A 55 8.279 -3.364 0.903 1.00 2.78 H new ATOM 0 HE3 MET A 55 7.940 -4.919 0.106 1.00 2.78 H new ATOM 846 N ARG A 56 4.184 -2.431 -5.466 1.00 0.37 N ATOM 847 CA ARG A 56 3.399 -1.732 -6.483 1.00 0.42 C ATOM 848 C ARG A 56 2.259 -2.603 -6.989 1.00 0.41 C ATOM 849 O ARG A 56 1.240 -2.092 -7.453 1.00 0.43 O ATOM 850 CB ARG A 56 4.283 -1.312 -7.657 1.00 0.54 C ATOM 851 CG ARG A 56 4.821 -2.482 -8.460 1.00 1.09 C ATOM 852 CD ARG A 56 5.945 -2.042 -9.378 1.00 1.35 C ATOM 853 NE ARG A 56 5.472 -1.174 -10.453 1.00 1.81 N ATOM 854 CZ ARG A 56 6.137 -0.974 -11.587 1.00 2.37 C ATOM 855 NH1 ARG A 56 7.297 -1.584 -11.796 1.00 2.58 N ATOM 856 NH2 ARG A 56 5.643 -0.166 -12.516 1.00 3.05 N ATOM 0 H ARG A 56 4.810 -3.146 -5.835 1.00 0.37 H new ATOM 0 HA ARG A 56 2.979 -0.841 -6.017 1.00 0.42 H new ATOM 0 HB2 ARG A 56 3.710 -0.661 -8.318 1.00 0.54 H new ATOM 0 HB3 ARG A 56 5.120 -0.726 -7.279 1.00 0.54 H new ATOM 0 HG2 ARG A 56 5.182 -3.256 -7.783 1.00 1.09 H new ATOM 0 HG3 ARG A 56 4.017 -2.923 -9.049 1.00 1.09 H new ATOM 0 HD2 ARG A 56 6.702 -1.517 -8.796 1.00 1.35 H new ATOM 0 HD3 ARG A 56 6.426 -2.921 -9.808 1.00 1.35 H new ATOM 0 HE ARG A 56 4.581 -0.694 -10.327 1.00 1.81 H new ATOM 0 HH11 ARG A 56 7.680 -2.208 -11.086 1.00 2.58 H new ATOM 0 HH12 ARG A 56 7.805 -1.429 -12.667 1.00 2.58 H new ATOM 0 HH21 ARG A 56 4.751 0.304 -12.361 1.00 3.05 H new ATOM 0 HH22 ARG A 56 6.155 -0.014 -13.385 1.00 3.05 H new ATOM 870 N GLY A 57 2.444 -3.919 -6.918 1.00 0.43 N ATOM 871 CA GLY A 57 1.405 -4.827 -7.359 1.00 0.45 C ATOM 872 C GLY A 57 0.081 -4.489 -6.715 1.00 0.39 C ATOM 873 O GLY A 57 -0.985 -4.726 -7.282 1.00 0.48 O ATOM 0 H GLY A 57 3.289 -4.368 -6.565 1.00 0.43 H new ATOM 0 HA2 GLY A 57 1.309 -4.776 -8.444 1.00 0.45 H new ATOM 0 HA3 GLY A 57 1.683 -5.851 -7.111 1.00 0.45 H new ATOM 877 N ILE A 58 0.167 -3.907 -5.525 1.00 0.41 N ATOM 878 CA ILE A 58 -1.009 -3.508 -4.771 1.00 0.39 C ATOM 879 C ILE A 58 -1.515 -2.152 -5.253 1.00 0.40 C ATOM 880 O ILE A 58 -2.714 -1.878 -5.220 1.00 0.47 O ATOM 881 CB ILE A 58 -0.699 -3.436 -3.269 1.00 0.42 C ATOM 882 CG1 ILE A 58 0.142 -4.643 -2.851 1.00 0.53 C ATOM 883 CG2 ILE A 58 -1.987 -3.379 -2.465 1.00 0.43 C ATOM 884 CD1 ILE A 58 1.621 -4.340 -2.718 1.00 0.71 C ATOM 0 H ILE A 58 1.051 -3.700 -5.060 1.00 0.41 H new ATOM 0 HA ILE A 58 -1.782 -4.259 -4.934 1.00 0.39 H new ATOM 0 HB ILE A 58 -0.131 -2.528 -3.069 1.00 0.42 H new ATOM 0 HG12 ILE A 58 -0.229 -5.021 -1.898 1.00 0.53 H new ATOM 0 HG13 ILE A 58 0.008 -5.439 -3.583 1.00 0.53 H new ATOM 0 HG21 ILE A 58 -1.751 -3.328 -1.402 1.00 0.43 H new ATOM 0 HG22 ILE A 58 -2.557 -2.495 -2.753 1.00 0.43 H new ATOM 0 HG23 ILE A 58 -2.579 -4.273 -2.663 1.00 0.43 H new ATOM 0 HD11 ILE A 58 2.152 -5.244 -2.419 1.00 0.71 H new ATOM 0 HD12 ILE A 58 2.009 -3.991 -3.675 1.00 0.71 H new ATOM 0 HD13 ILE A 58 1.768 -3.567 -1.964 1.00 0.71 H new ATOM 896 N LEU A 59 -0.585 -1.306 -5.693 1.00 0.44 N ATOM 897 CA LEU A 59 -0.926 0.017 -6.208 1.00 0.49 C ATOM 898 C LEU A 59 -1.845 -0.120 -7.415 1.00 0.52 C ATOM 899 O LEU A 59 -2.872 0.549 -7.512 1.00 0.56 O ATOM 900 CB LEU A 59 0.356 0.778 -6.587 1.00 0.58 C ATOM 901 CG LEU A 59 0.158 2.141 -7.269 1.00 0.88 C ATOM 902 CD1 LEU A 59 1.380 3.024 -7.054 1.00 1.39 C ATOM 903 CD2 LEU A 59 -0.101 1.971 -8.759 1.00 1.71 C ATOM 0 H LEU A 59 0.413 -1.515 -5.703 1.00 0.44 H new ATOM 0 HA LEU A 59 -1.448 0.582 -5.435 1.00 0.49 H new ATOM 0 HB2 LEU A 59 0.945 0.930 -5.682 1.00 0.58 H new ATOM 0 HB3 LEU A 59 0.947 0.146 -7.250 1.00 0.58 H new ATOM 0 HG LEU A 59 -0.712 2.619 -6.819 1.00 0.88 H new ATOM 0 HD11 LEU A 59 1.225 3.986 -7.543 1.00 1.39 H new ATOM 0 HD12 LEU A 59 1.533 3.180 -5.986 1.00 1.39 H new ATOM 0 HD13 LEU A 59 2.259 2.539 -7.479 1.00 1.39 H new ATOM 0 HD21 LEU A 59 -0.238 2.950 -9.219 1.00 1.71 H new ATOM 0 HD22 LEU A 59 0.749 1.469 -9.221 1.00 1.71 H new ATOM 0 HD23 LEU A 59 -1.000 1.372 -8.906 1.00 1.71 H new ATOM 915 N LYS A 60 -1.457 -0.997 -8.335 1.00 0.59 N ATOM 916 CA LYS A 60 -2.233 -1.249 -9.542 1.00 0.68 C ATOM 917 C LYS A 60 -3.515 -2.008 -9.207 1.00 0.65 C ATOM 918 O LYS A 60 -4.459 -2.039 -9.996 1.00 0.74 O ATOM 919 CB LYS A 60 -1.375 -2.033 -10.548 1.00 0.80 C ATOM 920 CG LYS A 60 -2.168 -2.832 -11.573 1.00 0.92 C ATOM 921 CD LYS A 60 -2.400 -4.261 -11.101 1.00 1.07 C ATOM 922 CE LYS A 60 -3.289 -5.032 -12.063 1.00 1.10 C ATOM 923 NZ LYS A 60 -2.699 -5.110 -13.428 1.00 1.60 N ATOM 0 H LYS A 60 -0.602 -1.549 -8.265 1.00 0.59 H new ATOM 0 HA LYS A 60 -2.520 -0.298 -9.991 1.00 0.68 H new ATOM 0 HB2 LYS A 60 -0.727 -1.333 -11.075 1.00 0.80 H new ATOM 0 HB3 LYS A 60 -0.727 -2.715 -9.998 1.00 0.80 H new ATOM 0 HG2 LYS A 60 -3.127 -2.346 -11.753 1.00 0.92 H new ATOM 0 HG3 LYS A 60 -1.633 -2.843 -12.522 1.00 0.92 H new ATOM 0 HD2 LYS A 60 -1.442 -4.772 -11.001 1.00 