USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1249 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 140 MET CE :methyl -135:sc= -2.76! (180deg=-5.38!) USER MOD Set 1.2: A 144 MET CE :methyl 178:sc= -0.815 (180deg=-0.649) USER MOD Set 2.1: A 101 TYR OH : rot -30:sc= 0.155 USER MOD Set 2.2: A 132 SER OG : rot 131:sc= 0.938 USER MOD Set 3.1: A 68 SER OG : rot 20:sc= 0.0872 USER MOD Set 3.2: A 71 CYS SG : rot -32:sc= 0.0745 USER MOD Set 4.1: A 58 ASN : amide:sc= -0.268 K(o=0.87,f=-1.5) USER MOD Set 4.2: A 61 SER OG : rot -124:sc= 1.14 USER MOD Single : A 5 LYS NZ :NH3+ 158:sc= -1.59! (180deg=-2.48!) USER MOD Single : A 8 TYR OH : rot 150:sc= -0.136 USER MOD Single : A 13 ASN : amide:sc= -0.0473 X(o=-0.047,f=-0.026) USER MOD Single : A 15 SER OG : rot -40:sc= 0.339 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 64:sc= 1.27 USER MOD Single : A 24 LYS NZ :NH3+ -139:sc= 1.24 (180deg=0.275) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 139:sc= 0.205 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 MET CE :methyl 175:sc= -4.11 (180deg=-4.44) USER MOD Single : A 36 LYS NZ :NH3+ -162:sc= -0.0998 (180deg=-0.435) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -161:sc= -0.052 (180deg=-0.352) USER MOD Single : A 53 ASN : amide:sc= -1.25 K(o=-1.2,f=0) USER MOD Single : A 60 GLN : amide:sc= -0.0596 K(o=-0.06,f=-1.2!) USER MOD Single : A 63 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0025) USER MOD Single : A 64 LYS NZ :NH3+ -154:sc= -0.0352 (180deg=-0.204) USER MOD Single : A 67 TYR OH : rot 150:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.993 K(o=-0.99,f=-0.1) USER MOD Single : A 75 LYS NZ :NH3+ -147:sc= 2.16 (180deg=1.43) USER MOD Single : A 78 LYS NZ :NH3+ -162:sc= -6.62! (180deg=-8.11!) USER MOD Single : A 81 LYS NZ :NH3+ -148:sc= 1.19 (180deg=0.533) USER MOD Single : A 83 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00717) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 88 GLN : amide:sc= -0.933 K(o=-0.93,f=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.0212 X(o=-0.021,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 152:sc= -1 (180deg=-2.45!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -141:sc= 1.02 (180deg=0.197) USER MOD Single : A 109 MET CE :methyl -160:sc= -0.151 (180deg=-0.677) USER MOD Single : A 112 ASN : amide:sc= -0.969 K(o=-0.97,f=-0.0059) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 125 MET CE :methyl -164:sc= -6.41! (180deg=-7.07!) USER MOD Single : A 126 SER OG : rot -84:sc= -0.627 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0.011 USER MOD Single : A 134 SER OG : rot -162:sc= 1.28 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= -0.792 USER MOD Single : A 142 LYS NZ :NH3+ -160:sc= 