USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 414 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 89 ASN : amide:sc= 0.695 K(o=1,f=-5.4!) USER MOD Set 1.2: A 108 HIS : no HD1:sc= 0.306 K(o=1,f=-6.1!) USER MOD Set 2.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 87 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.17) USER MOD Set 3.1: A 32 GLN : amide:sc= -1.28! X(o=-0.55!,f=-0.56) USER MOD Set 3.2: A 41 GLN : amide:sc= -0.0361 K(o=-0.55,f=-1.8!) USER MOD Set 3.3: A 43 ASN : amide:sc= 0.767 K(o=-0.55,f=-1.8) USER MOD Single : A 38 ASN : amide:sc= 0.663 K(o=0.66,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.0701 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 150:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 139:sc= -2.17! (180deg=-4.89!) USER MOD Single : A 106 LYS NZ :NH3+ 160:sc= 1.25 (180deg=1) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -168:sc= -0.0162 (180deg=-0.157) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot -70:sc= 0.634 USER MOD Single : A 118 TYR OH : rot 180:sc= -0.229 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N GLY A 29 5.986 -2.979 -6.030 1.00 1.43 N ATOM 51 CA GLY A 29 5.978 -1.960 -7.056 1.00 0.99 C ATOM 52 C GLY A 29 4.633 -1.293 -7.206 1.00 0.78 C ATOM 53 O GLY A 29 4.528 -0.077 -7.080 1.00 1.00 O ATOM 0 HA2 GLY A 29 6.728 -1.206 -6.819 1.00 0.99 H new ATOM 0 HA3 GLY A 29 6.265 -2.407 -8.008 1.00 0.99 H new ATOM 57 N ALA A 30 3.602 -2.080 -7.473 1.00 0.70 N ATOM 58 CA ALA A 30 2.273 -1.530 -7.678 1.00 0.54 C ATOM 59 C ALA A 30 1.192 -2.453 -7.136 1.00 0.49 C ATOM 60 O ALA A 30 0.955 -3.534 -7.673 1.00 0.60 O ATOM 61 CB ALA A 30 2.037 -1.280 -9.156 1.00 0.68 C ATOM 0 H ALA A 30 3.660 -3.095 -7.552 1.00 0.70 H new ATOM 0 HA ALA A 30 2.217 -0.589 -7.131 1.00 0.54 H new ATOM 0 HB1 ALA A 30 1.038 -0.868 -9.300 1.00 0.68 H new ATOM 0 HB2 ALA A 30 2.779 -0.573 -9.528 1.00 0.68 H new ATOM 0 HB3 ALA A 30 2.124 -2.219 -9.702 1.00 0.68 H new ATOM 67 N ILE A 31 0.535 -2.026 -6.077 1.00 0.40 N ATOM 68 CA ILE A 31 -0.590 -2.760 -5.530 1.00 0.39 C ATOM 69 C ILE A 31 -1.756 -1.820 -5.284 1.00 0.35 C ATOM 70 O ILE A 31 -1.560 -0.662 -4.941 1.00 0.36 O ATOM 71 CB ILE A 31 -0.276 -3.408 -4.411 1.00 0.46 C ATOM 72 CG1 ILE A 31 -1.502 -4.072 -3.783 1.00 0.48 C ATOM 73 CG2 ILE A 31 0.438 -2.491 -3.416 1.00 0.52 C ATOM 74 CD1 ILE A 31 -1.305 -4.534 -2.356 1.00 0.90 C ATOM 0 H ILE A 31 0.762 -1.168 -5.574 1.00 0.40 H new ATOM 0 HA ILE A 31 -0.876 -3.511 -6.266 1.00 0.39 H new ATOM 0 HB ILE A 31 0.420 -4.203 -4.679 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -2.335 -3.369 -3.812 1.00 0.48 H new ATOM 0 HG13 ILE A 31 -1.787 -4.929 -4.393 1.00 0.48 H new ATOM 0 HG21 ILE A 31 0.680 -3.052 -2.513 1.00 0.52 H new ATOM 0 HG22 ILE A 31 1.356 -2.112 -3.865 1.00 0.52 H new ATOM 0 HG23 ILE A 31 -0.213 -1.655 -3.160 1.00 0.52 H new ATOM 0 HD11 ILE A 31 -2.224 -4.992 -1.992 1.00 0.90 H new ATOM 0 HD12 ILE A 31 -0.496 -5.264 -2.318 1.00 0.90 H new ATOM 0 HD13 ILE A 31 -1.052 -3.679 -1.728 1.00 0.90 H new ATOM 86 N GLN A 32 -2.957 -2.281 -5.572 1.00 0.38 N ATOM 87 CA GLN A 32 -4.139 -1.519 -5.225 1.00 0.40 C ATOM 88 C GLN A 32 -4.871 -2.183 -4.079 1.00 0.37 C ATOM 89 O GLN A 32 -5.109 -3.395 -4.083 1.00 0.44 O ATOM 90 CB GLN A 32 -5.081 -1.316 -6.413 1.00 0.50 C ATOM 91 CG GLN A 32 -5.685 -2.587 -6.983 1.00 0.55 C ATOM 92 CD GLN A 32 -6.864 -2.341 -7.919 1.00 1.11 C ATOM 93 OE1 GLN A 32 -7.079 -3.100 -8.862 1.00 2.22 O ATOM 94 NE2 GLN A 32 -7.658 -1.309 -7.658 1.00 0.93 N ATOM 0 H GLN A 32 -3.139 -3.169 -6.040 1.00 0.38 H new ATOM 0 HA GLN A 32 -3.802 -0.529 -4.917 1.00 0.40 H new ATOM 0 HB2 GLN A 32 -5.891 -0.654 -6.105 1.00 0.50 H new ATOM 0 HB3 GLN A 32 -4.535 -0.805 -7.206 1.00 0.50 H new ATOM 0 HG2 GLN A 32 -4.913 -3.135 -7.523 1.00 0.55 H new ATOM 0 HG3 GLN A 32 -6.012 -3.223 -6.161 1.00 0.55 H new ATOM 0 HE21 GLN A 32 -7.455 -0.696 -6.868 1.00 0.93 H new ATOM 0 HE22 GLN A 32 -8.471 -1.129 -8.247 1.00 0.93 H new ATOM 103 N LEU A 33 -5.195 -1.388 -3.089 1.00 0.34 N ATOM 104 CA LEU A 33 -5.991 -1.857 -1.974 1.00 0.36 C ATOM 105 C LEU A 33 -7.268 -1.045 -1.886 1.00 0.35 C ATOM 106 O LEU A 33 -7.358 0.056 -2.425 1.00 0.43 O ATOM 107 CB LEU A 33 -5.185 -1.810 -0.663 1.00 0.45 C ATOM 108 CG LEU A 33 -4.476 -0.489 -0.338 1.00 0.46 C ATOM 109 CD1 LEU A 33 -5.446 0.553 0.197 1.00 0.72 C ATOM 110 CD2 LEU A 33 -3.352 -0.730 0.657 1.00 0.71 C ATOM 0 H LEU A 33 -4.920 -0.408 -3.030 1.00 0.34 H new ATOM 0 HA LEU A 33 -6.261 -2.900 -2.138 1.00 0.36 H new ATOM 0 HB2 LEU A 33 -5.860 -2.046 0.160 1.00 0.45 H new ATOM 0 HB3 LEU A 33 -4.435 -2.600 -0.696 1.00 0.45 H new ATOM 0 HG LEU A 33 -4.055 -0.099 -1.265 1.00 0.46 H new ATOM 0 HD11 LEU A 33 -4.906 1.474 0.415 1.00 0.72 H new ATOM 0 HD12 LEU A 33 -6.215 0.751 -0.549 1.00 0.72 H new ATOM 0 HD13 LEU A 33 -5.913 0.181 1.109 1.00 0.72 H new ATOM 0 HD21 LEU A 33 -2.855 0.214 0.881 1.00 0.71 H new ATOM 0 HD22 LEU A 33 -3.763 -1.150 1.575 1.00 0.71 H new ATOM 0 HD23 LEU A 33 -2.631 -1.427 0.230 1.00 0.71 H new ATOM 122 N ASP A 34 -8.262 -1.607 -1.247 1.00 0.35 N ATOM 123 CA ASP A 34 -9.533 -0.928 -1.070 1.00 0.45 C ATOM 124 C ASP A 34 -9.396 0.154 -0.006 1.00 0.53 C ATOM 125 O ASP A 34 -8.563 0.051 0.898 1.00 0.58 O ATOM 126 CB ASP A 34 -10.626 -1.954 -0.728 1.00 0.55 C ATOM 127 CG ASP A 34 -11.223 -1.780 0.653 1.00 0.65 C ATOM 128 OD1 ASP A 34 -10.500 -1.969 1.649 1.00 0.88 O ATOM 129 OD2 ASP A 34 -12.428 -1.488 0.741 1.00 1.15 O ATOM 0 H ASP A 34 -8.221 -2.540 -0.836 1.00 0.35 H new ATOM 0 HA ASP A 34 -9.828 -0.435 -1.996 1.00 0.45 H new ATOM 0 HB2 ASP A 34 -11.422 -1.882 -1.469 1.00 0.55 H new ATOM 0 HB3 ASP A 34 -10.206 -2.957 -0.808 1.00 0.55 H new ATOM 134 N GLY A 35 -10.214 1.188 -0.124 1.00 0.67 N ATOM 135 CA GLY A 35 -10.086 2.363 0.717 1.00 0.84 C ATOM 136 C GLY A 35 -10.679 2.152 2.085 1.00 0.85 C