1.07 H new ATOM 0 HD3 LYS A 60 -2.859 -4.248 -10.112 1.00 1.07 H new ATOM 0 HE2 LYS A 60 -3.450 -6.040 -11.680 1.00 1.10 H new ATOM 0 HE3 LYS A 60 -4.266 -4.552 -12.117 1.00 1.10 H new ATOM 0 HZ1 LYS A 60 -3.256 -5.768 -14.010 1.00 1.60 H new ATOM 0 HZ2 LYS A 60 -2.710 -4.166 -13.865 1.00 1.60 H new ATOM 0 HZ3 LYS A 60 -1.718 -5.450 -13.363 1.00 1.60 H new ATOM 937 N SER A 61 -3.544 -2.614 -8.026 1.00 0.55 N ATOM 938 CA SER A 61 -4.704 -3.379 -7.587 1.00 0.55 C ATOM 939 C SER A 61 -5.796 -2.471 -7.020 1.00 0.57 C ATOM 940 O SER A 61 -6.969 -2.607 -7.364 1.00 0.71 O ATOM 941 CB SER A 61 -4.285 -4.402 -6.531 1.00 0.51 C ATOM 942 OG SER A 61 -5.303 -5.361 -6.317 1.00 1.20 O ATOM 0 H SER A 61 -2.776 -2.590 -7.355 1.00 0.55 H new ATOM 0 HA SER A 61 -5.111 -3.894 -8.457 1.00 0.55 H new ATOM 0 HB2 SER A 61 -3.370 -4.903 -6.849 1.00 0.51 H new ATOM 0 HB3 SER A 61 -4.060 -3.891 -5.595 1.00 0.51 H new ATOM 0 HG SER A 61 -5.009 -6.004 -5.639 1.00 1.20 H new ATOM 948 N ILE A 62 -5.401 -1.555 -6.144 1.00 0.50 N ATOM 949 CA ILE A 62 -6.346 -0.638 -5.514 1.00 0.56 C ATOM 950 C ILE A 62 -6.640 0.586 -6.384 1.00 0.64 C ATOM 951 O ILE A 62 -7.785 1.026 -6.479 1.00 0.70 O ATOM 952 CB ILE A 62 -5.827 -0.164 -4.141 1.00 0.55 C ATOM 953 CG1 ILE A 62 -5.601 -1.363 -3.216 1.00 0.54 C ATOM 954 CG2 ILE A 62 -6.805 0.823 -3.514 1.00 0.65 C ATOM 955 CD1 ILE A 62 -4.955 -1.001 -1.896 1.00 0.79 C ATOM 0 H ILE A 62 -4.432 -1.427 -5.853 1.00 0.50 H new ATOM 0 HA ILE A 62 -7.272 -1.198 -5.385 1.00 0.56 H new ATOM 0 HB ILE A 62 -4.874 0.344 -4.285 1.00 0.55 H new ATOM 0 HG12 ILE A 62 -6.559 -1.846 -3.021 1.00 0.54 H new ATOM 0 HG13 ILE A 62 -4.975 -2.093 -3.729 1.00 0.54 H new ATOM 0 HG21 ILE A 62 -6.424 1.148 -2.546 1.00 0.65 H new ATOM 0 HG22 ILE A 62 -6.919 1.688 -4.168 1.00 0.65 H new ATOM 0 HG23 ILE A 62 -7.773 0.340 -3.380 1.00 0.65 H new ATOM 0 HD11 ILE A 62 -4.827 -1.901 -1.295 1.00 0.79 H new ATOM 0 HD12 ILE A 62 -3.982 -0.546 -2.080 1.00 0.79 H new ATOM 0 HD13 ILE A 62 -5.590 -0.295 -1.361 1.00 0.79 H new ATOM 967 N ALA A 63 -5.604 1.140 -7.005 1.00 0.68 N ATOM 968 CA ALA A 63 -5.760 2.331 -7.838 1.00 0.79 C ATOM 969 C ALA A 63 -6.206 2.007 -9.263 1.00 0.84 C ATOM 970 O ALA A 63 -7.287 2.413 -9.690 1.00 0.90 O ATOM 971 CB ALA A 63 -4.459 3.119 -7.865 1.00 0.88 C ATOM 0 H ALA A 63 -4.649 0.786 -6.949 1.00 0.68 H new ATOM 0 HA ALA A 63 -6.551 2.932 -7.389 1.00 0.79 H new ATOM 0 HB1 ALA A 63 -4.583 4.005 -8.488 1.00 0.88 H new ATOM 0 HB2 ALA A 63 -4.196 3.422 -6.851 1.00 0.88 H new ATOM 0 HB3 ALA A 63 -3.664 2.496 -8.275 1.00 0.88 H new ATOM 977 N SER A 64 -5.373 1.272 -9.993 1.00 0.88 N ATOM 978 CA SER A 64 -5.668 0.928 -11.383 1.00 1.00 C ATOM 979 C SER A 64 -6.849 -0.033 -11.513 1.00 0.96 C ATOM 980 O SER A 64 -7.717 0.157 -12.365 1.00 1.11 O ATOM 981 CB SER A 64 -4.430 0.322 -12.048 1.00 1.13 C ATOM 982 OG SER A 64 -4.692 -0.020 -13.399 1.00 1.56 O ATOM 0 H SER A 64 -4.488 0.902 -9.647 1.00 0.88 H new ATOM 0 HA SER A 64 -5.947 1.853 -11.888 1.00 1.00 H new ATOM 0 HB2 SER A 64 -3.605 1.033 -12.003 1.00 1.13 H new ATOM 0 HB3 SER A 64 -4.116 -0.566 -11.499 1.00 1.13 H new ATOM 0 HG SER A 64 -3.885 -0.404 -13.802 1.00 1.56 H new ATOM 988 N ALA A 65 -6.883 -1.060 -10.672 1.00 0.84 N ATOM 989 CA ALA A 65 -7.956 -2.048 -10.729 1.00 0.84 C ATOM 990 C ALA A 65 -9.140 -1.650 -9.855 1.00 0.75 C ATOM 991 O ALA A 65 -10.294 -1.855 -10.235 1.00 0.82 O ATOM 992 CB ALA A 65 -7.432 -3.417 -10.317 1.00 0.83 C ATOM 0 H ALA A 65 -6.186 -1.231 -9.947 1.00 0.84 H new ATOM 0 HA ALA A 65 -8.309 -2.093 -11.759 1.00 0.84 H new ATOM 0 HB1 ALA A 65 -8.241 -4.145 -10.363 1.00 0.83 H new ATOM 0 HB2 ALA A 65 -6.633 -3.719 -10.993 1.00 0.83 H new ATOM 0 HB3 ALA A 65 -7.046 -3.368 -9.299 1.00 0.83 H new ATOM 998 N ASP A 66 -8.852 -1.076 -8.690 1.00 0.65 N ATOM 999 CA ASP A 66 -9.900 -0.659 -7.763 1.00 0.65 C ATOM 1000 C ASP A 66 -10.837 -1.820 -7.446 1.00 0.66 C ATOM 1001 O ASP A 66 -11.854 -2.013 -8.113 1.00 1.01 O ATOM 1002 CB ASP A 66 -10.695 0.514 -8.340 1.00 0.75 C ATOM 1003 CG ASP A 66 -11.768 1.009 -7.389 1.00 1.05 C ATOM 1004 OD1 ASP A 66 -11.453 1.859 -6.531 1.00 1.08 O ATOM 1005 OD2 ASP A 66 -12.922 0.547 -7.505 1.00 1.53 O ATOM 0 H ASP A 66 -7.903 -0.889 -8.366 1.00 0.65 H new ATOM 0 HA ASP A 66 -9.421 -0.337 -6.838 1.00 0.65 H new ATOM 0 HB2 ASP A 66 -10.013 1.332 -8.572 1.00 0.75 H new ATOM 0 HB3 ASP A 66 -11.158 0.209 -9.279 1.00 0.75 H new ATOM 1010 N MET A 67 -10.482 -2.595 -6.428 1.00 0.55 N ATOM 1011 CA MET A 67 -11.284 -3.742 -6.025 1.00 0.55 C ATOM 1012 C MET A 67 -12.164 -3.401 -4.827 1.00 0.65 C ATOM 1013 O MET A 67 -12.307 -2.232 -4.465 1.00 0.81 O ATOM 1014 CB MET A 67 -10.373 -4.923 -5.692 1.00 0.49 C ATOM 1015 CG MET A 67 -9.426 -5.304 -6.821 1.00 0.49 C ATOM 1016 SD MET A 67 -10.231 -6.248 -8.131 1.00 1.00 S ATOM 1017 CE MET A 67 -10.899 -4.935 -9.152 1.00 1.52 C ATOM 0 H MET A 67 -9.643 -2.449 -5.867 1.00 0.55 H new ATOM 0 HA MET A 67 -11.935 -4.014 -6.856 1.00 0.55 H new ATOM 0 HB2 MET A 67 -9.788 -4.680 -4.805 1.00 0.49 H new ATOM 0 HB3 MET A 67 -10.989 -5.786 -5.440 1.00 0.49 H new ATOM 0 HG2 MET A 67 -8.994 -4.398 -7.247 1.00 0.49 H new ATOM 0 HG3 MET A 67 -8.601 -5.889 -6.414 1.00 0.49 H new ATOM 0 HE1 MET A 67 -10.840 -5.224 -10.201 1.00 1.52 H new ATOM 0 HE2 MET A 67 -11.940 -4.759 -8.883 1.00 1.52 H new ATOM 0 HE3 MET A 67 -10.324 -4.023 -8.994 1.00 1.52 H new ATOM 1027 N ASP A 68 -12.751 -4.425 -4.214 1.00 0.64 N ATOM 1028 CA ASP A 68 -13.622 -4.224 -3.060 1.00 0.77 C ATOM 1029 C ASP A 68 -12.913 -4.586 -1.756 1.00 0.67 C ATOM 1030 O ASP A 68 -12.256 -3.743 -1.147 1.00 1.22 O ATOM 1031 CB ASP A 68 -14.905 -5.045 -3.209 1.00 1.02 C ATOM 1032 CG ASP A 68 -15.700 -4.659 -4.442 1.00 1.55 C ATOM 1033 OD1 ASP A 68 -15.443 -5.236 -5.520 1.00 1.92 O ATOM 1034 OD2 ASP A 68 -16.581 -3.780 -4.329 1.00 1.91 O ATOM 0 H ASP A 68 -12.640 -5.399 -4.496 1.00 0.64 H new ATOM 0 HA ASP A 68 -13.880 -3.166 -3.020 1.00 0.77 H new ATOM 0 HB2 ASP A 68 -14.651 -6.104 -3.261 1.00 1.02 H new ATOM 0 HB3 ASP A 68 -15.525 -4.909 -2.323 1.00 1.02 H new ATOM 1039 N PHE A 69 -13.046 -5.843 -1.332 1.00 0.74 N ATOM 1040 CA PHE A 69 -12.422 -6.301 -0.092 1.00 0.83 C ATOM 1041 C PHE A 69 -11.887 -7.720 -0.237 1.00 0.99 C ATOM 1042 O PHE A 69 -10.676 -7.938 -0.271 1.00 1.85 O ATOM 1043 CB PHE A 69 -13.430 -6.246 1.059 1.00 1.00 C ATOM 1044 CG PHE A 69 -14.164 -4.939 1.154 1.00 1.45 C ATOM 1045 CD1 PHE A 69 -13.594 -3.855 1.800 1.00 2.08 C ATOM 1046 CD2 PHE A 69 -15.420 -4.795 0.588 1.00 1.82 C ATOM 1047 CE1 PHE A 69 -14.266 -2.650 1.882 1.00 2.91 C ATOM 1048 CE2 PHE A 69 -16.096 -3.594 0.666 1.00 2.52 C ATOM 1049 CZ PHE A 69 -15.519 -2.519 1.314 1.00 3.05 C ATOM 0 H PHE A 69 -13.578 -6.559 -1.827 1.00 0.74 H new ATOM 0 HA PHE A 69 -11.585 -5.637 0.126 1.00 0.83 H new ATOM 0 HB2 PHE A 69 -14.154 -7.051 0.936 1.00 1.00 H new ATOM 0 HB3 PHE A 69 -12.907 -6.428 1.998 1.00 1.00 H new ATOM 0 HD1 PHE A 69 -12.614 -3.952 2.244 1.00 2.08 H new ATOM 0 HD2 PHE A 69 -15.876 -5.632 0.080 1.00 1.82 H new ATOM 0 HE1 PHE A 69 -13.812 -1.812 2.390 1.00 2.91 H new ATOM 0 HE2 PHE A 69 -17.075 -3.495 0.221 1.00 2.52 H new ATOM 0 HZ PHE A 69 -16.046 -1.578 1.377 1.00 3.05 H new ATOM 1059 N ASN A 70 -12.800 -8.683 -0.320 1.00 0.86 N ATOM 1060 CA ASN A 70 -12.421 -10.085 -0.459 1.00 0.89 C ATOM 1061 C ASN A 70 -11.619 -10.307 -1.736 1.00 0.83 C ATOM 1062 O ASN A 70 -10.905 -11.300 -1.869 1.00 1.09 O ATOM 1063 CB ASN A 70 -13.667 -10.972 -0.463 1.00 1.03 C ATOM 1064 CG ASN A 70 -14.463 -10.853 0.822 1.00 1.77 C ATOM 1065 OD1 ASN A 70 -14.220 -11.582 1.785 1.00 2.50 O ATOM 1066 ND2 ASN A 70 -15.421 -9.933 0.845 1.00 2.40 N ATOM 0 H ASN A 70 -13.806 -8.518 -0.293 1.00 0.86 H new ATOM 0 HA ASN A 70 -11.795 -10.354 0.392 1.00 0.89 H new ATOM 0 HB2 ASN A 70 -14.301 -10.700 -1.307 1.00 1.03 H new ATOM 0 HB3 ASN A 70 -13.370 -12.011 -0.609 1.00 1.03 H new ATOM 0 HD21 ASN A 70 -15.989 -9.809 1.683 1.00 2.40 H new ATOM 0 HD22 ASN A 70 -15.588 -9.350 0.025 1.00 2.40 H new ATOM 1073 N GLN A 71 -11.742 -9.370 -2.671 1.00 0.69 N ATOM 1074 CA GLN A 71 -11.028 -9.456 -3.938 1.00 0.68 C ATOM 1075 C GLN A 71 -9.524 -9.316 -3.727 1.00 0.58 C ATOM 1076 O GLN A 71 -8.736 -10.077 -4.288 1.00 0.72 O ATOM 1077 CB GLN A 71 -11.522 -8.369 -4.892 1.00 0.74 C ATOM 1078 CG GLN A 71 -12.993 -8.494 -5.259 1.00 0.88 C ATOM 1079 CD GLN A 71 -13.268 -9.653 -6.199 1.00 1.32 C ATOM 1080 OE1 GLN A 71 -12.558 -10.657 -6.195 1.00 1.79 O ATOM 1081 NE2 GLN A 71 -14.308 -9.517 -7.014 1.00 1.90 N ATOM 0 H GLN A 71 -12.330 -8.542 -2.574 1.00 0.69 H new ATOM 0 HA GLN A 71 -11.224 -10.435 -4.374 1.00 0.68 H new ATOM 0 HB2 GLN A 71 -11.353 -7.394 -4.435 1.00 0.74 H new ATOM 0 HB3 GLN A 71 -10.926 -8.401 -5.804 1.00 0.74 H new ATOM 0 HG2 GLN A 71 -13.580 -8.623 -4.350 1.00 0.88 H new ATOM 0 HG3 GLN A 71 -13.327 -7.567 -5.725 1.00 0.88 H new ATOM 0 HE21 GLN A 71 -14.871 -8.667 -6.985 1.00 1.90 H new ATOM 0 HE22 GLN A 71 -14.543 -10.263 -7.669 1.00 1.90 H new ATOM 1090 N LEU A 72 -9.134 -8.338 -2.913 1.00 0.45 N ATOM 1091 CA LEU A 72 -7.722 -8.099 -2.631 1.00 0.39 C ATOM 1092 C LEU A 72 -7.155 -9.179 -1.716 1.00 0.41 C ATOM 1093 O LEU A 72 -5.974 -9.514 -1.800 1.00 0.41 O ATOM 1094 CB LEU A 72 -7.522 -6.727 -1.981 1.00 0.40 C ATOM 1095 CG LEU A 72 -8.006 -5.527 -2.791 1.00 0.52 C ATOM 1096 CD1 LEU A 72 -7.791 -4.248 -2.000 1.00 1.10 C ATOM 1097 CD2 LEU A 72 -7.286 -5.453 -4.128 1.00 1.06 C ATOM 0 H LEU A 72 -9.774 -7.701 -2.439 1.00 0.45 H new ATOM 0 HA LEU A 72 -7.190 -8.126 -3.582 1.00 0.39 H new ATOM 0 HB2 LEU A 72 -8.037 -6.723 -1.020 1.00 0.40 