2.15 (180deg=1.35) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 151 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 SER OG : rot 179:sc= -0.813 USER MOD Single : A 157 SER OG : rot -140:sc= -3.6! USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 5 -12.866 -7.935 -7.340 1.00 0.53 N ATOM 34 CA LYS A 5 -12.753 -8.353 -5.956 1.00 0.46 C ATOM 35 C LYS A 5 -11.401 -7.939 -5.399 1.00 0.34 C ATOM 36 O LYS A 5 -10.357 -8.373 -5.885 1.00 0.39 O ATOM 37 CB LYS A 5 -12.945 -9.864 -5.841 1.00 0.54 C ATOM 38 CG LYS A 5 -13.101 -10.374 -4.412 1.00 0.60 C ATOM 39 CD LYS A 5 -11.761 -10.679 -3.746 1.00 0.89 C ATOM 40 CE LYS A 5 -11.207 -12.047 -4.141 1.00 1.36 C ATOM 41 NZ LYS A 5 -10.822 -12.132 -5.579 1.00 1.61 N ATOM 0 HA LYS A 5 -13.534 -7.865 -5.373 1.00 0.46 H new ATOM 0 HB2 LYS A 5 -13.827 -10.150 -6.414 1.00 0.54 H new ATOM 0 HB3 LYS A 5 -12.091 -10.362 -6.300 1.00 0.54 H new ATOM 0 HG2 LYS A 5 -13.635 -9.630 -3.821 1.00 0.60 H new ATOM 0 HG3 LYS A 5 -13.713 -11.276 -4.417 1.00 0.60 H new ATOM 0 HD2 LYS A 5 -11.041 -9.907 -4.017 1.00 0.89 H new ATOM 0 HD3 LYS A 5 -11.880 -10.638 -2.663 1.00 0.89 H new ATOM 0 HE2 LYS A 5 -10.336 -12.271 -3.525 1.00 1.36 H new ATOM 0 HE3 LYS A 5 -11.955 -12.810 -3.926 1.00 1.36 H new ATOM 0 HZ1 LYS A 5 -10.135 -12.902 -5.710 1.00 1.61 H new ATOM 0 HZ2 LYS A 5 -11.668 -12.321 -6.154 1.00 1.61 H new ATOM 0 HZ3 LYS A 5 -10.394 -11.232 -5.878 1.00 1.61 H new ATOM 55 N GLY A 6 -11.431 -7.099 -4.383 1.00 0.26 N ATOM 56 CA GLY A 6 -10.197 -6.626 -3.782 1.00 0.20 C ATOM 57 C GLY A 6 -10.356 -5.294 -3.086 1.00 0.17 C ATOM 58 O GLY A 6 -11.473 -4.910 -2.728 1.00 0.24 O ATOM 0 H GLY A 6 -12.284 -6.733 -3.960 1.00 0.26 H new ATOM 0 HA2 GLY A 6 -9.841 -7.365 -3.064 1.00 0.20 H new ATOM 0 HA3 GLY A 6 -9.433 -6.538 -4.554 1.00 0.20 H new ATOM 62 N ALA A 7 -9.249 -4.580 -2.920 1.00 0.15 N ATOM 63 CA ALA A 7 -9.246 -3.308 -2.205 1.00 0.14 C ATOM 64 C ALA A 7 -8.634 -2.197 -3.049 1.00 0.14 C ATOM 65 O ALA A 7 -7.824 -2.455 -3.932 1.00 0.18 O ATOM 66 CB ALA A 7 -8.493 -3.442 -0.891 1.00 0.16 C ATOM 0 H ALA A 7 -8.335 -4.863 -3.274 1.00 0.15 H new ATOM 0 HA ALA A 7 -10.282 -3.041 -1.997 1.00 0.14 H new ATOM 0 HB1 ALA A 7 -8.499 -2.485 -0.369 1.00 0.16 H new ATOM 0 HB2 ALA A 7 -8.976 -4.197 -0.271 1.00 0.16 H new ATOM 0 HB3 ALA A 7 -7.464 -3.740 -1.090 1.00 0.16 H new ATOM 72 N TYR A 8 -9.029 -0.964 -2.768 1.00 0.12 N ATOM 73 CA TYR A 8 -8.525 0.199 -3.491 1.00 0.13 C ATOM 74 C TYR A 8 -8.085 1.289 -2.518 1.00 0.12 C ATOM 75 O TYR A 8 -8.763 1.552 -1.526 1.00 0.13 O ATOM 76 CB TYR A 8 -9.602 0.747 -4.437 1.00 0.16 C ATOM 77 CG TYR A 8 -9.619 0.102 -5.810 1.00 0.24 C ATOM 78 CD1 TYR A 8 -8.667 0.414 -6.771 1.00 0.31 C ATOM 79 CD2 TYR A 8 -10.604 -0.800 -6.149 1.00 0.39 