ATOM 137 O GLY A 35 -11.291 3.052 2.660 1.00 1.20 O ATOM 0 H GLY A 35 -10.977 1.235 -0.799 1.00 0.67 H new ATOM 0 HA2 GLY A 35 -9.032 2.623 0.816 1.00 0.84 H new ATOM 0 HA3 GLY A 35 -10.579 3.207 0.236 1.00 0.84 H new ATOM 141 N ASP A 36 -10.499 0.953 2.591 1.00 0.69 N ATOM 142 CA ASP A 36 -11.029 0.570 3.885 1.00 0.83 C ATOM 143 C ASP A 36 -10.021 -0.296 4.641 1.00 0.83 C ATOM 144 O ASP A 36 -9.912 -0.214 5.866 1.00 1.10 O ATOM 145 CB ASP A 36 -12.359 -0.155 3.678 1.00 0.89 C ATOM 146 CG ASP A 36 -12.912 -0.789 4.938 1.00 1.24 C ATOM 147 OD1 ASP A 36 -13.312 -1.976 4.892 1.00 1.81 O ATOM 148 OD2 ASP A 36 -12.909 -0.120 5.993 1.00 1.77 O ATOM 0 H ASP A 36 -9.980 0.213 2.118 1.00 0.69 H new ATOM 0 HA ASP A 36 -11.206 1.457 4.494 1.00 0.83 H new ATOM 0 HB2 ASP A 36 -13.091 0.552 3.287 1.00 0.89 H new ATOM 0 HB3 ASP A 36 -12.227 -0.928 2.921 1.00 0.89 H new ATOM 153 N GLY A 37 -9.262 -1.105 3.910 1.00 0.67 N ATOM 154 CA GLY A 37 -8.203 -1.882 4.531 1.00 0.81 C ATOM 155 C GLY A 37 -8.063 -3.277 3.946 1.00 0.78 C ATOM 156 O GLY A 37 -7.358 -4.120 4.499 1.00 1.05 O ATOM 0 H GLY A 37 -9.359 -1.237 2.903 1.00 0.67 H new ATOM 0 HA2 GLY A 37 -7.258 -1.351 4.418 1.00 0.81 H new ATOM 0 HA3 GLY A 37 -8.399 -1.961 5.600 1.00 0.81 H new ATOM 160 N ASN A 38 -8.726 -3.514 2.826 1.00 0.61 N ATOM 161 CA ASN A 38 -8.724 -4.820 2.181 1.00 0.73 C ATOM 162 C ASN A 38 -7.853 -4.787 0.932 1.00 0.57 C ATOM 163 O ASN A 38 -7.794 -3.774 0.239 1.00 0.49 O ATOM 164 CB ASN A 38 -10.157 -5.214 1.799 1.00 0.95 C ATOM 165 CG ASN A 38 -11.118 -5.155 2.974 1.00 1.13 C ATOM 166 OD1 ASN A 38 -11.338 -6.151 3.661 1.00 1.57 O ATOM 167 ND2 ASN A 38 -11.695 -3.985 3.212 1.00 1.38 N ATOM 0 H ASN A 38 -9.280 -2.810 2.338 1.00 0.61 H new ATOM 0 HA ASN A 38 -8.320 -5.555 2.877 1.00 0.73 H new ATOM 0 HB2 ASN A 38 -10.513 -4.551 1.011 1.00 0.95 H new ATOM 0 HB3 ASN A 38 -10.154 -6.224 1.389 1.00 0.95 H new ATOM 0 HD21 ASN A 38 -12.348 -3.887 3.989 1.00 1.38 H new ATOM 0 HD22 ASN A 38 -11.485 -3.183 2.618 1.00 1.38 H new ATOM 174 N ILE A 39 -7.168 -5.884 0.645 1.00 0.65 N ATOM 175 CA ILE A 39 -6.365 -5.969 -0.564 1.00 0.57 C ATOM 176 C ILE A 39 -7.276 -6.170 -1.772 1.00 0.59 C ATOM 177 O ILE A 39 -8.231 -6.943 -1.716 1.00 0.77 O ATOM 178 CB ILE A 39 -5.458 -6.944 -0.480 1.00 0.62 C ATOM 179 CG1 ILE A 39 -4.466 -6.665 0.653 1.00 0.72 C ATOM 180 CG2 ILE A 39 -4.711 -7.138 -1.801 1.00 0.61 C ATOM 181 CD1 ILE A 39 -3.689 -5.374 0.492 1.00 1.18 C ATOM 0 H ILE A 39 -7.152 -6.721 1.228 1.00 0.65 H new ATOM 0 HA ILE A 39 -5.819 -5.033 -0.684 1.00 0.57 H new ATOM 0 HB ILE A 39 -5.994 -7.867 -0.261 1.00 0.62 H new ATOM 0 HG12 ILE A 39 -5.009 -6.634 1.597 1.00 0.72 H new ATOM 0 HG13 ILE A 39 -3.762 -7.495 0.717 1.00 0.72 H new ATOM 0 HG21 ILE A 39 -3.981 -7.940 -1.692 1.00 0.61 H new ATOM 0 HG22 ILE A 39 -5.421 -7.398 -2.586 1.00 0.61 H new ATOM 0 HG23 ILE A 39 -4.197 -6.214 -2.068 1.00 0.61 H new ATOM 0 HD11 ILE A 39 -3.009 -5.251 1.335 1.00 1.18 H new ATOM 0 HD12 ILE A 39 -3.116 -5.407 -0.434 1.00 1.18 H new ATOM 0 HD13 ILE A 39 -4.382 -4.534 0.459 1.00 1.18 H new ATOM 193 N LEU A 40 -7.011 -5.428 -2.835 1.00 0.51 N ATOM 194 CA LEU A 40 -7.870 -5.429 -4.004 1.00 0.61 C ATOM 195 C LEU A 40 -7.185 -6.203 -5.119 1.00 0.60 C ATOM 196 O LEU A 40 -7.672 -7.237 -5.584 1.00 0.72 O ATOM 197 CB LEU A 40 -8.123 -3.980 -4.437 1.00 0.66 C ATOM 198 CG LEU A 40 -9.443 -3.690 -5.154 1.00 1.07 C ATOM 199 CD1 LEU A 40 -9.617 -4.547 -6.395 1.00 1.56 C ATOM 200 CD2 LEU A 40 -10.618 -3.880 -4.209 1.00 1.54 C ATOM 0 H LEU A 40 -6.201 -4.813 -2.910 1.00 0.51 H new ATOM 0 HA LEU A 40 -8.824 -5.904 -3.776 1.00 0.61 H new ATOM 0 HB2 LEU A 40 -8.073 -3.348 -3.550 1.00 0.66 H new ATOM 0 HB3 LEU A 40 -7.307 -3.675 -5.092 1.00 0.66 H new ATOM 0 HG LEU A 40 -9.413 -2.649 -5.477 1.00 1.07 H new ATOM 0 HD11 LEU A 40 -10.567 -4.308 -6.872 1.00 1.56 H new ATOM 0 HD12 LEU A 40 -8.802 -4.349 -7.091 1.00 1.56 H new ATOM 0 HD13 LEU A 40 -9.607 -5.600 -6.114 1.00 1.56 H new ATOM 0 HD21 LEU A 40 -11.548 -3.669 -4.737 1.00 1.54 H new ATOM 0 HD22 LEU A 40 -10.631 -4.908 -3.847 1.00 1.54 H new ATOM 0 HD23 LEU A 40 -10.519 -3.199 -3.364 1.00 1.54 H new ATOM 212 N GLN A 41 -6.046 -5.684 -5.535 1.00 0.50 N ATOM 213 CA GLN A 41 -5.223 -6.332 -6.550 1.00 0.55 C ATOM 214 C GLN A 41 -3.745 -6.113 -6.253 1.00 0.46 C ATOM 215 O GLN A 41 -3.236 -4.996 -6.365 1.00 0.46 O ATOM 216 CB GLN A 41 -5.550 -5.798 -7.945 1.00 0.67 C ATOM 217 CG GLN A 41 -4.766 -6.477 -9.057 1.00 1.08 C ATOM 218 CD GLN A 41 -4.794 -5.691 -10.355 1.00 1.73 C ATOM 219 OE1 GLN A 41 -4.870 -4.463 -10.347 1.00 2.41 O ATOM 220 NE2 GLN A 41 -4.741 -6.391 -11.475 1.00 2.37 N ATOM 0 H GLN A 41 -5.663 -4.806 -5.184 1.00 0.50 H new ATOM 0 HA GLN A 41 -5.442 -7.400 -6.526 1.00 0.55 H new ATOM 0 HB2 GLN A 41 -6.616 -5.926 -8.133 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.348 -4.727 -7.971 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -3.732 -6.609 -8.739 1.00 1.08 H new ATOM 0 HG3 GLN A 41 -5.176 -7.472 -9.230 1.00 1.08 H new ATOM 0 HE21 GLN A 41 -4.678 -7.408 -11.438 1.00 2.37 H new ATOM 0 HE22 GLN A 41 -4.763 -5.914 -12.376 1.00 2.37 H new ATOM 229 N TYR A 42 -3.067 -7.180 -5.868 1.00 0.57 N ATOM 230 CA TYR A 42 -1.647 -7.120 -5.564 1.00 0.58 C ATOM 231 C TYR A 42 -0.846 -7.639 -6.752 1.00 0.65 C ATOM 232 O TYR A 42 -0.894 -8.828 -7.069 1.00 0.79 O ATOM 233 CB TYR A 42 -1.357 -7.944 -4.307 1.00 0.71 C ATOM 234 CG TYR A 42 0.085 -7.929 -3.847 1.00 0.82 C ATOM 235 CD1 TYR A 42 0.736 -9.099 -3.482 1.00 1.09 C ATOM 236 CD2 TYR A 42 0.800 -6.740 -3.804 1.00 0.82 C ATOM 237 CE1 TYR A 42 2.060 -9.085 -3.081 1.00 1.26 C ATOM 238 CE2 TYR A 42 2.121 -6.716 -3.404 1.00 1.02 C ATOM 239 CZ TYR A 42 2.721 -7.913 -2.961 1.00 1.21 C ATOM 240 OH TYR A 42 4.065 -7.871 -2.650 1.00 1.42 O ATOM 0 H TYR A 42 -3.481 -8.106 -5.758 1.00 0.57 H new ATOM 0 HA TYR