H new ATOM 0 HB3 LEU A 72 -6.460 -6.596 -1.774 1.00 0.40 H new ATOM 0 HG LEU A 72 -9.071 -5.646 -2.987 1.00 0.52 H new ATOM 0 HD11 LEU A 72 -8.139 -3.396 -2.584 1.00 1.10 H new ATOM 0 HD12 LEU A 72 -8.350 -4.300 -1.066 1.00 1.10 H new ATOM 0 HD13 LEU A 72 -6.730 -4.129 -1.782 1.00 1.10 H new ATOM 0 HD21 LEU A 72 -7.647 -4.590 -4.688 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -6.214 -5.353 -3.959 1.00 1.06 H new ATOM 0 HD23 LEU A 72 -7.481 -6.362 -4.697 1.00 1.06 H new ATOM 1109 N GLU A 73 -8.001 -9.715 -0.839 1.00 0.49 N ATOM 1110 CA GLU A 73 -7.578 -10.754 0.094 1.00 0.57 C ATOM 1111 C GLU A 73 -6.883 -11.898 -0.637 1.00 0.59 C ATOM 1112 O GLU A 73 -5.936 -12.492 -0.120 1.00 0.68 O ATOM 1113 CB GLU A 73 -8.777 -11.290 0.878 1.00 0.67 C ATOM 1114 CG GLU A 73 -8.404 -12.333 1.920 1.00 0.75 C ATOM 1115 CD GLU A 73 -9.614 -12.913 2.625 1.00 1.45 C ATOM 1116 OE1 GLU A 73 -10.083 -12.296 3.604 1.00 1.76 O ATOM 1117 OE2 GLU A 73 -10.092 -13.985 2.200 1.00 2.25 O ATOM 0 H GLU A 73 -8.982 -9.447 -0.756 1.00 0.49 H new ATOM 0 HA GLU A 73 -6.868 -10.308 0.790 1.00 0.57 H new ATOM 0 HB2 GLU A 73 -9.279 -10.458 1.372 1.00 0.67 H new ATOM 0 HB3 GLU A 73 -9.492 -11.725 0.180 1.00 0.67 H new ATOM 0 HG2 GLU A 73 -7.848 -13.138 1.440 1.00 0.75 H new ATOM 0 HG3 GLU A 73 -7.740 -11.883 2.658 1.00 0.75 H new ATOM 1124 N ALA A 74 -7.356 -12.200 -1.840 1.00 0.62 N ATOM 1125 CA ALA A 74 -6.777 -13.272 -2.640 1.00 0.70 C ATOM 1126 C ALA A 74 -5.543 -12.789 -3.392 1.00 0.57 C ATOM 1127 O ALA A 74 -4.681 -13.585 -3.764 1.00 0.60 O ATOM 1128 CB ALA A 74 -7.808 -13.822 -3.612 1.00 0.89 C ATOM 0 H ALA A 74 -8.138 -11.718 -2.283 1.00 0.62 H new ATOM 0 HA ALA A 74 -6.470 -14.070 -1.965 1.00 0.70 H new ATOM 0 HB1 ALA A 74 -7.361 -14.622 -4.203 1.00 0.89 H new ATOM 0 HB2 ALA A 74 -8.660 -14.214 -3.056 1.00 0.89 H new ATOM 0 HB3 ALA A 74 -8.144 -13.025 -4.276 1.00 0.89 H new ATOM 1134 N PHE A 75 -5.463 -11.480 -3.612 1.00 0.49 N ATOM 1135 CA PHE A 75 -4.330 -10.894 -4.317 1.00 0.46 C ATOM 1136 C PHE A 75 -3.077 -10.921 -3.449 1.00 0.38 C ATOM 1137 O PHE A 75 -1.989 -11.246 -3.922 1.00 0.47 O ATOM 1138 CB PHE A 75 -4.644 -9.457 -4.732 1.00 0.55 C ATOM 1139 CG PHE A 75 -3.487 -8.776 -5.402 1.00 0.63 C ATOM 1140 CD1 PHE A 75 -3.224 -8.995 -6.743 1.00 0.76 C ATOM 1141 CD2 PHE A 75 -2.658 -7.928 -4.687 1.00 0.67 C ATOM 1142 CE1 PHE A 75 -2.155 -8.379 -7.363 1.00 0.88 C ATOM 1143 CE2 PHE A 75 -1.585 -7.310 -5.300 1.00 0.82 C ATOM 1144 CZ PHE A 75 -1.334 -7.537 -6.640 1.00 0.91 C ATOM 0 H PHE A 75 -6.168 -10.807 -3.312 1.00 0.49 H new ATOM 0 HA PHE A 75 -4.146 -11.489 -5.211 1.00 0.46 H new ATOM 0 HB2 PHE A 75 -5.499 -9.458 -5.408 1.00 0.55 H new ATOM 0 HB3 PHE A 75 -4.935 -8.885 -3.851 1.00 0.55 H new ATOM 0 HD1 PHE A 75 -3.862 -9.655 -7.311 1.00 0.76 H new ATOM 0 HD2 PHE A 75 -2.852 -7.748 -3.640 1.00 0.67 H new ATOM 0 HE1 PHE A 75 -1.962 -8.555 -8.411 1.00 0.88 H new ATOM 0 HE2 PHE A 75 -0.944 -6.651 -4.733 1.00 0.82 H new ATOM 0 HZ PHE A 75 -0.496 -7.056 -7.121 1.00 0.91 H new ATOM 1154 N LEU A 76 -3.244 -10.570 -2.181 1.00 0.33 N ATOM 1155 CA LEU A 76 -2.137 -10.550 -1.231 1.00 0.36 C ATOM 1156 C LEU A 76 -1.444 -11.913 -1.170 1.00 0.40 C ATOM 1157 O LEU A 76 -0.290 -12.021 -0.758 1.00 0.60 O ATOM 1158 CB LEU A 76 -2.660 -10.154 0.154 1.00 0.43 C ATOM 1159 CG LEU A 76 -1.703 -9.331 1.028 1.00 0.55 C ATOM 1160 CD1 LEU A 76 -0.398 -10.069 1.274 1.00 0.82 C ATOM 1161 CD2 LEU A 76 -1.439 -7.976 0.399 1.00 0.80 C ATOM 0 H LEU A 76 -4.142 -10.293 -1.783 1.00 0.33 H new ATOM 0 HA LEU A 76 -1.402 -9.817 -1.563 1.00 0.36 H new ATOM 0 HB2 LEU A 76 -3.580 -9.585 0.023 1.00 0.43 H new ATOM 0 HB3 LEU A 76 -2.922 -11.064 0.695 1.00 0.43 H new ATOM 0 HG LEU A 76 -2.184 -9.180 1.994 1.00 0.55 H new ATOM 0 HD11 LEU A 76 0.255 -9.457 1.896 1.00 0.82 H new ATOM 0 HD12 LEU A 76 -0.603 -11.012 1.781 1.00 0.82 H new ATOM 0 HD13 LEU A 76 0.092 -10.269 0.321 1.00 0.82 H new ATOM 0 HD21 LEU A 76 -0.759 -7.407 1.033 1.00 0.80 H new ATOM 0 HD22 LEU A 76 -0.990 -8.113 -0.585 1.00 0.80 H new ATOM 0 HD23 LEU A 76 -2.379 -7.433 0.296 1.00 0.80 H new ATOM 1173 N THR A 77 -2.149 -12.952 -1.602 1.00 0.41 N ATOM 1174 CA THR A 77 -1.607 -14.301 -1.583 1.00 0.49 C ATOM 1175 C THR A 77 -0.721 -14.551 -2.795 1.00 0.47 C ATOM 1176 O THR A 77 0.229 -15.324 -2.728 1.00 0.53 O ATOM 1177 CB THR A 77 -2.730 -15.356 -1.555 1.00 0.63 C ATOM 1178 OG1 THR A 77 -3.592 -15.125 -0.434 1.00 0.73 O ATOM 1179 CG2 THR A 77 -2.156 -16.763 -1.473 1.00 0.71 C ATOM 0 H THR A 77 -3.098 -12.884 -1.970 1.00 0.41 H new ATOM 0 HA THR A 77 -1.011 -14.392 -0.675 1.00 0.49 H new ATOM 0 HB THR A 77 -3.300 -15.267 -2.480 1.00 0.63 H new ATOM 0 HG1 THR A 77 -4.304 -15.799 -0.424 1.00 0.73 H new ATOM 0 HG21 THR A 77 -2.970 -17.488 -1.455 1.00 0.71 H new ATOM 0 