C ATOM 80 CE1 TYR A 8 -8.706 -0.160 -8.029 1.00 0.40 C ATOM 81 CE2 TYR A 8 -10.651 -1.383 -7.398 1.00 0.48 C ATOM 82 CZ TYR A 8 -9.701 -1.060 -8.335 1.00 0.45 C ATOM 83 OH TYR A 8 -9.749 -1.634 -9.583 1.00 0.57 O ATOM 0 H TYR A 8 -9.704 -0.740 -2.037 1.00 0.12 H new ATOM 0 HA TYR A 8 -7.662 -0.113 -4.079 1.00 0.13 H new ATOM 0 HB2 TYR A 8 -10.579 0.611 -3.973 1.00 0.16 H new ATOM 0 HB3 TYR A 8 -9.452 1.820 -4.555 1.00 0.16 H new ATOM 0 HD1 TYR A 8 -7.883 1.117 -6.532 1.00 0.31 H new ATOM 0 HD2 TYR A 8 -11.357 -1.057 -5.419 1.00 0.39 H new ATOM 0 HE1 TYR A 8 -7.960 0.097 -8.767 1.00 0.40 H new ATOM 0 HE2 TYR A 8 -11.431 -2.090 -7.638 1.00 0.48 H new ATOM 0 HH TYR A 8 -10.148 -2.527 -9.517 1.00 0.57 H new ATOM 93 N LEU A 9 -6.941 1.897 -2.805 1.00 0.12 N ATOM 94 CA LEU A 9 -6.432 3.017 -2.021 1.00 0.12 C ATOM 95 C LEU A 9 -6.959 4.301 -2.623 1.00 0.11 C ATOM 96 O LEU A 9 -6.695 4.597 -3.781 1.00 0.13 O ATOM 97 CB LEU A 9 -4.897 3.019 -2.026 1.00 0.12 C ATOM 98 CG LEU A 9 -4.189 3.967 -1.035 1.00 0.13 C ATOM 99 CD1 LEU A 9 -4.380 5.429 -1.396 1.00 0.16 C ATOM 100 CD2 LEU A 9 -4.647 3.710 0.389 1.00 0.12 C ATOM 0 H LEU A 9 -6.341 1.629 -3.585 1.00 0.12 H new ATOM 0 HA LEU A 9 -6.765 2.926 -0.987 1.00 0.12 H new ATOM 0 HB2 LEU A 9 -4.557 2.003 -1.823 1.00 0.12 H new ATOM 0 HB3 LEU A 9 -4.563 3.272 -3.032 1.00 0.12 H new ATOM 0 HG LEU A 9 -3.123 3.751 -1.105 1.00 0.13 H new ATOM 0 HD11 LEU A 9 -3.863 6.054 -0.668 1.00 0.16 H new ATOM 0 HD12 LEU A 9 -3.972 5.615 -2.389 1.00 0.16 H new ATOM 0 HD13 LEU A 9 -5.443 5.669 -1.390 1.00 0.16 H new ATOM 0 HD21 LEU A 9 -4.132 4.392 1.066 1.00 0.12 H new ATOM 0 HD22 LEU A 9 -5.723 3.872 0.460 1.00 0.12 H new ATOM 0 HD23 LEU A 9 -4.416 2.681 0.665 1.00 0.12 H new ATOM 112 N VAL A 10 -7.688 5.060 -1.844 1.00 0.12 N ATOM 113 CA VAL A 10 -8.305 6.273 -2.337 1.00 0.14 C ATOM 114 C VAL A 10 -7.817 7.479 -1.551 1.00 0.16 C ATOM 115 O VAL A 10 -7.451 7.363 -0.382 1.00 0.14 O ATOM 116 CB VAL A 10 -9.846 6.216 -2.245 1.00 0.16 C ATOM 117 CG1 VAL A 10 -10.473 6.774 -3.515 1.00 0.19 C ATOM 118 CG2 VAL A 10 -10.342 4.800 -1.969 1.00 0.16 C ATOM 0 H VAL A 10 -7.871 4.861 -0.861 1.00 0.12 H new ATOM 0 HA VAL A 10 -8.019 6.366 -3.385 1.00 0.14 H new ATOM 0 HB VAL A 10 -10.154 6.836 -1.403 1.00 0.16 H new ATOM 0 HG11 VAL A 10 -11.559 6.727 -3.435 1.00 0.19 H new ATOM 0 HG12 VAL A 10 -10.163 7.810 -3.649 1.00 0.19 H new ATOM 0 HG13 VAL A 10 -10.146 6.184 -4.372 1.00 0.19 H new ATOM 0 HG21 VAL A 10 -11.430 4.801 -1.911 1.00 0.16 H new ATOM 0 HG22 VAL A 10 -10.022 4.139 -2.774 1.00 0.16 H new ATOM 0 HG23 VAL A 10 -9.929 4.447 -1.024 1.00 0.16 H new ATOM 128 N PHE A 11 -7.796 8.623 -2.209 1.00 0.23 N ATOM 129 CA PHE A 11 -7.527 9.888 -1.551 1.00 0.27 C ATOM 130 C PHE A 11 -8.840 