A 42 -1.353 -6.087 -5.376 1.00 0.58 H new ATOM 0 HB2 TYR A 42 -1.984 -7.574 -3.496 1.00 0.71 H new ATOM 0 HB3 TYR A 42 -1.652 -8.977 -4.492 1.00 0.71 H new ATOM 0 HD1 TYR A 42 0.200 -10.036 -3.511 1.00 1.09 H new ATOM 0 HD2 TYR A 42 0.315 -5.818 -4.088 1.00 0.82 H new ATOM 0 HE1 TYR A 42 2.567 -10.014 -2.863 1.00 1.26 H new ATOM 0 HE2 TYR A 42 2.686 -5.796 -3.430 1.00 1.02 H new ATOM 0 HH TYR A 42 4.362 -6.938 -2.609 1.00 1.42 H new ATOM 250 N ASN A 43 -0.130 -6.748 -7.423 1.00 0.63 N ATOM 251 CA ASN A 43 0.623 -7.127 -8.611 1.00 0.75 C ATOM 252 C ASN A 43 2.053 -7.488 -8.239 1.00 0.92 C ATOM 253 O ASN A 43 2.920 -6.617 -8.142 1.00 1.02 O ATOM 254 CB ASN A 43 0.626 -6.002 -9.652 1.00 0.78 C ATOM 255 CG ASN A 43 -0.766 -5.515 -10.012 1.00 0.73 C ATOM 256 OD1 ASN A 43 -1.437 -6.091 -10.865 1.00 1.21 O ATOM 257 ND2 ASN A 43 -1.197 -4.431 -9.384 1.00 0.88 N ATOM 0 H ASN A 43 -0.054 -5.763 -7.168 1.00 0.63 H new ATOM 0 HA ASN A 43 0.134 -7.997 -9.049 1.00 0.75 H new ATOM 0 HB2 ASN A 43 1.209 -5.164 -9.270 1.00 0.78 H new ATOM 0 HB3 ASN A 43 1.126 -6.353 -10.555 1.00 0.78 H new ATOM 0 HD21 ASN A 43 -2.116 -4.046 -9.603 1.00 0.88 H new ATOM 0 HD22 ASN A 43 -0.610 -3.981 -8.682 1.00 0.88 H new ATOM 756 N GLY A 77 1.062 7.350 4.435 1.00 3.20 N ATOM 757 CA GLY A 77 1.330 8.766 4.578 1.00 2.71 C ATOM 758 C GLY A 77 0.232 9.481 5.325 1.00 1.94 C ATOM 759 O GLY A 77 0.467 10.098 6.365 1.00 2.44 O ATOM 0 HA2 GLY A 77 2.275 8.904 5.104 1.00 2.71 H new ATOM 0 HA3 GLY A 77 1.447 9.213 3.591 1.00 2.71 H new ATOM 763 N LYS A 78 -0.972 9.388 4.791 1.00 1.39 N ATOM 764 CA LYS A 78 -2.137 10.035 5.373 1.00 1.29 C ATOM 765 C LYS A 78 -3.319 9.084 5.305 1.00 1.03 C ATOM 766 O LYS A 78 -4.446 9.522 5.201 1.00 1.02 O ATOM 767 CB LYS A 78 -2.475 11.307 4.580 1.00 2.10 C ATOM 768 CG LYS A 78 -1.352 12.332 4.521 1.00 2.61 C ATOM 769 CD LYS A 78 -1.139 13.015 5.863 1.00 3.18 C ATOM 770 CE LYS A 78 0.016 14.001 5.811 1.00 3.78 C ATOM 771 NZ LYS A 78 0.216 14.701 7.108 1.00 4.14 N ATOM 0 H LYS A 78 -1.172 8.861 3.941 1.00 1.39 H new ATOM 0 HA LYS A 78 -1.924 10.297 6.409 1.00 1.29 H new ATOM 0 HB2 LYS A 78 -2.745 11.024 3.563 1.00 2.10 H new ATOM 0 HB3 LYS A 78 -3.353 11.775 5.025 1.00 2.10 H new ATOM 0 HG2 LYS A 78 -0.429 11.842 4.212 1.00 2.61 H new ATOM 0 HG3 LYS A 78 -1.584 13.082 3.764 1.00 2.61 H new ATOM 0 HD2 LYS A 78 -2.050 13.536 6.155 1.00 3.18 H new ATOM 0 HD3 LYS A 78 -0.942 12.263 6.627 1.00 3.18 H new ATOM 0 HE2 LYS A 78 0.930 13.473 5.540 1.00 3.78 H new ATOM 0 HE3 LYS A 78 -0.171 14.736 5.028 1.00 3.78 H new ATOM 0 HZ1 LYS A 78 1.014 15.363 7.026 1.00 4.14 H new ATOM 0 HZ2 LYS A 78 -0.646 15.227 7.355 1.00 4.14 H new ATOM 0 HZ3 LYS A 78 0.421 14.003 7.851 1.00 4.14 H new ATOM 785 N PHE A 79 -3.055 7.785 5.433 1.00 0.95 N ATOM 786 CA PHE A 79 -3.997 6.752 4.980 1.00 0.77 C ATOM 787 C PHE A 79 -5.454 7.021 5.368 1.00 0.70 C ATOM 788 O PHE A 79 -6.339 6.945 4.495 1.00 0.64 O ATOM 789 CB PHE A 79 -3.594 5.362 5.472 1.00 0.88 C ATOM 790 CG PHE A 79 -4.313 4.270 4.732 1.00 0.79 C ATOM 791 CD1 PHE A 79 -5.443 3.668 5.264 1.00 0.86 C ATOM 792 CD2 PHE A 79 -3.872 3.869 3.482 1.00 0.78 C ATOM 793 CE1 PHE A 79 -6.118 2.688 4.560 1.00 0.85 C ATOM 794 CE2 PHE A 79 -4.537 2.888 2.777 1.00 0.84 C ATOM 795 CZ PHE A 79 -5.663 2.298 3.314 1.00 0.82 C ATOM 0 H PHE A 79 -2.198 7.418 5.846 1.00 0.95 H new ATOM 0 HA PHE A 79 -3.940 6.790 3.892 1.00 0.77 H new ATOM 0 HB2 PHE A 79 -2.518 5.233 5.352 1.00 0.88 H new ATOM 0 HB3 PHE A 79 -3.808 5.279 6.538 1.00 0.88 H new ATOM 0 HD1 PHE A 79 -5.800 3.968 6.238 1.00 0.86 H new ATOM 0 HD2 PHE A 79 -2.995 4.331 3.053 1.00 0.78 H new ATOM 0 HE1 PHE A 79 -6.999 2.228 4.983 1.00 0.85 H new ATOM 0 HE2 PHE A 79 -4.177 2.582 1.806 1.00 0.84 H new ATOM 0 HZ PHE A 79 -6.188 1.533 2.762 1.00 0.82 H new ATOM 805 N LYS A 80 -5.709 7.377 6.634 1.00 0.82 N ATOM 806 CA LYS A 80 -7.092 7.507 7.096 1.00 0.89 C ATOM 807 C LYS A 80 -7.658 8.842 6.640 1.00 0.81 C ATOM 808 O LYS A 80 -8.852 8.979 6.367 1.00 0.87 O ATOM 809 CB LYS A 80 -7.193 7.388 8.616 1.00 1.12 C ATOM 810 CG LYS A 80 -8.587 7.001 9.087 1.00 1.66 C ATOM 811 CD LYS A 80 -8.759 7.155 10.588 1.00 2.17 C ATOM 812 CE LYS A 80 -8.840 8.618 10.988 1.00 2.87 C ATOM 813 NZ LYS A 80 -9.232 8.781 12.411 1.00 3.48 N ATOM 0 H LYS A 80 -4.997 7.575 7.337 1.00 0.82 H new ATOM 0 HA LYS A 80 -7.672 6.692 6.662 1.00 0.89 H new ATOM 0 HB2 LYS A 80 -6.477 6.644 8.966 1.00 1.12 H new ATOM 0 HB3 LYS A 80 -6.912 8.339 9.070 1.00 1.12 H new ATOM 0 HG2 LYS A 80 -9.324 7.619 8.575 1.00 1.66 H new ATOM 0 HG3 LYS A 80 -8.788 5.967 8.806 1.00 1.66 H new ATOM 0 HD2 LYS A 80 -9.664 6.638 10.907 1.00 2.17 H new ATOM 0 HD3 LYS A 80 -7.923 6.681 11.102 1.00 2.17 H new ATOM 0 HE2 LYS A 80 -7.874 9.094 10.820 1.00 2.87 H new ATOM 0 HE3 LYS A 80 -9.562 9.129 10.351 1.00 2.87 H new ATOM 0 HZ1 LYS A 80 -9.276 9.793 12.645 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -10.165 8.349 12.566 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -8.529 8.315 13.020 1.00 3.48 H new ATOM 827 N GLU A 81 -6.772 9.813 6.526 1.00 0.78 N ATOM 828 CA GLU A 81 -7.121 11.131 6.034 1.00 0.78 C ATOM 829 C GLU A 81 -7.339 11.037 4.533 1.00 0.62 C ATOM 830 O GLU A 81 -8.168 11.734 3.963 1.00 0.64 O ATOM 831 CB GLU A 81 -5.991 12.107 6.359 1.00 0.96 C ATOM 832 CG GLU A 81 -6.276 13.552 6.002 1.00 1.53 C ATOM 833 CD GLU A 81 -5.099 14.455 6.311 1.00 2.31 C ATOM 834 OE1 GLU A 81 -4.986 15.525 5.684 1.00 3.07 O ATOM 835 OE2 GLU A 81 -4.275 14.097 7.182 1.00 2.63 O ATOM 0 H GLU A 81 -5.788 9.709 6.773 1.00 0.78 H new ATOM 0 HA GLU A 81 -8.033 11.493 6.509 1.00 0.78 H new ATOM 0 HB2 GLU A 81 -5.774 12.047 7.425 1.00 0.96 H new ATOM 0 HB3 GLU A 81 -5.092 11.788 5.832 1.00 0.96 H new ATOM 0 HG2 GLU A 81 -6.519 13.623 4.942 1.00 1.53 H new ATOM 0 HG3 GLU A 81 -7.151 13.896 6.553 1.00 1.53 H new ATOM 842 N GLY A 