HG22 THR A 77 -1.524 -16.949 -2.341 1.00 0.71 H new ATOM 0 HG23 THR A 77 -1.562 -16.861 -0.564 1.00 0.71 H new ATOM 1187 N ALA A 78 -1.027 -13.875 -3.895 1.00 0.45 N ATOM 1188 CA ALA A 78 -0.264 -14.035 -5.127 1.00 0.52 C ATOM 1189 C ALA A 78 1.048 -13.269 -5.062 1.00 0.53 C ATOM 1190 O ALA A 78 2.039 -13.659 -5.681 1.00 0.67 O ATOM 1191 CB ALA A 78 -1.090 -13.574 -6.318 1.00 0.60 C ATOM 0 H ALA A 78 -1.798 -13.211 -3.960 1.00 0.45 H new ATOM 0 HA ALA A 78 -0.029 -15.093 -5.248 1.00 0.52 H new ATOM 0 HB1 ALA A 78 -0.510 -13.698 -7.233 1.00 0.60 H new ATOM 0 HB2 ALA A 78 -2.000 -14.170 -6.382 1.00 0.60 H new ATOM 0 HB3 ALA A 78 -1.352 -12.523 -6.194 1.00 0.60 H new ATOM 1197 N GLN A 79 1.050 -12.176 -4.309 1.00 0.47 N ATOM 1198 CA GLN A 79 2.243 -11.353 -4.164 1.00 0.53 C ATOM 1199 C GLN A 79 3.219 -11.980 -3.175 1.00 0.54 C ATOM 1200 O GLN A 79 4.342 -11.503 -3.009 1.00 1.06 O ATOM 1201 CB GLN A 79 1.868 -9.939 -3.723 1.00 0.56 C ATOM 1202 CG GLN A 79 0.997 -9.887 -2.483 1.00 0.96 C ATOM 1203 CD GLN A 79 0.567 -8.474 -2.147 1.00 1.23 C ATOM 1204 OE1 GLN A 79 -0.494 -8.020 -2.571 1.00 2.20 O ATOM 1205 NE2 GLN A 79 1.398 -7.764 -1.396 1.00 0.61 N ATOM 0 H GLN A 79 0.239 -11.840 -3.790 1.00 0.47 H new ATOM 0 HA GLN A 79 2.735 -11.294 -5.135 1.00 0.53 H new ATOM 0 HB2 GLN A 79 2.781 -9.374 -3.536 1.00 0.56 H new ATOM 0 HB3 GLN A 79 1.347 -9.441 -4.541 1.00 0.56 H new ATOM 0 HG2 GLN A 79 0.114 -10.508 -2.635 1.00 0.96 H new ATOM 0 HG3 GLN A 79 1.543 -10.310 -1.639 1.00 0.96 H new ATOM 0 HE21 GLN A 79 2.269 -8.180 -1.065 1.00 0.61 H new ATOM 0 HE22 GLN A 79 1.167 -6.802 -1.149 1.00 0.61 H new ATOM 1214 N THR A 80 2.782 -13.050 -2.522 1.00 0.63 N ATOM 1215 CA THR A 80 3.620 -13.757 -1.562 1.00 0.65 C ATOM 1216 C THR A 80 4.094 -15.079 -2.150 1.00 0.64 C ATOM 1217 O THR A 80 4.838 -15.827 -1.513 1.00 0.73 O ATOM 1218 CB THR A 80 2.870 -14.029 -0.245 1.00 0.77 C ATOM 1219 OG1 THR A 80 1.638 -14.708 -0.512 1.00 1.31 O ATOM 1220 CG2 THR A 80 2.591 -12.730 0.496 1.00 0.44 C ATOM 0 H THR A 80 1.850 -13.448 -2.640 1.00 0.63 H new ATOM 0 HA THR A 80 4.476 -13.118 -1.346 1.00 0.65 H new ATOM 0 HB THR A 80 3.500 -14.659 0.383 1.00 0.77 H new ATOM 0 HG1 THR A 80 1.573 -14.903 -1.470 1.00 1.31 H new ATOM 0 HG21 THR A 80 2.060 -12.947 1.423 1.00 0.44 H new ATOM 0 HG22 THR A 80 3.533 -12.232 0.725 1.00 0.44 H new ATOM 0 HG23 THR A 80 1.979 -12.079 -0.128 1.00 0.44 H new ATOM 1228 N LYS A 81 3.656 -15.356 -3.374 1.00 0.68 N ATOM 1229 CA LYS A 81 4.025 -16.583 -4.070 1.00 0.71 C ATOM 1230 C LYS A 81 4.770 -16.265 -5.363 1.00 0.69 C ATOM 1231 O LYS A 81 5.276 -17.163 -6.038 1.00 0.81 O ATOM 1232 CB LYS A 81 2.773 -17.405 -4.383 1.00 0.76 C ATOM 1233 CG LYS A 81 1.910 -17.688 -3.161 1.00 1.54 C ATOM 1234 CD LYS A 81 0.589 -18.364 -3.524 1.00 1.55 C ATOM 1235 CE LYS A 81 -0.139 -17.652 -4.657 1.00 2.12 C ATOM 1236 NZ LYS A 81 -1.400 -18.351 -5.030 1.00 3.02 N ATOM 0 H LYS A 81 3.041 -14.742 -3.907 1.00 0.68 H new ATOM 0 HA LYS A 81 4.683 -17.162 -3.422 1.00 0.71 H new ATOM 0 HB2 LYS A 81 2.176 -16.874 -5.124 1.00 0.76 H new ATOM 0 HB3 LYS A 81 3.073 -18.351 -4.833 1.00 0.76 H new ATOM 0 HG2 LYS A 81 2.462 -18.324 -2.469 1.00 1.54 H new ATOM 0 HG3 LYS A 81 1.705 -16.753 -2.640 1.00 1.54 H new ATOM 0 HD2 LYS A 81 0.781 -19.397 -3.813 1.00 1.55 H new ATOM 0 HD3 LYS A 81 -0.054 -18.393 -2.645 1.00 1.55 H new ATOM 0 HE2 LYS A 81 -0.366 -16.629 -4.357 1.00 2.12 H new ATOM 0 HE3 LYS A 81 0.514 -17.592 -5.527 1.00 2.12 H new ATOM 0 HZ1 LYS A 81 -1.866 -17.836 -5.804 1.00 3.02 H new ATOM 0 HZ2 LYS A 81 -1.181 -19.319 -5.340 1.00 3.02 H new ATOM 0 HZ3 LYS A 81 -2.034 -18.386 -4.206 1.00 3.02 H new ATOM 1250 N LYS A 82 4.835 -14.979 -5.700 1.00 0.66 N ATOM 1251 CA LYS A 82 5.511 -14.535 -6.916 1.00 0.74 C ATOM 1252 C LYS A 82 7.026 -14.647 -6.778 1.00 0.78 C ATOM 1253 O LYS A 82 7.533 -15.341 -5.895 1.00 0.83 O ATOM 1254 CB LYS A 82 5.131 -13.089 -7.248 1.00 0.72 C ATOM 1255 CG LYS A 82 5.708 -12.064 -6.284 1.00 0.67 C ATOM 1256 CD LYS A 82 5.616 -10.653 -6.847 1.00 0.77 C ATOM 1257 CE LYS A 82 4.196 -10.120 -6.789 1.00 0.76 C ATOM 1258 NZ LYS A 82 4.070 -8.799 -7.465 1.00 1.09 N ATOM 0 H LYS A 82 4.427 -14.225 -5.147 1.00 0.66 H new ATOM 0 HA LYS A 82 5.187 -15.186 -7.728 1.00 0.74 H new ATOM 0 HB2 LYS A 82 5.472 -12.857 -8.257 1.00 0.72 H new ATOM 0 HB3 LYS A 82 4.045 -13.000 -7.250 1.00 0.72 H new ATOM 0 HG2 LYS A 82 5.173 -12.114 -5.336 1.00 0.67 H new ATOM 0 HG3 LYS A 82 6.750 -12.306 -6.075 1.00 0.67 H new ATOM 0 HD2 LYS A 82 6.276 -9.993 -6.285 1.00 0.77 H new ATOM 0 HD3 LYS A 82 5.965 -10.649 -7.880 1.00 0.77 H new ATOM 0 HE2 LYS A 82 3.521 -10.834 -7.260 1.00 0.76 H new ATOM 0 HE3 LYS A 82 3.886 -10.026 -5.748 1.00 0.76 H new ATOM 0 HZ1 LYS A 82 3.085 -8.470 -7.403 1.00 1.09 H new ATOM 0 HZ2 