10.549 -1.224 1.00 0.33 C ATOM 131 O PHE A 11 -9.828 10.368 -1.942 1.00 0.42 O ATOM 132 CB PHE A 11 -6.746 10.820 -2.472 1.00 0.35 C ATOM 133 CG PHE A 11 -6.412 12.169 -1.879 1.00 0.48 C ATOM 134 CD1 PHE A 11 -5.467 12.307 -0.870 1.00 0.66 C ATOM 135 CD2 PHE A 11 -7.036 13.310 -2.361 1.00 0.72 C ATOM 136 CE1 PHE A 11 -5.158 13.550 -0.357 1.00 0.85 C ATOM 137 CE2 PHE A 11 -6.732 14.555 -1.847 1.00 0.90 C ATOM 138 CZ PHE A 11 -5.791 14.675 -0.845 1.00 0.90 C ATOM 0 H PHE A 11 -7.964 8.702 -3.212 1.00 0.23 H new ATOM 0 HA PHE A 11 -6.943 9.697 -0.651 1.00 0.27 H new ATOM 0 HB2 PHE A 11 -5.818 10.327 -2.761 1.00 0.35 H new ATOM 0 HB3 PHE A 11 -7.323 10.973 -3.384 1.00 0.35 H new ATOM 0 HD1 PHE A 11 -4.968 11.431 -0.483 1.00 0.66 H new ATOM 0 HD2 PHE A 11 -7.770 13.224 -3.149 1.00 0.72 H new ATOM 0 HE1 PHE A 11 -4.421 13.643 0.427 1.00 0.85 H new ATOM 0 HE2 PHE A 11 -7.230 15.434 -2.229 1.00 0.90 H new ATOM 0 HZ PHE A 11 -5.550 15.648 -0.443 1.00 0.90 H new ATOM 148 N ASP A 12 -8.869 11.298 -0.154 1.00 0.32 N ATOM 149 CA ASP A 12 -10.002 12.140 0.111 1.00 0.39 C ATOM 150 C ASP A 12 -9.514 13.513 0.533 1.00 0.41 C ATOM 151 O ASP A 12 -8.507 13.636 1.231 1.00 0.36 O ATOM 152 CB ASP A 12 -10.903 11.530 1.187 1.00 0.42 C ATOM 153 CG ASP A 12 -12.278 12.164 1.218 1.00 0.52 C ATOM 154 OD1 ASP A 12 -13.269 11.462 0.920 1.00 0.58 O ATOM 155 OD2 ASP A 12 -12.383 13.365 1.523 1.00 0.61 O ATOM 0 H ASP A 12 -8.126 11.342 0.543 1.00 0.32 H new ATOM 0 HA ASP A 12 -10.597 12.231 -0.798 1.00 0.39 H new ATOM 0 HB2 ASP A 12 -11.004 10.459 1.008 1.00 0.42 H new ATOM 0 HB3 ASP A 12 -10.430 11.647 2.162 1.00 0.42 H new ATOM 160 N ASN A 13 -10.223 14.539 0.089 1.00 0.52 N ATOM 161 CA ASN A 13 -9.828 15.917 0.341 1.00 0.56 C ATOM 162 C ASN A 13 -10.125 16.306 1.788 1.00 0.57 C ATOM 163 O ASN A 13 -9.718 17.371 2.252 1.00 0.65 O ATOM 164 CB ASN A 13 -10.551 16.852 -0.635 1.00 0.71 C ATOM 165 CG ASN A 13 -9.980 18.256 -0.645 1.00 1.50 C ATOM 166 OD1 ASN A 13 -9.014 18.539 -1.357 1.00 2.37 O ATOM 167 ND2 ASN A 13 -10.579 19.149 0.126 1.00 2.16 N ATOM 0 H ASN A 13 -11.082 14.442 -0.452 1.00 0.52 H new ATOM 0 HA ASN A 13 -8.754 16.011 0.184 1.00 0.56 H new ATOM 0 HB2 ASN A 13 -10.492 16.435 -1.640 1.00 0.71 H new ATOM 0 HB3 ASN A 13 -11.607 16.897 -0.370 1.00 0.71 H new ATOM 0 HD21 ASN A 13 -10.244 20.112 0.146 1.00 2.16 H new ATOM 0 HD22 ASN A 13 -11.376 18.874 0.700 1.00 2.16 H new ATOM 174 N ALA A 14 -10.836 15.431 2.493 1.00 0.55 N ATOM 175 CA ALA A 14 -11.089 15.608 3.915 1.00 0.59 C ATOM 176 C ALA A 14 -9.776 15.744 4.673 1.00 0.66 C ATOM 177 O ALA A 14 -8.805 15.044 4.369 1.00 1.31 O ATOM 178 CB ALA A 14 -11.884 14.432 4.460 1.00 0.60 C ATOM 0 H ALA A 14 -11.249 14.587 2.097 1.00 0.55 H new ATOM 0 HA ALA A 14 -11.670 16.520 4.052 1.00 0.59 H new ATOM 0 HB1 ALA A 14 -12.066 14.578 5.525 1.00 0.60 H new ATOM 0 HB2 ALA A 14 -12.837 14.363 3.935 1.00 0.60 H new ATOM 0 HB3 ALA A 14 -11.320 13.511 4.311 1.00 0.60 H new ATOM 184 N SER A 15 -9.741 16.667 5.631 1.00 0.60 N ATOM 185 CA SER A 15 -8.550 16.911 6.441 1.00 0.54 C ATOM 186 C SER A 15 -7.378 17.343 5.550 1.00 0.52 C ATOM 187 O SER A 15 -6.210 17.247 5.942 1.00 0.53 O ATOM 188 CB SER A 15 -8.193 15.649 7.244 1.00 0.53 C ATOM 189 OG SER A 15 -7.229 15.919 8.248 1.00 1.23 O ATOM 0 H SER A 15 -10.533 17.264 5.867 1.00 0.60 H new ATOM 0 HA SER A 15 -8.757 17.719 7.143 1.00 0.54 H new ATOM 0 HB2 SER A 15 -9.094 15.244 7.705 1.00 0.53 H new ATOM 0 HB3 SER A 15 -7.810 14.884 6.568 1.00 0.53 H new ATOM 0 HG SER A 15 -6.551 16.532 7.894 1.00 1.23 H new ATOM 195 N ASN A 16 -7.715 17.822 4.348 1.00 0.53 N ATOM 196 CA ASN A 16 -6.732 18.240 3.352 1.00 0.57 C ATOM 197 C ASN A 16 -5.773 17.102 3.010 1.00 0.52 C ATOM 198 O ASN A 16 -4.597 17.329 2.724 1.00 0.68 O ATOM 199 CB ASN A 16 -5.954 19.468 3.834 1.00 0.66 C ATOM 200 CG ASN A 16 -6.818 20.707 3.944 1.00 0.76 C ATOM 201 OD1 ASN A 16 -7.427 20.967 4.984 1.00 1.08 O ATOM 202 ND2 ASN A 16 -6.875 21.487 2.876 1.00 1.30 N ATOM 0 H ASN A 16 -8.682 17.930 4.041 1.00 0.53 H new ATOM 0 HA ASN A 16 -7.275 18.509 2.446 1.00 0.57 H new ATOM 0 HB2 ASN A 16 -5.511 19.253 4.806 1.00 0.66 H new ATOM 0 HB3 ASN A 16 -5.132 19.664 3.146 1.00 0.66 H new ATOM 0 HD21 ASN A 16 -7.438 22.338 2.895 1.00 1.30 H new ATOM 0 HD22 ASN A 16 -6.356 21.237 2.034 1.00 1.30 H new ATOM 209 N GLY A 17 -6.279 15.878 3.050 1.00 0.39 N ATOM 210 CA GLY A 17 -5.460 14.731 2.728 1.00 0.34 C ATOM 211 C GLY A 17 -5.774 13.547 3.606 1.00 0.28 C ATOM 212 O GLY A 17 -5.320 13.477 4.741 1.00 0.29 O ATOM 0 H GLY A 17 -7.244 15.660 3.300 1.00 0.39 H new ATOM 0 HA2 GLY A 17 -5.613 14.458 1.684 1.00 0.34 H new ATOM 0 HA3 GLY A 17 -4.408 14.995 2.838 1.00 0.34 H new ATOM 216 N THR A 18 -6.563 12.628 3.091 1.00 0.27 N ATOM 217 CA THR A 18 -6.890 11.409 3.810 1.00 0.24 C ATOM 218 C THR A 18 -6.812 10.207 2.874 1.00 0.18 C ATOM 219 O THR A 18 -7.085 10.329 1.681 1.00 0.19 O ATOM 220 CB THR A 18 -8.304 11.494 4.427 1.00 0.30 C ATOM 221 OG1 THR A 18 -8.391 12.630 5.296 1.00 0.40 O ATOM 222 CG2 THR A 18 -8.641 10.236 5.212 1.00 0.33 C ATOM 0 H THR A 18 -6.994 12.701 2.170 1.00 0.27 H new ATOM 0 HA THR A 18 -6.165 11.288 4.615 1.00 0.24 H new ATOM 0 HB THR A 18 -9.019 11.595 3.610 1.00 0.30 H new ATOM 0 HG1 THR A 18 -8.274 13.451 4.774 1.00 0.40 H new ATOM 0 HG21 THR A 18 -9.642 10.327 5.633 1.00 0.33 H new ATOM 0 HG22 THR A 18 -8.604 9.372 4.548 1.00 0.33 H new ATOM 0 HG23 THR A 18 -7.919 10.106 6.018 1.00 0.33 H new ATOM 230 N LEU A 19 -6.415 9.060 3.409 1.00 0.15 