82 -6.596 10.123 3.923 1.00 0.55 N ATOM 843 CA GLY A 82 -6.704 9.849 2.523 1.00 0.47 C ATOM 844 C GLY A 82 -8.083 9.362 2.167 1.00 0.46 C ATOM 845 O GLY A 82 -8.680 9.779 1.173 1.00 0.49 O ATOM 0 H GLY A 82 -5.899 9.554 4.403 1.00 0.55 H new ATOM 0 HA2 GLY A 82 -6.476 10.751 1.955 1.00 0.47 H new ATOM 0 HA3 GLY A 82 -5.966 9.099 2.239 1.00 0.47 H new ATOM 849 N VAL A 83 -8.581 8.470 3.008 1.00 0.51 N ATOM 850 CA VAL A 83 -9.905 7.895 2.848 1.00 0.61 C ATOM 851 C VAL A 83 -10.976 8.965 3.017 1.00 0.70 C ATOM 852 O VAL A 83 -11.866 9.109 2.176 1.00 0.79 O ATOM 853 CB VAL A 83 -10.103 6.946 3.749 1.00 0.70 C ATOM 854 CG1 VAL A 83 -11.494 6.333 3.617 1.00 0.85 C ATOM 855 CG2 VAL A 83 -9.046 5.861 3.649 1.00 0.69 C ATOM 0 H VAL A 83 -8.076 8.124 3.824 1.00 0.51 H new ATOM 0 HA VAL A 83 -9.971 7.471 1.846 1.00 0.61 H new ATOM 0 HB VAL A 83 -10.026 7.416 4.729 1.00 0.70 H new ATOM 0 HG11 VAL A 83 -11.623 5.557 4.372 1.00 0.85 H new ATOM 0 HG12 VAL A 83 -12.248 7.107 3.760 1.00 0.85 H new ATOM 0 HG13 VAL A 83 -11.606 5.896 2.625 1.00 0.85 H new ATOM 0 HG21 VAL A 83 -9.237 5.097 4.402 1.00 0.69 H new ATOM 0 HG22 VAL A 83 -9.080 5.410 2.657 1.00 0.69 H new ATOM 0 HG23 VAL A 83 -8.061 6.296 3.815 1.00 0.69 H new ATOM 865 N ALA A 84 -10.842 9.753 4.075 1.00 0.76 N ATOM 866 CA ALA A 84 -11.865 10.717 4.442 1.00 0.94 C ATOM 867 C ALA A 84 -11.817 11.934 3.546 1.00 0.88 C ATOM 868 O ALA A 84 -12.839 12.566 3.282 1.00 1.07 O ATOM 869 CB ALA A 84 -11.727 11.117 5.903 1.00 1.12 C ATOM 0 H ALA A 84 -10.032 9.742 4.695 1.00 0.76 H new ATOM 0 HA ALA A 84 -12.837 10.242 4.306 1.00 0.94 H new ATOM 0 HB1 ALA A 84 -12.503 11.839 6.157 1.00 1.12 H new ATOM 0 HB2 ALA A 84 -11.833 10.234 6.533 1.00 1.12 H new ATOM 0 HB3 ALA A 84 -10.747 11.564 6.067 1.00 1.12 H new ATOM 875 N SER A 85 -10.627 12.262 3.080 1.00 0.76 N ATOM 876 CA SER A 85 -10.477 13.312 2.086 1.00 0.84 C ATOM 877 C SER A 85 -11.130 12.843 0.795 1.00 0.94 C ATOM 878 O SER A 85 -11.724 13.628 0.056 1.00 1.22 O ATOM 879 CB SER A 85 -8.999 13.652 1.863 1.00 1.19 C ATOM 880 OG SER A 85 -8.842 14.752 0.983 1.00 1.88 O ATOM 0 H SER A 85 -9.754 11.821 3.370 1.00 0.76 H new ATOM 0 HA SER A 85 -10.963 14.223 2.436 1.00 0.84 H new ATOM 0 HB2 SER A 85 -8.530 13.881 2.820 1.00 1.19 H new ATOM 0 HB3 SER A 85 -8.483 12.783 1.455 1.00 1.19 H new ATOM 0 HG SER A 85 -7.888 14.942 0.864 1.00 1.88 H new ATOM 886 N GLY A 86 -11.035 11.541 0.553 1.00 0.96 N ATOM 887 CA GLY A 86 -11.710 10.942 -0.574 1.00 1.46 C ATOM 888 C GLY A 86 -10.822 10.884 -1.788 1.00 1.21 C ATOM 889 O GLY A 86 -11.283 10.607 -2.895 1.00 1.66 O ATOM 0 H GLY A 86 -10.498 10.889 1.124 1.00 0.96 H new ATOM 0 HA2 GLY A 86 -12.033 9.935 -0.311 1.00 1.46 H new ATOM 0 HA3 GLY A 86 -12.608 11.515 -0.807 1.00 1.46 H new ATOM 893 N ASN A 87 -9.538 11.132 -1.573 1.00 0.66 N ATOM 894 CA ASN A 87 -8.576 11.161 -2.668 1.00 0.67 C ATOM 895 C ASN A 87 -7.149 11.030 -2.159 1.00 0.52 C ATOM 896 O ASN A 87 -6.312 11.908 -2.357 1.00 0.72 O ATOM 897 CB ASN A 87 -8.736 12.422 -3.541 1.00 0.95 C ATOM 898 CG ASN A 87 -8.667 13.729 -2.764 1.00 1.40 C ATOM 899 OD1 ASN A 87 -7.597 14.306 -2.579 1.00 2.08 O ATOM 900 ND2 ASN A 87 -9.813 14.220 -2.325 1.00 1.72 N ATOM 0 H ASN A 87 -9.138 11.316 -0.653 1.00 0.66 H new ATOM 0 HA ASN A 87 -8.788 10.298 -3.299 1.00 0.67 H new ATOM 0 HB2 ASN A 87 -7.957 12.424 -4.304 1.00 0.95 H new ATOM 0 HB3 ASN A 87 -9.692 12.371 -4.062 1.00 0.95 H new ATOM 0 HD21 ASN A 87 -9.827 15.103 -1.815 1.00 1.72 H new ATOM 0 HD22 ASN A 87 -10.683 13.715 -2.496 1.00 1.72 H new ATOM 907 N LEU A 88 -6.888 9.928 -1.477 1.00 0.40 N ATOM 908 CA LEU A 88 -5.543 9.583 -1.055 1.00 0.32 C ATOM 909 C LEU A 88 -4.629 9.423 -2.253 1.00 0.30 C ATOM 910 O LEU A 88 -4.547 8.350 -2.833 1.00 0.34 O ATOM 911 CB LEU A 88 -5.555 8.284 -0.272 1.00 0.37 C ATOM 912 CG LEU A 88 -4.540 8.232 0.842 1.00 0.42 C ATOM 913 CD1 LEU A 88 -4.750 6.994 1.695 1.00 0.56 C ATOM 914 CD2 LEU A 88 -3.111 8.275 0.313 1.00 0.48 C ATOM 0 H LEU A 88 -7.599 9.251 -1.202 1.00 0.40 H new ATOM 0 HA LEU A 88 -5.173 10.391 -0.424 1.00 0.32 H new ATOM 0 HB2 LEU A 88 -6.549 8.134 0.149 1.00 0.37 H new ATOM 0 HB3 LEU A 88 -5.371 7.457 -0.957 1.00 0.37 H new ATOM 0 HG LEU A 88 -4.688 9.118 1.459 1.00 0.42 H new ATOM 0 HD11 LEU A 88 -4.009 6.973 2.494 1.00 0.56 H new ATOM 0 HD12 LEU A 88 -5.750 7.016 2.128 1.00 0.56 H new ATOM 0 HD13 LEU A 88 -4.642 6.103 1.076 1.00 0.56 H new ATOM 0 HD21 LEU A 88 -2.412 8.235 1.149 1.00 0.48 H new ATOM 0 HD22 LEU A 88 -2.940 7.422 -0.343 1.00 0.48 H new ATOM 0 HD23 LEU A 88 -2.957 9.199 -0.245 1.00 0.48 H new ATOM 926 N ASN A 89 -3.958 10.487 -2.617 1.00 0.32 N ATOM 927 CA ASN A 89 -3.033 10.451 -3.726 1.00 0.34 C ATOM 928 C ASN A 89 -1.799 11.282 -3.392 1.00 0.40 C ATOM 929 O ASN A 89 -1.840 12.511 -3.427 1.00 0.50 O ATOM 930 CB ASN A 89 -3.737 10.939 -5.002 1.00 0.41 C ATOM 931 CG ASN A 89 -2.782 11.141 -6.168 1.00 1.12 C ATOM 932 OD1 ASN A 89 -2.433 10.198 -6.879 1.00 2.01 O ATOM 933 ND2 ASN A 89 -2.370 12.380 -6.384 1.00 1.62 N ATOM 0 H ASN A 89 -4.035 11.395 -2.159 1.00 0.32 H new ATOM 0 HA ASN A 89 -2.700 9.429 -3.906 1.00 0.34 H new ATOM 0 HB2 ASN A 89 -4.502 10.217 -5.287 1.00 0.41 H new ATOM 0 HB3 ASN A 89 -4.248 11.878 -4.792 1.00 0.41 H new ATOM 0 HD21 ASN A 89 -1.741 12.580 -7.162 1.00 1.62 H new ATOM 0 HD22 ASN A 89 -2.681 13.135 -5.773 1.00 1.62 H new ATOM 940 N THR A 90 -0.711 10.607 -3.016 1.00 0.39 N ATOM 941 CA THR A 90 0.499 11.289 -2.593 1.00 0.50 C ATOM 942 C THR A 90 1.725 10.611 -3.198 1.00 0.55 C ATOM 943 O THR A 90 1.695 9.416 -3.506 1.00 0.69 O ATOM 944 CB THR A 90 0.600 11.290 -1.267 1.00 0.68 C ATOM 945 OG1 THR A 90 -0.670 11.622 -0.685 1.00 1.67 O ATOM 946 CG2 THR A 90 1.646 12.275 -0.768 1.00 1.22 C ATOM 0 H THR A 90 -0.650 9.589 -2.998 1.00 0.39 H new ATOM 0 HA THR A 90 0.447 12.320 -2.942 1.00 0.50 H new ATOM 0 