LYS A 82 4.695 -8.110 -7.000 1.00 1.09 H new ATOM 0 HZ3 LYS A 82 4.341 -8.893 -8.465 1.00 1.09 H new ATOM 1272 N GLN A 83 7.742 -13.962 -7.666 1.00 0.87 N ATOM 1273 CA GLN A 83 9.199 -13.973 -7.654 1.00 0.96 C ATOM 1274 C GLN A 83 9.740 -12.657 -7.106 1.00 0.80 C ATOM 1275 O GLN A 83 9.393 -11.582 -7.596 1.00 0.80 O ATOM 1276 CB GLN A 83 9.733 -14.203 -9.065 1.00 1.22 C ATOM 1277 CG GLN A 83 9.020 -15.320 -9.809 1.00 1.37 C ATOM 1278 CD GLN A 83 9.511 -15.475 -11.234 1.00 1.96 C ATOM 1279 OE1 GLN A 83 8.990 -14.847 -12.155 1.00 2.49 O ATOM 1280 NE2 GLN A 83 10.520 -16.317 -11.424 1.00 2.57 N ATOM 0 H GLN A 83 7.333 -13.391 -8.405 1.00 0.87 H new ATOM 0 HA GLN A 83 9.532 -14.785 -7.007 1.00 0.96 H new ATOM 0 HB2 GLN A 83 9.638 -13.279 -9.636 1.00 1.22 H new ATOM 0 HB3 GLN A 83 10.796 -14.436 -9.009 1.00 1.22 H new ATOM 0 HG2 GLN A 83 9.165 -16.259 -9.274 1.00 1.37 H new ATOM 0 HG3 GLN A 83 7.948 -15.120 -9.817 1.00 1.37 H new ATOM 0 HE21 GLN A 83 10.923 -16.818 -10.632 1.00 2.57 H new ATOM 0 HE22 GLN A 83 10.892 -16.463 -12.362 1.00 2.57 H new ATOM 1289 N GLY A 84 10.593 -12.748 -6.092 1.00 0.98 N ATOM 1290 CA GLY A 84 11.166 -11.555 -5.498 1.00 1.14 C ATOM 1291 C GLY A 84 10.110 -10.633 -4.919 1.00 1.22 C ATOM 1292 O GLY A 84 10.354 -9.443 -4.728 1.00 2.05 O ATOM 0 H GLY A 84 10.898 -13.626 -5.671 1.00 0.98 H new ATOM 0 HA2 GLY A 84 11.864 -11.843 -4.712 1.00 1.14 H new ATOM 0 HA3 GLY A 84 11.740 -11.017 -6.252 1.00 1.14 H new ATOM 1296 N GLY A 85 8.930 -11.185 -4.645 1.00 0.69 N ATOM 1297 CA GLY A 85 7.849 -10.398 -4.085 1.00 0.69 C ATOM 1298 C GLY A 85 8.119 -9.994 -2.651 1.00 0.66 C ATOM 1299 O GLY A 85 9.203 -9.510 -2.328 1.00 0.91 O ATOM 0 H GLY A 85 8.705 -12.167 -4.802 1.00 0.69 H new ATOM 0 HA2 GLY A 85 7.701 -9.504 -4.691 1.00 0.69 H new ATOM 0 HA3 GLY A 85 6.923 -10.971 -4.131 1.00 0.69 H new ATOM 1303 N ILE A 86 7.129 -10.195 -1.793 1.00 0.49 N ATOM 1304 CA ILE A 86 7.259 -9.849 -0.385 1.00 0.48 C ATOM 1305 C ILE A 86 7.273 -11.096 0.495 1.00 0.50 C ATOM 1306 O ILE A 86 6.976 -12.198 0.032 1.00 0.53 O ATOM 1307 CB ILE A 86 6.112 -8.921 0.049 1.00 0.45 C ATOM 1308 CG1 ILE A 86 4.778 -9.674 0.023 1.00 0.43 C ATOM 1309 CG2 ILE A 86 6.063 -7.711 -0.874 1.00 0.50 C ATOM 1310 CD1 ILE A 86 3.613 -8.871 0.560 1.00 0.45 C ATOM 0 H ILE A 86 6.226 -10.596 -2.048 1.00 0.49 H new ATOM 0 HA ILE A 86 8.209 -9.330 -0.260 1.00 0.48 H new ATOM 0 HB ILE A 86 6.289 -8.582 1.070 1.00 0.45 H new ATOM 0 HG12 ILE A 86 4.560 -9.972 -1.002 1.00 0.43 H new ATOM 0 HG13 ILE A 86 4.876 -10.589 0.607 1.00 0.43 H new ATOM 0 HG21 ILE A 86 5.250 -7.052 -0.568 1.00 0.50 H new ATOM 0 HG22 ILE A 86 7.008 -7.172 -0.817 1.00 0.50 H new ATOM 0 HG23 ILE A 86 5.895 -8.042 -1.899 1.00 0.50 H new ATOM 0 HD11 ILE A 86 2.704 -9.470 0.509 1.00 0.45 H new ATOM 0 HD12 ILE A 86 3.808 -8.595 1.596 1.00 0.45 H new ATOM 0 HD13 ILE A 86 3.487 -7.969 -0.038 1.00 0.45 H new ATOM 1322 N THR A 87 7.621 -10.914 1.766 1.00 0.52 N ATOM 1323 CA THR A 87 7.679 -12.023 2.713 1.00 0.57 C ATOM 1324 C THR A 87 6.370 -12.162 3.484 1.00 0.51 C ATOM 1325 O THR A 87 5.430 -11.395 3.276 1.00 0.48 O ATOM 1326 CB THR A 87 8.831 -11.842 3.718 1.00 0.64 C ATOM 1327 OG1 THR A 87 8.708 -10.578 4.382 1.00 1.18 O ATOM 1328 CG2 THR A 87 10.179 -11.924 3.019 1.00 1.27 C ATOM 0 H THR A 87 7.867 -10.008 2.164 1.00 0.52 H new ATOM 0 HA THR A 87 7.851 -12.926 2.128 1.00 0.57 H new ATOM 0 HB THR A 87 8.772 -12.646 4.452 1.00 0.64 H new ATOM 0 HG1 THR A 87 9.443 -10.471 5.021 1.00 1.18 H new ATOM 0 HG21 THR A 87 10.977 -11.793 3.750 1.00 1.27 H new ATOM 0 HG22 THR A 87 10.282 -12.898 2.540 1.00 1.27 H new ATOM 0 HG23 THR A 87 10.246 -11.140 2.265 1.00 1.27 H new ATOM 1336 N SER A 88 6.319 -13.149 4.375 1.00 0.56 N ATOM 1337 CA SER A 88 5.129 -13.393 5.182 1.00 0.53 C ATOM 1338 C SER A 88 4.860 -12.219 6.117 1.00 0.48 C ATOM 1339 O SER A 88 3.718 -11.788 6.277 1.00 0.48 O ATOM 1340 CB SER A 88 5.290 -14.678 5.993 1.00 0.62 C ATOM 1341 OG SER A 88 5.504 -15.795 5.147 1.00 1.53 O ATOM 0 H SER A 88 7.089 -13.793 4.556 1.00 0.56 H new ATOM 0 HA SER A 88 4.279 -13.503 4.508 1.00 0.53 H new ATOM 0 HB2 SER A 88 6.129 -14.574 6.681 1.00 0.62 H new ATOM 0 HB3 SER A 88 4.399 -14.843 6.599 1.00 0.62 H new ATOM 0 HG SER A 88 5.605 -16.603 5.692 1.00 1.53 H new ATOM 1347 N ASP A 89 5.921 -11.709 6.737 1.00 0.51 N ATOM 1348 CA ASP A 89 5.803 -10.580 7.653 1.00 0.51 C ATOM 1349 C ASP A 89 5.211 -9.371 6.938 1.00 0.44 C ATOM 1350 O ASP A 89 4.503 -8.564 7.541 1.00 0.45 O ATOM 1351 CB ASP A 89 7.170 -10.223 8.238 1.00 0.59 C ATOM 1352 CG ASP A 89 7.764 -11.356 9.053 1.00 1.48 C ATOM 1353 OD1 ASP A 89 8.400 -12.248 8.454 1.00 2.34 O ATOM 1354 OD2 ASP A 89 7.596 -11.348 10.291 1.00 1.85 O ATOM 0 H ASP A 89 6.872 -12.060 6.621 1.00 0.51 H new ATOM 0 HA ASP A 