N ATOM 231 CA LEU A 19 -6.403 7.833 2.636 1.00 0.13 C ATOM 232 C LEU A 19 -7.560 6.938 3.031 1.00 0.14 C ATOM 233 O LEU A 19 -7.972 6.900 4.191 1.00 0.21 O ATOM 234 CB LEU A 19 -5.105 7.060 2.812 1.00 0.14 C ATOM 235 CG LEU A 19 -3.854 7.744 2.284 1.00 0.24 C ATOM 236 CD1 LEU A 19 -2.730 6.731 2.194 1.00 0.54 C ATOM 237 CD2 LEU A 19 -4.128 8.384 0.930 1.00 0.58 C ATOM 0 H LEU A 19 -6.098 8.957 4.373 1.00 0.15 H new ATOM 0 HA LEU A 19 -6.497 8.124 1.590 1.00 0.13 H new ATOM 0 HB2 LEU A 19 -4.965 6.857 3.874 1.00 0.14 H new ATOM 0 HB3 LEU A 19 -5.207 6.096 2.314 1.00 0.14 H new ATOM 0 HG LEU A 19 -3.557 8.538 2.969 1.00 0.24 H new ATOM 0 HD11 LEU A 19 -1.831 7.218 1.816 1.00 0.54 H new ATOM 0 HD12 LEU A 19 -2.531 6.320 3.184 1.00 0.54 H new ATOM 0 HD13 LEU A 19 -3.019 5.926 1.518 1.00 0.54 H new ATOM 0 HD21 LEU A 19 -3.222 8.869 0.567 1.00 0.58 H new ATOM 0 HD22 LEU A 19 -4.438 7.616 0.221 1.00 0.58 H new ATOM 0 HD23 LEU A 19 -4.921 9.125 1.032 1.00 0.58 H new ATOM 249 N PHE A 20 -8.048 6.202 2.059 1.00 0.13 N ATOM 250 CA PHE A 20 -9.200 5.347 2.232 1.00 0.14 C ATOM 251 C PHE A 20 -8.956 4.016 1.530 1.00 0.13 C ATOM 252 O PHE A 20 -8.514 3.981 0.391 1.00 0.12 O ATOM 253 CB PHE A 20 -10.435 6.109 1.686 1.00 0.15 C ATOM 254 CG PHE A 20 -11.662 5.299 1.344 1.00 0.16 C ATOM 255 CD1 PHE A 20 -11.931 4.101 1.963 1.00 0.17 C ATOM 256 CD2 PHE A 20 -12.554 5.765 0.388 1.00 0.17 C ATOM 257 CE1 PHE A 20 -13.055 3.372 1.641 1.00 0.19 C ATOM 258 CE2 PHE A 20 -13.684 5.042 0.061 1.00 0.19 C ATOM 259 CZ PHE A 20 -13.935 3.842 0.689 1.00 0.19 C ATOM 0 H PHE A 20 -7.654 6.180 1.119 1.00 0.13 H new ATOM 0 HA PHE A 20 -9.381 5.111 3.281 1.00 0.14 H new ATOM 0 HB2 PHE A 20 -10.722 6.857 2.425 1.00 0.15 H new ATOM 0 HB3 PHE A 20 -10.128 6.648 0.790 1.00 0.15 H new ATOM 0 HD1 PHE A 20 -11.251 3.726 2.713 1.00 0.17 H new ATOM 0 HD2 PHE A 20 -12.362 6.706 -0.107 1.00 0.17 H new ATOM 0 HE1 PHE A 20 -13.247 2.431 2.135 1.00 0.19 H new ATOM 0 HE2 PHE A 20 -14.369 5.416 -0.685 1.00 0.19 H new ATOM 0 HZ PHE A 20 -14.817 3.272 0.437 1.00 0.19 H new ATOM 269 N ILE A 21 -9.187 2.925 2.242 1.00 0.15 N ATOM 270 CA ILE A 21 -9.092 1.602 1.653 1.00 0.16 C ATOM 271 C ILE A 21 -10.477 0.979 1.561 1.00 0.18 C ATOM 272 O ILE A 21 -11.148 0.739 2.570 1.00 0.23 O ATOM 273 CB ILE A 21 -8.134 0.671 2.431 1.00 0.20 C ATOM 274 CG1 ILE A 21 -8.148 -0.731 1.813 1.00 0.24 C ATOM 275 CG2 ILE A 21 -8.497 0.618 3.909 1.00 0.24 C ATOM 276 CD1 ILE A 21 -7.218 -1.705 2.495 1.00 0.28 C ATOM 0 H ILE A 21 -9.442 2.931 3.230 1.00 0.15 H new ATOM 0 HA ILE A 21 -8.673 1.720 0.654 1.00 0.16 H new ATOM 0 HB ILE A 21 -7.125 1.076 2.357 1.00 0.20 H new ATOM 0 HG12 ILE A 21 -9.164 -1.125 1.851 1.00 0.24 H new ATOM 0 HG13 ILE A 21 -7.874 -0.657 0.761 1.00 0.24 