HB THR A 90 0.911 10.289 -0.966 1.00 0.68 H new ATOM 0 HG1 THR A 90 -0.593 11.620 0.292 1.00 1.67 H new ATOM 0 HG21 THR A 90 1.690 12.238 0.320 1.00 1.22 H new ATOM 0 HG22 THR A 90 2.620 12.011 -1.180 1.00 1.22 H new ATOM 0 HG23 THR A 90 1.378 13.282 -1.086 1.00 1.22 H new ATOM 954 N MET A 91 2.762 11.396 -3.443 1.00 0.72 N ATOM 955 CA MET A 91 4.030 10.877 -3.928 1.00 1.00 C ATOM 956 C MET A 91 5.176 11.493 -3.140 1.00 0.88 C ATOM 957 O MET A 91 5.259 12.712 -2.991 1.00 0.92 O ATOM 958 CB MET A 91 4.196 11.147 -5.425 1.00 1.53 C ATOM 959 CG MET A 91 3.913 12.587 -5.824 1.00 2.33 C ATOM 960 SD MET A 91 3.979 12.845 -7.606 1.00 3.24 S ATOM 961 CE MET A 91 3.600 14.595 -7.699 1.00 3.94 C ATOM 0 H MET A 91 2.748 12.407 -3.312 1.00 0.72 H new ATOM 0 HA MET A 91 4.042 9.797 -3.782 1.00 1.00 H new ATOM 0 HB2 MET A 91 5.214 10.891 -5.720 1.00 1.53 H new ATOM 0 HB3 MET A 91 3.528 10.488 -5.980 1.00 1.53 H new ATOM 0 HG2 MET A 91 2.928 12.874 -5.456 1.00 2.33 H new ATOM 0 HG3 MET A 91 4.637 13.242 -5.340 1.00 2.33 H new ATOM 0 HE1 MET A 91 3.602 14.913 -8.742 1.00 3.94 H new ATOM 0 HE2 MET A 91 2.617 14.778 -7.266 1.00 3.94 H new ATOM 0 HE3 MET A 91 4.351 15.160 -7.146 1.00 3.94 H new ATOM 971 N PHE A 92 6.051 10.643 -2.631 1.00 0.98 N ATOM 972 CA PHE A 92 7.122 11.084 -1.753 1.00 1.01 C ATOM 973 C PHE A 92 8.210 10.019 -1.685 1.00 0.90 C ATOM 974 O PHE A 92 7.948 8.842 -1.919 1.00 0.85 O ATOM 975 CB PHE A 92 6.553 11.363 -0.355 1.00 1.24 C ATOM 976 CG PHE A 92 7.528 11.983 0.605 1.00 1.49 C ATOM 977 CD1 PHE A 92 7.902 13.310 0.471 1.00 1.94 C ATOM 978 CD2 PHE A 92 8.062 11.243 1.648 1.00 1.58 C ATOM 979 CE1 PHE A 92 8.790 13.887 1.358 1.00 2.47 C ATOM 980 CE2 PHE A 92 8.952 11.814 2.535 1.00 2.01 C ATOM 981 CZ PHE A 92 9.317 13.137 2.391 1.00 2.46 C ATOM 0 H PHE A 92 6.041 9.639 -2.811 1.00 0.98 H new ATOM 0 HA PHE A 92 7.562 12.001 -2.146 1.00 1.01 H new ATOM 0 HB2 PHE A 92 5.691 12.022 -0.453 1.00 1.24 H new ATOM 0 HB3 PHE A 92 6.191 10.426 0.069 1.00 1.24 H new ATOM 0 HD1 PHE A 92 7.495 13.900 -0.336 1.00 1.94 H new ATOM 0 HD2 PHE A 92 7.779 10.208 1.768 1.00 1.58 H new ATOM 0 HE1 PHE A 92 9.072 14.923 1.244 1.00 2.47 H new ATOM 0 HE2 PHE A 92 9.363 11.225 3.342 1.00 2.01 H new ATOM 0 HZ PHE A 92 10.013 13.585 3.085 1.00 2.46 H new ATOM 991 N GLU A 93 9.429 10.433 -1.397 1.00 0.98 N ATOM 992 CA GLU A 93 10.526 9.494 -1.232 1.00 0.97 C ATOM 993 C GLU A 93 10.953 9.456 0.230 1.00 1.21 C ATOM 994 O GLU A 93 11.483 10.446 0.747 1.00 1.50 O ATOM 995 CB GLU A 93 11.715 9.902 -2.102 1.00 1.18 C ATOM 996 CG GLU A 93 11.383 10.024 -3.575 1.00 1.33 C ATOM 997 CD GLU A 93 12.570 10.489 -4.389 1.00 1.57 C ATOM 998 OE1 GLU A 93 13.451 9.657 -4.690 1.00 1.97 O ATOM 999 OE2 GLU A 93 12.636 11.692 -4.716 1.00 1.92 O ATOM 0 H GLU A 93 9.686 11.412 -1.272 1.00 0.98 H new ATOM 0 HA GLU A 93 10.188 8.505 -1.541 1.00 0.97 H new ATOM 0 HB2 GLU A 93 12.102 10.857 -1.746 1.00 1.18 H new ATOM 0 HB3 GLU A 93 12.512 9.169 -1.978 1.00 1.18 H new ATOM 0 HG2 GLU A 93 11.042 9.059 -3.950 1.00 1.33 H new ATOM 0 HG3 GLU A 93 10.559 10.725 -3.704 1.00 1.33 H new ATOM 1006 N TYR A 94 10.719 8.333 0.901 1.00 1.23 N ATOM 1007 CA TYR A 94 11.045 8.233 2.318 1.00 1.60 C ATOM 1008 C TYR A 94 11.819 6.957 2.622 1.00 1.67 C ATOM 1009 O TYR A 94 11.820 6.008 1.833 1.00 1.62 O ATOM 1010 CB TYR A 94 9.777 8.301 3.179 1.00 1.88 C ATOM 1011 CG TYR A 94 8.848 7.113 3.027 1.00 2.23 C ATOM 1012 CD1 TYR A 94 8.847 6.084 3.962 1.00 2.63 C ATOM 1013 CD2 TYR A 94 7.971 7.024 1.954 1.00 2.62 C ATOM 1014 CE1 TYR A 94 8.000 5.001 3.832 1.00 3.18 C ATOM 1015 CE2 TYR A 94 7.123 5.944 1.819 1.00 3.33 C ATOM 1016 CZ TYR A 94 7.139 4.936 2.756 1.00 3.51 C ATOM 1017 OH TYR A 94 6.292 3.860 2.618 1.00 4.29 O ATOM 0 H TYR A 94 10.311 7.491 0.494 1.00 1.23 H new ATOM 0 HA TYR A 94 11.681 9.083 2.566 1.00 1.60 H new ATOM 0 HB2 TYR A 94 10.068 8.386 4.226 1.00 1.88 H new ATOM 0 HB3 TYR A 94 9.229 9.209 2.925 1.00 1.88 H new ATOM 0 HD1 TYR A 94 9.521 6.132 4.805 1.00 2.63 H new ATOM 0 HD2 TYR A 94 7.952 7.811 1.215 1.00 2.62 H new ATOM 0 HE1 TYR A 94 8.012 4.210 4.568 1.00 3.18 H new ATOM 0 HE2 TYR A 94 6.447 5.890 0.978 1.00 3.33 H new ATOM 0 HH TYR A 94 5.475 4.144 2.157 1.00 4.29 H new ATOM 1170 N LYS A 104 15.566 3.940 0.759 1.00 1.52 N ATOM 1171 CA LYS A 104 14.690 5.013 0.343 1.00 1.37 C ATOM 1172 C LYS A 104 13.819 4.566 -0.815 1.00 1.18 C ATOM 1173 O LYS A 104 14.327 4.192 -1.883 1.00 1.26 O ATOM 1174 CB LYS A 104 15.517 6.228 -0.075 1.00 1.53 C ATOM 1175 CG LYS A 104 14.691 7.461 -0.403 1.00 1.64 C ATOM 1176 CD LYS A 104 15.555 8.610 -0.913 1.00 2.24 C ATOM 1177 CE LYS A 104 16.438 9.216 0.178 1.00 2.60 C ATOM 1178 NZ LYS A 104 17.537 8.304 0.603 1.00 3.12 N ATOM 0 HA LYS A 104 14.049 5.283 1.182 1.00 1.37 H new ATOM 0 HB2 LYS A 104 16.213 6.473 0.727 1.00 1.53 H new ATOM 0 HB3 LYS A 104 16.116 5.963 -0.946 1.00 1.53 H new ATOM 0 HG2 LYS A 104 13.944 7.207 -1.156 1.00 1.64 H new ATOM 0 HG3 LYS A 104 14.150 7.782 0.487 1.00 1.64 H new ATOM 0 HD2 LYS A 104 16.185 8.251 -1.727 1.00 2.24 H new ATOM 0 HD3 LYS A 104 14.912 9.387 -1.327 1.00 2.24 H new ATOM 0 HE2 LYS A 104 16.867 10.150 -0.185 1.00 2.60 H new ATOM 0 HE3 LYS A 104 15.822 9.463 1.043 1.00 2.60 H new ATOM 0 HZ1 LYS A 104 18.411 8.852 0.736 1.00 3.12 H new ATOM 0 HZ2 LYS A 104 17.278 7.843 1.498 1.00 3.12 H new ATOM 0 HZ3 LYS A 104 17.690 7.580 -0.128 1.00 3.12 H new ATOM 1192 N VAL A 105 12.514 4.597 -0.602 1.00 1.04 N ATOM 1193 CA VAL A 105 11.577 4.243 -1.641 1.00 0.90 C ATOM 1194 C VAL A 105 10.827 5.459 -2.144 1.00 0.72 C ATOM 1195 O VAL A 105 10.783 6.500 -1.488 1.00 0.75 O ATOM 1196 CB VAL A 105 10.706 3.329 -1.251 1.00 1.00 C ATOM 1197 CG1 VAL A 105 11.399 1.990 -1.037 1.00 1.23 C ATOM 1198 CG2 VAL A 105 9.962 3.759 0.008 1.00 1.11 C ATOM 0 H VAL A 105 12.085 4.865 0.284 1.00 1.04 H new ATOM 0 HA VAL A 105 