89 5.136 -10.867 8.466 1.00 0.51 H new ATOM 0 HB2 ASP A 89 7.852 -9.965 7.428 1.00 0.59 H new ATOM 0 HB3 ASP A 89 7.073 -9.338 8.867 1.00 0.59 H new ATOM 1359 N GLN A 90 5.508 -9.257 5.648 1.00 0.44 N ATOM 1360 CA GLN A 90 5.005 -8.153 4.840 1.00 0.42 C ATOM 1361 C GLN A 90 3.571 -8.415 4.395 1.00 0.39 C ATOM 1362 O GLN A 90 2.852 -7.495 4.012 1.00 0.52 O ATOM 1363 CB GLN A 90 5.898 -7.940 3.615 1.00 0.49 C ATOM 1364 CG GLN A 90 7.227 -7.275 3.938 1.00 0.59 C ATOM 1365 CD GLN A 90 7.790 -6.505 2.760 1.00 0.75 C ATOM 1366 OE1 GLN A 90 7.542 -5.308 2.611 1.00 1.63 O ATOM 1367 NE2 GLN A 90 8.545 -7.190 1.912 1.00 0.91 N ATOM 0 H GLN A 90 6.096 -9.917 5.139 1.00 0.44 H new ATOM 0 HA GLN A 90 5.019 -7.252 5.453 1.00 0.42 H new ATOM 0 HB2 GLN A 90 6.089 -8.904 3.143 1.00 0.49 H new ATOM 0 HB3 GLN A 90 5.363 -7.329 2.888 1.00 0.49 H new ATOM 0 HG2 GLN A 90 7.095 -6.598 4.782 1.00 0.59 H new ATOM 0 HG3 GLN A 90 7.944 -8.035 4.248 1.00 0.59 H new ATOM 0 HE21 GLN A 90 8.724 -8.181 2.075 1.00 0.91 H new ATOM 0 HE22 GLN A 90 8.946 -6.726 1.097 1.00 0.91 H new ATOM 1376 N ALA A 91 3.161 -9.676 4.451 1.00 0.37 N ATOM 1377 CA ALA A 91 1.816 -10.062 4.044 1.00 0.37 C ATOM 1378 C ALA A 91 0.791 -9.801 5.144 1.00 0.34 C ATOM 1379 O ALA A 91 -0.406 -9.728 4.878 1.00 0.40 O ATOM 1380 CB ALA A 91 1.790 -11.528 3.644 1.00 0.45 C ATOM 0 H ALA A 91 3.742 -10.450 4.775 1.00 0.37 H new ATOM 0 HA ALA A 91 1.544 -9.447 3.186 1.00 0.37 H new ATOM 0 HB1 ALA A 91 0.780 -11.805 3.342 1.00 0.45 H new ATOM 0 HB2 ALA A 91 2.475 -11.690 2.812 1.00 0.45 H new ATOM 0 HB3 ALA A 91 2.096 -12.142 4.491 1.00 0.45 H new ATOM 1386 N ALA A 92 1.262 -9.663 6.378 1.00 0.31 N ATOM 1387 CA ALA A 92 0.371 -9.430 7.512 1.00 0.33 C ATOM 1388 C ALA A 92 -0.103 -7.982 7.585 1.00 0.28 C ATOM 1389 O ALA A 92 -1.248 -7.720 7.948 1.00 0.34 O ATOM 1390 CB ALA A 92 1.061 -9.815 8.810 1.00 0.40 C ATOM 0 H ALA A 92 2.252 -9.708 6.620 1.00 0.31 H new ATOM 0 HA ALA A 92 -0.509 -10.057 7.365 1.00 0.33 H new ATOM 0 HB1 ALA A 92 0.386 -9.637 9.647 1.00 0.40 H new ATOM 0 HB2 ALA A 92 1.330 -10.871 8.780 1.00 0.40 H new ATOM 0 HB3 ALA A 92 1.962 -9.214 8.935 1.00 0.40 H new ATOM 1396 N VAL A 93 0.774 -7.047 7.241 1.00 0.26 N ATOM 1397 CA VAL A 93 0.431 -5.630 7.303 1.00 0.30 C ATOM 1398 C VAL A 93 -0.251 -5.140 6.022 1.00 0.28 C ATOM 1399 O VAL A 93 -1.119 -4.267 6.072 1.00 0.35 O ATOM 1400 CB VAL A 93 1.682 -4.767 7.599 1.00 0.41 C ATOM 1401 CG1 VAL A 93 2.079 -3.916 6.400 1.00 0.43 C ATOM 1402 CG2 VAL A 93 1.447 -3.902 8.825 1.00 0.55 C ATOM 0 H VAL A 93 1.722 -7.241 6.918 1.00 0.26 H new ATOM 0 HA VAL A 93 -0.280 -5.518 8.121 1.00 0.30 H new ATOM 0 HB VAL A 93 2.513 -5.443 7.802 1.00 0.41 H new ATOM 0 HG11 VAL A 93 2.961 -3.326 6.649 1.00 0.43 H new ATOM 0 HG12 VAL A 93 2.303 -4.564 5.552 1.00 0.43 H new ATOM 0 HG13 VAL A 93 1.257 -3.249 6.139 1.00 0.43 H new ATOM 0 HG21 VAL A 93 2.335 -3.301 9.022 1.00 0.55 H new ATOM 0 HG22 VAL A 93 0.595 -3.245 8.649 1.00 0.55 H new ATOM 0 HG23 VAL A 93 1.242 -4.539 9.686 1.00 0.55 H new ATOM 1412 N ILE A 94 0.139 -5.698 4.880 1.00 0.24 N ATOM 1413 CA ILE A 94 -0.437 -5.286 3.602 1.00 0.25 C ATOM 1414 C ILE A 94 -1.798 -5.937 3.358 1.00 0.25 C ATOM 1415 O ILE A 94 -2.641 -5.368 2.671 1.00 0.28 O ATOM 1416 CB ILE A 94 0.510 -5.597 2.424 1.00 0.30 C ATOM 1417 CG1 ILE A 94 1.902 -5.025 2.702 1.00 0.40 C ATOM 1418 CG2 ILE A 94 -0.047 -5.021 1.128 1.00 0.31 C ATOM 1419 CD1 ILE A 94 2.918 -5.343 1.625 1.00 0.52 C ATOM 0 H ILE A 94 0.845 -6.431 4.812 1.00 0.24 H new ATOM 0 HA ILE A 94 -0.576 -4.206 3.659 1.00 0.25 H new ATOM 0 HB ILE A 94 0.589 -6.679 2.317 1.00 0.30 H new ATOM 0 HG12 ILE A 94 1.826 -3.943 2.809 1.00 0.40 H new ATOM 0 HG13 ILE A 94 2.261 -5.415 3.654 1.00 0.40 H new ATOM 0 HG21 ILE A 94 0.633 -5.249 0.307 1.00 0.31 H new ATOM 0 HG22 ILE A 94 -1.023 -5.461 0.924 1.00 0.31 H new ATOM 0 HG23 ILE A 94 -0.150 -3.940 1.225 1.00 0.31 H new ATOM 0 HD11 ILE A 94 3.880 -4.905 1.891 1.00 0.52 H new ATOM 0 HD12 ILE A 94 3.024 -6.424 1.533 1.00 0.52 H new ATOM 0 HD13 ILE A 94 2.582 -4.929 0.674 1.00 0.52 H new ATOM 1431 N SER A 95 -2.014 -7.123 3.921 1.00 0.27 N ATOM 1432 CA SER A 95 -3.291 -7.825 3.762 1.00 0.34 C ATOM 1433 C SER A 95 -4.417 -7.041 4.426 1.00 0.39 C ATOM 1434 O SER A 95 -5.598 -7.293 4.186 1.00 0.47 O ATOM 1435 CB SER A 95 -3.213 -9.228 4.366 1.00 0.40 C ATOM 1436 OG SER A 95 -4.451 -9.907 4.240 1.00 0.49 O ATOM 0 H SER A 95 -1.327 -7.619 4.489 1.00 0.27 H new ATOM 0 HA SER A 95 -3.499 -7.911 2.696 1.00 0.34 H new ATOM 0 HB2 SER A 95 -2.429 -9.799 3.868 1.00 0.40 H new ATOM 0 HB3 SER A 95 -2.938 -9.160 5.418 1.00 0.40 H new ATOM 0 HG SER A 95 -5.166 -9.257 4.076 1.00 0.49 H new ATOM 1442 N LYS A 96 -4.030 -6.097 5.269 1.00 0.38 N ATOM 1443 CA LYS A 96 -4.976 -5.262 5.996 1.00 0.46 