H new ATOM 0 HG21 ILE A 21 -7.806 -0.045 4.430 1.00 0.24 H new ATOM 0 HG22 ILE A 21 -8.432 1.619 4.336 1.00 0.24 H new ATOM 0 HG23 ILE A 21 -9.514 0.242 4.021 1.00 0.24 H new ATOM 0 HD11 ILE A 21 -7.282 -2.675 2.003 1.00 0.28 H new ATOM 0 HD12 ILE A 21 -6.195 -1.334 2.434 1.00 0.28 H new ATOM 0 HD13 ILE A 21 -7.504 -1.810 3.542 1.00 0.28 H new ATOM 288 N VAL A 22 -10.910 0.758 0.342 1.00 0.16 N ATOM 289 CA VAL A 22 -12.241 0.251 0.086 1.00 0.18 C ATOM 290 C VAL A 22 -12.230 -1.266 -0.085 1.00 0.18 C ATOM 291 O VAL A 22 -11.426 -1.815 -0.840 1.00 0.22 O ATOM 292 CB VAL A 22 -12.839 0.917 -1.169 1.00 0.21 C ATOM 293 CG1 VAL A 22 -11.972 0.642 -2.366 1.00 0.22 C ATOM 294 CG2 VAL A 22 -14.275 0.466 -1.403 1.00 0.24 C ATOM 0 H VAL A 22 -10.354 0.923 -0.497 1.00 0.16 H new ATOM 0 HA VAL A 22 -12.862 0.494 0.949 1.00 0.18 H new ATOM 0 HB VAL A 22 -12.865 1.995 -1.008 1.00 0.21 H new ATOM 0 HG11 VAL A 22 -12.405 1.118 -3.246 1.00 0.22 H new ATOM 0 HG12 VAL A 22 -10.973 1.042 -2.192 1.00 0.22 H new ATOM 0 HG13 VAL A 22 -11.908 -0.434 -2.530 1.00 0.22 H new ATOM 0 HG21 VAL A 22 -14.669 0.953 -2.295 1.00 0.24 H new ATOM 0 HG22 VAL A 22 -14.299 -0.615 -1.539 1.00 0.24 H new ATOM 0 HG23 VAL A 22 -14.886 0.737 -0.542 1.00 0.24 H new ATOM 304 N TRP A 23 -13.109 -1.938 0.637 1.00 0.19 N ATOM 305 CA TRP A 23 -13.290 -3.368 0.475 1.00 0.21 C ATOM 306 C TRP A 23 -14.622 -3.631 -0.201 1.00 0.24 C ATOM 307 O TRP A 23 -15.684 -3.478 0.399 1.00 0.27 O ATOM 308 CB TRP A 23 -13.195 -4.091 1.819 1.00 0.23 C ATOM 309 CG TRP A 23 -11.788 -4.164 2.320 1.00 0.23 C ATOM 310 CD1 TRP A 23 -11.244 -3.476 3.365 1.00 0.29 C ATOM 311 CD2 TRP A 23 -10.734 -4.956 1.765 1.00 0.21 C ATOM 312 NE1 TRP A 23 -9.914 -3.801 3.497 1.00 0.31 N ATOM 313 CE2 TRP A 23 -9.579 -4.706 2.524 1.00 0.26 C ATOM 314 CE3 TRP A 23 -10.659 -5.856 0.697 1.00 0.22 C ATOM 315 CZ2 TRP A 23 -8.361 -5.324 2.248 1.00 0.28 C ATOM 316 CZ3 TRP A 23 -9.450 -6.464 0.424 1.00 0.26 C ATOM 317 CH2 TRP A 23 -8.315 -6.196 1.197 1.00 0.27 C ATOM 0 H TRP A 23 -13.710 -1.514 1.343 1.00 0.19 H new ATOM 0 HA TRP A 23 -12.491 -3.760 -0.155 1.00 0.21 H new ATOM 0 HB2 TRP A 23 -13.814 -3.575 2.553 1.00 0.23 H new ATOM 0 HB3 TRP A 23 -13.596 -5.099 1.717 1.00 0.23 H new ATOM 0 HD1 TRP A 23 -11.778 -2.780 3.995 1.00 0.29 H new ATOM 0 HE1 TRP A 23 -9.280 -3.429 4.204 1.00 0.31 H new ATOM 0 HE3 TRP A 23 -11.531 -6.071 0.097 1.00 0.22 H new ATOM 0 HZ2 TRP A 23 -7.484 -5.121 2.844 1.00 0.28 H new ATOM 0 HZ3 TRP A 23 -9.379 -7.158 -0.400 1.00 0.26 H new ATOM 0 HH2 TRP A 23 -7.384 -6.688 0.958 1.00 0.27 H new ATOM 328 N LYS A 24 -14.551 -4.024 -1.461 1.00 0.25 N ATOM 329 CA LYS A 24 -15.723 -4.114 -2.308 1.00 0.28 C ATOM 330 C LYS A 24 -15.582 -5.260 -3.302 1.00 0.33 C ATOM 331 O