12.175 3.821 -2.449 1.00 0.90 H new ATOM 0 HB VAL A 105 9.966 3.217 -2.044 1.00 1.00 H new ATOM 0 HG11 VAL A 105 10.667 1.249 -0.716 1.00 1.23 H new ATOM 0 HG12 VAL A 105 11.859 1.665 -1.970 1.00 1.23 H new ATOM 0 HG13 VAL A 105 12.167 2.096 -0.271 1.00 1.23 H new ATOM 0 HG21 VAL A 105 9.255 2.981 0.297 1.00 1.11 H new ATOM 0 HG22 VAL A 105 10.676 3.918 0.816 1.00 1.11 H new ATOM 0 HG23 VAL A 105 9.422 4.685 -0.187 1.00 1.11 H new ATOM 1208 N LYS A 106 10.284 5.329 -3.334 1.00 0.64 N ATOM 1209 CA LYS A 106 9.455 6.365 -3.911 1.00 0.59 C ATOM 1210 C LYS A 106 8.025 5.868 -3.911 1.00 0.53 C ATOM 1211 O LYS A 106 7.708 4.897 -4.601 1.00 0.68 O ATOM 1212 CB LYS A 106 9.871 6.697 -5.355 1.00 0.79 C ATOM 1213 CG LYS A 106 11.319 7.142 -5.536 1.00 1.39 C ATOM 1214 CD LYS A 106 12.270 5.960 -5.643 1.00 1.61 C ATOM 1215 CE LYS A 106 13.634 6.371 -6.177 1.00 2.08 C ATOM 1216 NZ LYS A 106 14.357 7.291 -5.260 1.00 2.36 N ATOM 0 H LYS A 106 10.403 4.507 -3.927 1.00 0.64 H new ATOM 0 HA LYS A 106 9.566 7.274 -3.319 1.00 0.59 H new ATOM 0 HB2 LYS A 106 9.699 5.817 -5.975 1.00 0.79 H new ATOM 0 HB3 LYS A 106 9.218 7.484 -5.731 1.00 0.79 H new ATOM 0 HG2 LYS A 106 11.400 7.755 -6.434 1.00 1.39 H new ATOM 0 HG3 LYS A 106 11.613 7.769 -4.694 1.00 1.39 H new ATOM 0 HD2 LYS A 106 12.389 5.500 -4.662 1.00 1.61 H new ATOM 0 HD3 LYS A 106 11.837 5.205 -6.299 1.00 1.61 H new ATOM 0 HE2 LYS A 106 14.239 5.479 -6.341 1.00 2.08 H new ATOM 0 HE3 LYS A 106 13.509 6.855 -7.146 1.00 2.08 H new ATOM 0 HZ1 LYS A 106 15.373 7.274 -5.481 1.00 2.36 H new ATOM 0 HZ2 LYS A 106 13.993 8.258 -5.380 1.00 2.36 H new ATOM 0 HZ3 LYS A 106 14.211 6.986 -4.276 1.00 2.36 H new ATOM 1230 N VAL A 107 7.165 6.496 -3.128 1.00 0.47 N ATOM 1231 CA VAL A 107 5.790 6.041 -3.054 1.00 0.49 C ATOM 1232 C VAL A 107 4.871 6.880 -3.892 1.00 0.45 C ATOM 1233 O VAL A 107 5.091 8.074 -4.091 1.00 0.74 O ATOM 1234 CB VAL A 107 5.287 5.982 -1.826 1.00 0.60 C ATOM 1235 CG1 VAL A 107 5.809 4.749 -1.103 1.00 0.99 C ATOM 1236 CG2 VAL A 107 5.574 7.242 -1.022 1.00 1.11 C ATOM 0 H VAL A 107 7.388 7.304 -2.547 1.00 0.47 H new ATOM 0 HA VAL A 107 5.843 5.023 -3.441 1.00 0.49 H new ATOM 0 HB VAL A 107 4.204 5.908 -1.920 1.00 0.60 H new ATOM 0 HG11 VAL A 107 5.390 4.712 -0.098 1.00 0.99 H new ATOM 0 HG12 VAL A 107 5.516 3.854 -1.652 1.00 0.99 H new ATOM 0 HG13 VAL A 107 6.896 4.797 -1.041 1.00 0.99 H new ATOM 0 HG21 VAL A 107 5.142 7.144 -0.026 1.00 1.11 H new ATOM 0 HG22 VAL A 107 6.652 7.383 -0.938 1.00 1.11 H new ATOM 0 HG23 VAL A 107 5.134 8.103 -1.525 1.00 1.11 H new ATOM 1246 N HIS A 108 3.893 6.213 -4.454 1.00 0.30 N ATOM 1247 CA HIS A 108 2.748 6.875 -5.005 1.00 0.31 C ATOM 1248 C HIS A 108 1.524 6.104 -4.569 1.00 0.28 C ATOM 1249 O HIS A 108 1.206 5.048 -5.109 1.00 0.31 O ATOM 1250 CB HIS A 108 2.834 6.954 -6.535 1.00 0.43 C ATOM 1251 CG HIS A 108 1.702 7.710 -7.173 1.00 0.56 C ATOM 1252 ND1 HIS A 108 1.339 7.545 -8.492 1.00 0.94 N ATOM 1253 CD2 HIS A 108 0.855 8.643 -6.669 1.00 0.71 C ATOM 1254 CE1 HIS A 108 0.320 8.337 -8.772 1.00 1.01 C ATOM 1255 NE2 HIS A 108 0.005 9.014 -7.682 1.00 0.80 N ATOM 0 H HIS A 108 3.873 5.197 -4.540 1.00 0.30 H new ATOM 0 HA HIS A 108 2.698 7.902 -4.644 1.00 0.31 H new ATOM 0 HB2 HIS A 108 3.776 7.428 -6.812 1.00 0.43 H new ATOM 0 HB3 HIS A 108 2.856 5.942 -6.940 1.00 0.43 H new ATOM 0 HD2 HIS A 108 0.850 9.023 -5.658 1.00 0.71 H new ATOM 0 HE1 HIS A 108 -0.172 8.418 -9.730 1.00 1.01 H new ATOM 0 HE2 HIS A 108 -0.746 9.700 -7.605 1.00 0.80 H new ATOM 1264 N MET A 109 0.849 6.638 -3.582 1.00 0.31 N ATOM 1265 CA MET A 109 -0.382 6.057 -3.097 1.00 0.33 C ATOM 1266 C MET A 109 -1.495 6.864 -3.691 1.00 0.37 C ATOM 1267 O MET A 109 -1.581 8.054 -3.424 1.00 0.55 O ATOM 1268 CB MET A 109 -0.438 6.101 -1.568 1.00 0.43 C ATOM 1269 CG MET A 109 0.705 5.355 -0.897 1.00 0.77 C ATOM 1270 SD MET A 109 0.710 5.534 0.899 1.00 1.28 S ATOM 1271 CE MET A 109 2.190 4.615 1.317 1.00 2.22 C ATOM 0 H MET A 109 1.135 7.486 -3.092 1.00 0.31 H new ATOM 0 HA MET A 109 -0.460 5.009 -3.385 1.00 0.33 H new ATOM 0 HB2 MET A 109 -0.424 7.141 -1.242 1.00 0.43 H new ATOM 0 HB3 MET A 109 -1.384 5.675 -1.235 1.00 0.43 H new ATOM 0 HG2 MET A 109 0.639 4.297 -1.150 1.00 0.77 H new ATOM 0 HG3 MET A 109 1.652 5.719 -1.295 1.00 0.77 H new ATOM 0 HE1 MET A 109 2.335 4.630 2.397 1.00 2.22 H new ATOM 0 HE2 MET A 109 2.085 3.584 0.980 1.00 2.22 H new ATOM 0 HE3 MET A 109 3.051 5.071 0.829 1.00 2.22 H new ATOM 1281 N LYS A 110 -2.320 6.257 -4.518 1.00 0.27 N ATOM 1282 CA LYS A 110 -3.239 7.045 -5.299 1.00 0.30 C ATOM 1283 C LYS A 110 -4.629 6.482 -5.224 1.00 0.24 C ATOM 1284 O LYS A 110 -4.830 5.277 -5.299 1.00 0.24 O ATOM 1285 CB LYS A 110 -2.791 7.138 -6.764 1.00 0.43 C ATOM 1286 CG LYS A 110 -2.900 5.836 -7.542 1.00 0.64 C ATOM 1287 CD LYS A 110 -2.688 6.059 -9.030 1.00 0.78 C ATOM 1288 CE LYS A 110 -2.945 4.792 -9.828 1.00 1.38 C ATOM 1289 NZ LYS A 110 -2.747 5.004 -11.283 1.00 1.73 N ATOM 0 H LYS A 110 -2.372 5.249 -4.663 1.00 0.27 H new ATOM 0 HA LYS A 110 -3.244 8.050 -4.876 1.00 0.30 H new ATOM 0 HB2 LYS A 110 -3.390 7.898 -7.266 1.00 0.43 H new ATOM 0 HB3 LYS A 110 -1.756 7.478 -6.793 1.00 0.43 H new ATOM 0 HG2 LYS A 110 -2.162 5.126 -7.170 1.00 0.64 H new ATOM 0 HG3 LYS A 110 -3.881 5.392 -7.375 1.00 0.64 H new ATOM 0 HD2 LYS A 110 -3.352 6.850 -9.378 1.00 0.78 H new ATOM 0 HD3 LYS A 110 -1.668 6.400 -9.206 1.00 0.78 H new ATOM 0 HE2 LYS A 110 -2.277 4.003 -9.482 1.00 1.38 H new ATOM 0 HE3 LYS A 110 -3.964 4.449 -9.647 1.00 1.38 H new ATOM 0 HZ1 LYS A 110 -2.932 4.116 -11.792 1.00 1.73 H new ATOM 0 HZ2 LYS A 110 -3.402 5.738 -11.619 1.00 1.73 H new ATOM 0 HZ3 LYS A 110 -1.768 5.306 -11.460 1.00 1.73 H new ATOM 1303 N LYS A 111 -5.576 7.364 -5.064 1.00 0.23 N ATOM 1304 CA LYS A 111 -6.948 7.012 -5.175 1.00 0.22 C ATOM 1305 C LYS A 111 -7.225 6.360 -6.520 1.00 0.22 C ATOM 1306 O