C ATOM 1444 C LYS A 96 -5.435 -4.074 5.151 1.00 0.45 C ATOM 1445 O LYS A 96 -6.198 -3.228 5.618 1.00 0.53 O ATOM 1446 CB LYS A 96 -4.335 -4.779 7.298 1.00 0.50 C ATOM 1447 CG LYS A 96 -3.703 -5.905 8.099 1.00 0.57 C ATOM 1448 CD LYS A 96 -2.766 -5.380 9.173 1.00 0.80 C ATOM 1449 CE LYS A 96 -3.532 -4.768 10.333 1.00 1.32 C ATOM 1450 NZ LYS A 96 -2.623 -4.272 11.403 1.00 2.12 N ATOM 0 H LYS A 96 -3.052 -5.887 5.469 1.00 0.38 H new ATOM 0 HA LYS A 96 -5.858 -5.859 6.227 1.00 0.46 H new ATOM 0 HB2 LYS A 96 -3.575 -4.033 7.068 1.00 0.50 H new ATOM 0 HB3 LYS A 96 -5.091 -4.286 7.908 1.00 0.50 H new ATOM 0 HG2 LYS A 96 -4.486 -6.505 8.562 1.00 0.57 H new ATOM 0 HG3 LYS A 96 -3.152 -6.564 7.427 1.00 0.57 H new ATOM 0 HD2 LYS A 96 -2.139 -6.193 9.539 1.00 0.80 H new ATOM 0 HD3 LYS A 96 -2.100 -4.633 8.742 1.00 0.80 H new ATOM 0 HE2 LYS A 96 -4.145 -3.944 9.968 1.00 1.32 H new ATOM 0 HE3 LYS A 96 -4.212 -5.511 10.750 1.00 1.32 H new ATOM 0 HZ1 LYS A 96 -3.187 -3.862 12.175 1.00 2.12 H new ATOM 0 HZ2 LYS A 96 -2.055 -5.062 11.770 1.00 2.12 H new ATOM 0 HZ3 LYS A 96 -1.991 -3.544 11.012 1.00 2.12 H new ATOM 1464 N PHE A 97 -4.951 -4.013 3.912 1.00 0.39 N ATOM 1465 CA PHE A 97 -5.287 -2.923 2.993 1.00 0.40 C ATOM 1466 C PHE A 97 -6.792 -2.624 2.907 1.00 0.48 C ATOM 1467 O PHE A 97 -7.179 -1.611 2.325 1.00 0.56 O ATOM 1468 CB PHE A 97 -4.717 -3.179 1.582 1.00 0.37 C ATOM 1469 CG PHE A 97 -4.817 -4.598 1.060 1.00 0.37 C ATOM 1470 CD1 PHE A 97 -5.616 -5.519 1.725 1.00 0.43 C ATOM 1471 CD2 PHE A 97 -4.143 -5.016 -0.079 1.00 0.42 C ATOM 1472 CE1 PHE A 97 -5.738 -6.818 1.268 1.00 0.50 C ATOM 1473 CE2 PHE A 97 -4.267 -6.315 -0.541 1.00 0.50 C ATOM 1474 CZ PHE A 97 -4.940 -7.200 0.072 1.00 0.53 C ATOM 0 H PHE A 97 -4.320 -4.711 3.518 1.00 0.39 H new ATOM 0 HA PHE A 97 -4.816 -2.037 3.418 1.00 0.40 H new ATOM 0 HB2 PHE A 97 -5.231 -2.521 0.882 1.00 0.37 H new ATOM 0 HB3 PHE A 97 -3.667 -2.888 1.580 1.00 0.37 H new ATOM 0 HD1 PHE A 97 -6.150 -5.216 2.613 1.00 0.43 H new ATOM 0 HD2 PHE A 97 -3.514 -4.319 -0.612 1.00 0.42 H new ATOM 0 HE1 PHE A 97 -6.387 -7.527 1.760 1.00 0.50 H new ATOM 0 HE2 PHE A 97 -3.771 -6.587 -1.461 1.00 0.50 H new ATOM 0 HZ PHE A 97 -4.933 -8.224 -0.273 1.00 0.53 H new ATOM 1484 N TRP A 98 -7.647 -3.482 3.471 1.00 0.52 N ATOM 1485 CA TRP A 98 -9.090 -3.222 3.430 1.00 0.63 C ATOM 1486 C TRP A 98 -9.747 -3.387 4.797 1.00 0.69 C ATOM 1487 O TRP A 98 -10.923 -3.061 4.964 1.00 0.78 O ATOM 1488 CB TRP A 98 -9.800 -4.106 2.393 1.00 0.67 C ATOM 1489 CG TRP A 98 -9.536 -5.575 2.539 1.00 0.66 C ATOM 1490 CD1 TRP A 98 -8.782 -6.348 1.710 1.00 0.74 C ATOM 1491 CD2 TRP A 98 -10.042 -6.455 3.555 1.00 0.72 C ATOM 1492 NE1 TRP A 98 -8.764 -7.646 2.153 1.00 0.85 N ATOM 1493 CE2 TRP A 98 -9.532 -7.738 3.282 1.00 0.83 C ATOM 1494 CE3 TRP A 98 -10.866 -6.285 4.673 1.00 0.78 C ATOM 1495 CZ2 TRP A 98 -9.818 -8.842 4.081 1.00 0.97 C ATOM 1496 CZ3 TRP A 98 -11.152 -7.383 5.464 1.00 0.92 C ATOM 1497 CH2 TRP A 98 -10.627 -8.646 5.166 1.00 1.00 C ATOM 0 H TRP A 98 -7.376 -4.341 3.950 1.00 0.52 H new ATOM 0 HA TRP A 98 -9.200 -2.180 3.129 1.00 0.63 H new ATOM 0 HB2 TRP A 98 -10.874 -3.935 2.463 1.00 0.67 H new ATOM 0 HB3 TRP A 98 -9.492 -3.792 1.396 1.00 0.67 H new ATOM 0 HD1 TRP A 98 -8.271 -5.990 0.829 1.00 0.74 H new ATOM 0 HE1 TRP A 98 -8.261 -8.416 1.713 1.00 0.85 H new ATOM 0 HE3 TRP A 98 -11.272 -5.314 4.914 1.00 0.78 H new ATOM 0 HZ2 TRP A 98 -9.415 -9.818 3.852 1.00 0.97 H new ATOM 0 HZ3 TRP A 98 -11.791 -7.264 6.326 1.00 0.92 H new ATOM 0 HH2 TRP A 98 -10.866 -9.483 5.806 1.00 1.00 H new ATOM 1508 N LYS A 99 -8.999 -3.892 5.774 1.00 0.75 N ATOM 1509 CA LYS A 99 -9.542 -4.080 7.117 1.00 0.91 C ATOM 1510 C LYS A 99 -9.121 -2.939 8.037 1.00 1.11 C ATOM 1511 O LYS A 99 -9.685 -2.756 9.117 1.00 1.33 O ATOM 1512 CB LYS A 99 -9.093 -5.423 7.705 1.00 0.90 C ATOM 1513 CG LYS A 99 -7.636 -5.448 8.147 1.00 0.87 C ATOM 1514 CD LYS A 99 -7.494 -5.968 9.570 1.00 1.38 C ATOM 1515 CE LYS A 99 -8.061 -4.985 10.583 1.00 1.51 C ATOM 1516 NZ LYS A 99 -7.977 -5.506 11.975 1.00 1.67 N ATOM 0 H LYS A 99 -8.025 -4.176 5.664 1.00 0.75 H new ATOM 0 HA LYS A 99 -10.629 -4.081 7.039 1.00 0.91 H new ATOM 0 HB2 LYS A 99 -9.726 -5.664 8.559 1.00 0.90 H new ATOM 0 HB3 LYS A 99 -9.250 -6.204 6.962 1.00 0.90 H new ATOM 0 HG2 LYS A 99 -7.060 -6.078 7.469 1.00 0.87 H new ATOM 0 HG3 LYS A 99 -7.218 -4.444 8.082 1.00 0.87 H new ATOM 0 HD2 LYS A 99 -8.009 -6.924 9.662 1.00 1.38 H new ATOM 0 HD3 LYS A 99 -6.442 -6.150 9.788 1.00 1.38 H new ATOM 0 HE2 LYS A 99 -7.518 -4.042 10.516 1.00 1.51 H new ATOM 0 HE3 LYS A 99 -9.102 -4.772 10.338 1.00 1.51 H new ATOM 0 HZ1 LYS A 99 -8.374 -4.805 12.633 1.00 1.67 H new ATOM 0 HZ2 LYS A 99 -8.516 -6.392 12.047 1.00 1.67 H new ATOM 0 HZ3 LYS A 99 -6.982 -5.685 12.219 1.00 1.67 H new