LYS A 111 -6.983 6.951 -7.573 1.00 0.29 O ATOM 1307 CB LYS A 111 -7.731 8.289 -5.028 1.00 0.28 C ATOM 1308 CG LYS A 111 -9.206 8.155 -5.339 1.00 0.35 C ATOM 1309 CD LYS A 111 -9.805 9.507 -5.657 1.00 0.53 C ATOM 1310 CE LYS A 111 -11.286 9.398 -5.983 1.00 0.91 C ATOM 1311 NZ LYS A 111 -11.519 8.604 -7.222 1.00 1.78 N ATOM 0 H LYS A 111 -5.409 8.348 -4.853 1.00 0.23 H new ATOM 0 HA LYS A 111 -7.232 6.291 -4.409 1.00 0.22 H new ATOM 0 HB2 LYS A 111 -7.619 8.655 -4.007 1.00 0.28 H new ATOM 0 HB3 LYS A 111 -7.300 9.043 -5.686 1.00 0.28 H new ATOM 0 HG2 LYS A 111 -9.346 7.481 -6.184 1.00 0.35 H new ATOM 0 HG3 LYS A 111 -9.724 7.712 -4.489 1.00 0.35 H new ATOM 0 HD2 LYS A 111 -9.667 10.176 -4.808 1.00 0.53 H new ATOM 0 HD3 LYS A 111 -9.277 9.950 -6.501 1.00 0.53 H new ATOM 0 HE2 LYS A 111 -11.809 8.932 -5.148 1.00 0.91 H new ATOM 0 HE3 LYS A 111 -11.706 10.396 -6.106 1.00 0.91 H new ATOM 0 HZ1 LYS A 111 -12.507 8.718 -7.527 1.00 1.78 H new ATOM 0 HZ2 LYS A 111 -10.884 8.939 -7.974 1.00 1.78 H new ATOM 0 HZ3 LYS A 111 -11.330 7.599 -7.031 1.00 1.78 H new ATOM 1325 N ALA A 112 -7.692 5.117 -6.459 1.00 0.22 N ATOM 1326 CA ALA A 112 -8.003 4.345 -7.648 1.00 0.26 C ATOM 1327 C ALA A 112 -8.959 5.122 -8.543 1.00 0.38 C ATOM 1328 O ALA A 112 -9.813 5.869 -8.047 1.00 0.45 O ATOM 1329 CB ALA A 112 -8.602 2.999 -7.274 1.00 0.33 C ATOM 0 H ALA A 112 -7.864 4.621 -5.584 1.00 0.22 H new ATOM 0 HA ALA A 112 -7.078 4.165 -8.195 1.00 0.26 H new ATOM 0 HB1 ALA A 112 -8.828 2.437 -8.180 1.00 0.33 H new ATOM 0 HB2 ALA A 112 -7.890 2.440 -6.668 1.00 0.33 H new ATOM 0 HB3 ALA A 112 -9.519 3.154 -6.706 1.00 0.33 H new ATOM 1335 N LEU A 113 -8.824 4.944 -9.850 1.00 0.47 N ATOM 1336 CA LEU A 113 -9.607 5.713 -10.806 1.00 0.64 C ATOM 1337 C LEU A 113 -11.099 5.439 -10.628 1.00 0.76 C ATOM 1338 O LEU A 113 -11.936 6.279 -10.957 1.00 0.96 O ATOM 1339 CB LEU A 113 -9.176 5.373 -12.237 1.00 0.76 C ATOM 1340 CG LEU A 113 -9.686 6.327 -13.318 1.00 1.55 C ATOM 1341 CD1 LEU A 113 -9.087 7.711 -13.128 1.00 2.27 C ATOM 1342 CD2 LEU A 113 -9.363 5.789 -14.704 1.00 2.39 C ATOM 0 H LEU A 113 -8.180 4.275 -10.272 1.00 0.47 H new ATOM 0 HA LEU A 113 -9.427 6.772 -10.623 1.00 0.64 H new ATOM 0 HB2 LEU A 113 -8.087 5.355 -12.276 1.00 0.76 H new ATOM 0 HB3 LEU A 113 -9.520 4.366 -12.473 1.00 0.76 H new ATOM 0 HG LEU A 113 -10.769 6.404 -13.227 1.00 1.55 H new ATOM 0 HD11 LEU A 113 -9.460 8.379 -13.905 1.00 2.27 H new ATOM 0 HD12 LEU A 113 -9.371 8.099 -12.150 1.00 2.27 H new ATOM 0 HD13 LEU A 113 -8.001 7.649 -13.193 1.00 2.27 H new ATOM 0 HD21 LEU A 113 -9.734 6.482 -15.459 1.00 2.39 H new ATOM 0 HD22 LEU A 113 -8.284 5.681 -14.810 1.00 2.39 H new ATOM 0 HD23 LEU A 113 -9.840 4.818 -14.838 1.00 2.39 H new ATOM 1354 N SER A 114 -11.423 4.272 -10.089 1.00 0.73 N ATOM 1355 CA SER A 114 -12.805 3.914 -9.816 1.00 0.92 C ATOM 1356 C SER A 114 -13.315 4.634 -8.563 1.00 0.93 C ATOM 1357 O SER A 114 -14.178 5.507 -8.650 1.00 1.27 O ATOM 1358 CB SER A 114 -12.918 2.399 -9.660 1.00 1.04 C ATOM 1359 OG SER A 114 -12.310 1.742 -10.760 1.00 1.66 O ATOM 0 H SER A 114 -10.744 3.556 -9.832 1.00 0.73 H new ATOM 0 HA SER A 114 -13.427 4.230 -10.653 1.00 0.92 H new ATOM 0 HB2 SER A 114 -12.440 2.086 -8.732 1.00 1.04 H new ATOM 0 HB3 SER A 114 -13.967 2.111 -9.591 1.00 1.04 H new ATOM 0 HG SER A 114 -12.388 0.772 -10.646 1.00 1.66 H new ATOM 1365 N GLY A 115 -12.767 4.277 -7.402 1.00 0.71 N ATOM 1366 CA GLY A 115 -13.169 4.921 -6.166 1.00 0.79 C ATOM 1367 C GLY A 115 -13.193 3.961 -4.995 1.00 0.78 C ATOM 1368 O GLY A 115 -13.193 2.741 -5.188 1.00 1.52 O ATOM 0 H GLY A 115 -12.054 3.555 -7.298 1.00 0.71 H new ATOM 0 HA2 GLY A 115 -12.484 5.740 -5.947 1.00 0.79 H new ATOM 0 HA3 GLY A 115 -14.159 5.359 -6.293 1.00 0.79 H new ATOM 1372 N ASP A 116 -13.181 4.521 -3.785 1.00 0.72 N ATOM 1373 CA ASP A 116 -13.252 3.749 -2.536 1.00 0.85 C ATOM 1374 C ASP A 116 -12.156 2.690 -2.485 1.00 0.80 C ATOM 1375 O ASP A 116 -12.332 1.582 -1.981 1.00 1.40 O ATOM 1376 CB ASP A 116 -14.638 3.120 -2.364 1.00 1.25 C ATOM 1377 CG ASP A 116 -14.875 2.609 -0.956 1.00 2.10 C ATOM 1378 OD1 ASP A 116 -15.112 1.391 -0.791 1.00 2.63 O ATOM 1379 OD2 ASP A 116 -14.801 3.414 -0.005 1.00 2.79 O ATOM 0 H ASP A 116 -13.121 5.529 -3.639 1.00 0.72 H new ATOM 0 HA ASP A 116 -13.089 4.434 -1.704 1.00 0.85 H new ATOM 0 HB2 ASP A 116 -15.401 3.858 -2.612 1.00 1.25 H new ATOM 0 HB3 ASP A 116 -14.749 2.296 -3.069 1.00 1.25 H new ATOM 1384 N SER A 117 -11.010 3.072 -2.999 1.00 0.42 N ATOM 1385 CA SER A 117 -9.837 2.224 -3.043 1.00 0.29 C ATOM 1386 C SER A 117 -8.632 3.068 -3.416 1.00 0.22 C ATOM 1387 O SER A 117 -8.766 4.078 -4.112 1.00 0.25 O ATOM 1388 CB SER A 117 -10.023 1.088 -4.038 1.00 0.34 C ATOM 1389 OG SER A 117 -10.612 1.544 -5.248 1.00 0.44 O ATOM 0 H SER A 117 -10.862 3.996 -3.406 1.00 0.42 H new ATOM 0 HA SER A 117 -9.681 1.778 -2.061 1.00 0.29 H new ATOM 0 HB2 SER A 117 -9.058 0.630 -4.253 1.00 0.34 H new ATOM 0 HB3 SER A 117 -10.651 0.315 -3.595 1.00 0.34 H new ATOM 0 HG SER A 117 -11.546 1.793 -5.084 1.00 0.44 H new ATOM 1395 N TYR A 118 -7.469 2.674 -2.945 1.00 0.19 N ATOM 1396 CA TYR A 118 -6.257 3.464 -3.137 1.00 0.19 C ATOM 1397 C TYR A 118 -5.064 2.552 -3.402 1.00 0.20 C ATOM 1398 O TYR A 118 -4.960 1.472 -2.826 1.00 0.25 O ATOM 1399 CB TYR A 118 -6.003 4.348 -1.904 1.00 0.22 C ATOM 1400 CG TYR A 118 -7.192 5.184 -1.512 1.00 0.23 C ATOM 1401 CD1 TYR A 118 -8.062 4.755 -0.531 1.00 0.30 C ATOM 1402 CD2 TYR A 118 -7.452 6.386 -2.143 1.00 0.25 C ATOM 1403 CE1 TYR A 118 -9.173 5.503 -0.185 1.00 0.35 C ATOM 1404 CE2 TYR A 118 -8.554 7.145 -1.804 1.00 0.30 C ATOM 1405 CZ TYR A 118 -9.414 6.700 -0.828 1.00 0.34 C ATOM 1406 OH TYR A 118 -10.519 7.451 -0.502 1.00 0.42 O ATOM 0 H TYR A 118 -7.330 1.809 -2.423 1.00 0.19 H new ATOM 0 HA TYR A 118 -6.391 4.110 -4.005 1.00 0.19 H new ATOM 0 HB2 TYR A 118 -5.721 3.714 -1.063 1.00 0.22 H new ATOM 0 HB3 TYR A 118 -5.157 5.005 -2.105 1.00 0.22 H new ATOM 0 HD1 TYR A 118 -7.873 3.820 -0.025 1.00 0.30 H new ATOM 0 HD2 TYR A 118 -6.782 6.737 -2.914 1.00 0.25 H new ATOM 0 HE1 TYR A 118 -9.847 5.153 0.583 1.00 0.35 H new ATOM 0 HE2 TYR A 118 -8.740 8.084 -2.303 1.00 0.30 H new ATOM 0 HH TYR A 118 -10.535 8.264 -1.050 1.00 0.42 H new ATOM 1416 N TRP A 119 -4.184 2.971 -4.297 1.00 0.20 N ATOM 1417 CA TRP A 119 -3.035 2.183 -4.668 1.00 0.22 C ATOM 1418 C TRP A 119 -1.842 2.503 -3.796 1.00 0.25 C ATOM 1419 O TRP A 119 -1.810 3.516 -3.098 1.00 0.27 O ATOM 1420 CB TRP A 119 -2.646 2.477 -6.109 1.00 0.25 C ATOM 1421 CG TRP A 119 -3.618 2.002 -7.127 1.00 0.26 C ATOM 1422 CD1 TRP A 119 -4.867 2.490 -7.377 1.00 0.27 C ATOM 1423 CD2 TRP A 119 -3.400 0.945 -8.050 1.00 0.30 C ATOM 1424 NE1 TRP A 119 -5.449 1.771 -8.399 1.00 0.32 N ATOM 1425 CE2 TRP A 119 -4.560 0.817 -8.827 1.00 0.33 C ATOM 1426 CE3 TRP A 119 -2.329 0.088 -8.285 1.00 0.34 C ATOM 1427 CZ2 TRP A 119 -4.676 -0.147 -9.825 1.00 0.40 C ATOM 1428 CZ3 TRP A 119 -2.438 -0.857 -9.268 1.00 0.40 C ATOM 1429 CH2 TRP A 119 -3.605 -0.975 -10.033 1.00 0.42 C ATOM 0 H TRP A 119 -4.252 3.866 -4.782 1.00 0.20 H new ATOM 0 HA TRP A 119 -3.308 1.135 -4.543 1.00 0.22 H new ATOM 0 HB2 TRP A 119 -2.519 3.553 -6.224 1.00 0.25 H new ATOM 0 HB3 TRP A 119 -1.678 2.018 -6.310 1.00 0.25 H new ATOM 0 HD1 TRP A 119 -5.329 3.314 -6.854 1.00 0.27 H new ATOM 0 HE1 TRP A 119 -6.385 1.923 -8.775 1.00 0.32 H new ATOM 0 HE3 TRP A 119 -1.425 0.168 -7.700 1.00 0.34 H new ATOM 0 HZ2 TRP A 119 -5.577 -0.238 -10.413 1.00 0.40 H new ATOM 0 HZ3 TRP A 119 -1.610 -1.524 -9.457 1.00 0.40 H new ATOM 0 HH2 TRP A 119 -3.662 -1.732 -10.801 1.00 0.42 H new ATOM 1440 N VAL A 120 -0.861 1.628 -3.877 1.00 0.28 N ATOM 1441 CA VAL A 120 0.424 1.805 -3.233 1.00 0.32 C ATOM 1442 C VAL A 120 1.526 1.427 -4.218 1.00 0.34 C ATOM 1443 O VAL A 120 1.864 0.251 -4.373 1.00 0.43 O ATOM 1444 CB VAL A 120 0.542 1.044 -2.149 1.00 0.38 C ATOM 1445 CG1 VAL A 120 1.890 1.282 -1.468 1.00 0.56 C ATOM 1446 CG2 VAL A 120 -0.588 1.274 -1.159 1.00 0.62 C ATOM 0 H VAL A 120 -0.936 0.757 -4.403 1.00 0.28 H new ATOM 0 HA VAL A 120 0.508 2.848 -2.928 1.00 0.32 H new ATOM 0 HB VAL A 120 0.484 0.007 -2.481 1.00 0.38 H new ATOM 0 HG11 VAL A 120 1.967 0.650 -0.583 1.00 0.56 H new ATOM 0 HG12 VAL A 120 2.696 1.037 -2.160 1.00 0.56 H new ATOM 0 HG13 VAL A 120 1.970 2.329 -1.174 1.00 0.56 H new ATOM 0 HG21 VAL A 120 -0.448 0.630 -0.291 1.00 0.62 H new ATOM 0 HG22 VAL A 120 -0.587 2.317 -0.842 1.00 0.62 H new ATOM 0 HG23 VAL A 120 -1.541 1.040 -1.634 1.00 0.62 H new ATOM 1456 N PHE A 121 2.073 2.423 -4.892 1.00 0.34 N ATOM 1457 CA PHE A 121 3.236 2.217 -5.741 1.00 0.42 C ATOM 1458 C PHE A 121 4.489 2.495 -4.924 1.00 0.40 C ATOM 1459 O PHE A 121 4.560 3.513 -4.234 1.00 0.49 O ATOM 1460 CB PHE A 121 3.219 3.143 -6.961 1.00 0.61 C ATOM 1461 CG PHE A 121 2.114 2.875 -7.945 1.00 0.49 C ATOM 1462 CD1 PHE A 121 0.811 3.250 -7.657 1.00 0.52 C ATOM 1463 CD2 PHE A 121 2.373 2.245 -9.150 1.00 0.98 C ATOM 1464 CE1 PHE A 121 -0.211 3.001 -8.553 1.00 0.96 C ATOM 1465 CE2 PHE A 121 1.356 1.996 -10.049 1.00 1.49 C ATOM 1466 CZ PHE A 121 0.082 2.387 -9.777 1.00 1.45 C ATOM 0 H PHE A 121 1.731 3.384 -4.869 1.00 0.34 H new ATOM 0 HA PHE A 121 3.222 1.188 -6.100 1.00 0.42 H new ATOM 0 HB2 PHE A 121 3.136 4.173 -6.615 1.00 0.61 H new ATOM 0 HB3 PHE A 121 4.175 3.056 -7.478 1.00 0.61 H new ATOM 0 HD1 PHE A 121 0.592 3.743 -6.721 1.00 0.52 H new ATOM 0 HD2 PHE A 121 3.382 1.945 -9.389 1.00 0.98 H new ATOM 0 HE1 PHE A 121 -1.227 3.277 -8.311 1.00 0.96 H new ATOM 0 HE2 PHE A 121 1.573 1.487 -10.976 1.00 1.49 H new ATOM 0 HZ PHE A 121 -0.701 2.224 -10.503 1.00 1.45 H new ATOM 1476 N VAL A 122 5.461 1.602 -4.989 1.00 0.49 N ATOM 1477 CA VAL A 122 6.688 1.769 -4.228 1.00 0.61 C ATOM 1478 C VAL A 122 7.888 1.238 -5.016 1.00 0.73 C ATOM 1479 O VAL A 122 7.793 0.217 -5.696 1.00 0.95 O ATOM 1480 CB VAL A 122 6.600 1.190 -3.029 1.00 0.77 C ATOM 1481 CG1 VAL A 122 6.329 -0.310 -3.145 1.00 1.61 C ATOM 1482 CG2 VAL A 122 7.830 1.457 -2.174 1.00 1.52 C ATOM 0 H VAL A 122 5.426 0.757 -5.559 1.00 0.49 H new ATOM 0 HA VAL A 122 6.838 2.836 -4.061 1.00 0.61 H new ATOM 0 HB VAL A 122 5.748 1.645 -2.524 1.00 0.77 H new ATOM 0 HG11 VAL A 122 6.264 -0.746 -2.148 1.00 1.61 H new ATOM 0 HG12 VAL A 122 5.389 -0.470 -3.673 1.00 1.61 H new ATOM 0 HG13 VAL A 122 7.141 -0.785 -3.697 1.00 1.61 H new ATOM 0 HG21 VAL A 122 7.715 0.967 -1.207 1.00 1.52 H new ATOM 0 HG22 VAL A 122 8.714 1.065 -2.676 1.00 1.52 H new ATOM 0 HG23 VAL A 122 7.943 2.531 -2.025 1.00 1.52 H new ATOM 1492 N LYS A 123 8.989 1.990 -4.995 1.00 0.76 N ATOM 1493 CA LYS A 123 10.190 1.618 -5.728 1.00 0.97 C ATOM 1494 C LYS A 123 11.423 2.043 -4.948 1.00 1.04 C ATOM 1495 O LYS A 123 11.491 3.171 -4.469 1.00 1.02 O ATOM 1496 CB LYS A 123 10.201 2.281 -7.112 1.00 1.11 C ATOM 1497 CG LYS A 123 8.972 1.975 -7.951 1.00 1.66 C ATOM 1498 CD LYS A 123 8.996 2.710 -9.276 1.00 2.03 C ATOM 1499 CE LYS A 123 7.688 2.525 -10.024 1.00 2.74 C ATOM 1500 NZ LYS A 123 7.742 3.109 -11.388 1.00 3.45 N ATOM 0 H LYS A 123 9.069 2.864 -4.474 1.00 0.76 H new ATOM 0 HA LYS A 123 10.197 0.536 -5.857 1.00 0.97 H new ATOM 0 HB2 LYS A 123 10.283 3.361 -6.986 1.00 1.11 H new ATOM 0 HB3 LYS A 123 11.089 1.955 -7.653 1.00 1.11 H new ATOM 0 HG2 LYS A 123 8.914 0.902 -8.132 1.00 1.66 H new ATOM 0 HG3 LYS A 123 8.076 2.254 -7.397 1.00 1.66 H new ATOM 0 HD2 LYS A 123 9.174 3.772 -9.104 1.00 2.03 H new ATOM 0 HD3 LYS A 123 9.822 2.343 -9.885 1.00 2.03 H new ATOM 0 HE2 LYS A 123 7.457 1.462 -10.093 1.00 2.74 H new ATOM 0 HE3 LYS A 123 6.879 2.991 -9.461 1.00 2.74 H new ATOM 0 HZ1 LYS A 123 6.830 2.962 -11.865 1.00 3.45 H new ATOM 0 HZ2 LYS A 123 7.937 4.128 -11.322 1.00 3.45 H new ATOM 0 HZ3 LYS A 123 8.497 2.647 -11.934 1.00 3.45 H new