LYS A 24 -14.472 -5.744 -3.555 1.00 0.39 O ATOM 332 CB LYS A 24 -15.954 -2.797 -3.051 1.00 0.29 C ATOM 333 CG LYS A 24 -15.001 -2.552 -4.184 1.00 0.35 C ATOM 334 CD LYS A 24 -13.583 -2.408 -3.693 1.00 0.61 C ATOM 335 CE LYS A 24 -12.580 -2.764 -4.767 1.00 1.14 C ATOM 336 NZ LYS A 24 -12.671 -4.188 -5.174 1.00 1.36 N ATOM 0 H LYS A 24 -13.681 -4.289 -1.923 1.00 0.25 H new ATOM 0 HA LYS A 24 -16.586 -4.310 -1.672 1.00 0.28 H new ATOM 0 HB2 LYS A 24 -16.972 -2.786 -3.439 1.00 0.29 H new ATOM 0 HB3 LYS A 24 -15.875 -1.974 -2.341 1.00 0.29 H new ATOM 0 HG2 LYS A 24 -15.059 -3.377 -4.894 1.00 0.35 H new ATOM 0 HG3 LYS A 24 -15.295 -1.649 -4.719 1.00 0.35 H new ATOM 0 HD2 LYS A 24 -13.415 -1.383 -3.363 1.00 0.61 H new ATOM 0 HD3 LYS A 24 -13.431 -3.051 -2.826 1.00 0.61 H new ATOM 0 HE2 LYS A 24 -12.743 -2.129 -5.638 1.00 1.14 H new ATOM 0 HE3 LYS A 24 -11.573 -2.556 -4.404 1.00 1.14 H new ATOM 0 HZ1 LYS A 24 -11.714 -4.575 -5.301 1.00 1.36 H new ATOM 0 HZ2 LYS A 24 -13.168 -4.729 -4.437 1.00 1.36 H new ATOM 0 HZ3 LYS A 24 -13.195 -4.260 -6.069 1.00 1.36 H new ATOM 350 N LYS A 25 -16.703 -5.681 -3.865 1.00 0.36 N ATOM 351 CA LYS A 25 -16.726 -6.778 -4.826 1.00 0.42 C ATOM 352 C LYS A 25 -16.925 -6.217 -6.227 1.00 0.45 C ATOM 353 O LYS A 25 -17.335 -6.917 -7.155 1.00 0.56 O ATOM 354 CB LYS A 25 -17.852 -7.756 -4.478 1.00 0.49 C ATOM 355 CG LYS A 25 -17.873 -8.152 -3.016 1.00 0.67 C ATOM 356 CD LYS A 25 -16.567 -8.776 -2.599 1.00 0.70 C ATOM 357 CE LYS A 25 -16.785 -10.221 -2.198 1.00 0.94 C ATOM 358 NZ LYS A 25 -17.166 -11.089 -3.346 1.00 1.94 N ATOM 0 H LYS A 25 -17.619 -5.276 -3.672 1.00 0.36 H new ATOM 0 HA LYS A 25 -15.778 -7.315 -4.788 1.00 0.42 H new ATOM 0 HB2 LYS A 25 -18.809 -7.304 -4.738 1.00 0.49 H new ATOM 0 HB3 LYS A 25 -17.746 -8.653 -5.088 1.00 0.49 H new ATOM 0 HG2 LYS A 25 -18.071 -7.274 -2.402 1.00 0.67 H new ATOM 0 HG3 LYS A 25 -18.687 -8.855 -2.839 1.00 0.67 H new ATOM 0 HD2 LYS A 25 -15.851 -8.722 -3.419 1.00 0.70 H new ATOM 0 HD3 LYS A 25 -16.139 -8.220 -1.765 1.00 0.70 H new ATOM 0 HE2 LYS A 25 -15.873 -10.608 -1.743 1.00 0.94 H new ATOM 0 HE3 LYS A 25 -17.565 -10.268 -1.438 1.00 0.94 H new ATOM 0 HZ1 LYS A 25 -17.302 -12.065 -3.013 1.00 1.94 H new ATOM 0 HZ2 LYS A 25 -18.051 -10.740 -3.766 1.00 1.94 H new ATOM 0 HZ3 LYS A 25 -16.411 -11.069 -4.061 1.00 1.94 H new ATOM 372 N GLU A 26 -16.612 -4.940 -6.351 1.00 0.40 N ATOM 373 CA GLU A 26 -16.775 -4.196 -7.594 1.00 0.45 C ATOM 374 C GLU A 26 -15.504 -3.403 -7.882 1.00 0.41 C ATOM 375 O GLU A 26 -14.603 -3.349 -7.045 1.00 0.42 O ATOM 376 CB GLU A 26 -17.976 -3.248 -7.481 1.00 0.49 C ATOM 377 CG GLU A 26 -17.855 -2.247 -6.339 1.00 1.23 C ATOM 378 CD GLU A 26 -19.057 -1.331 -6.224 1.00 1.20 C ATOM 379 OE1 GLU A 26 -19.101 -0.308 -6.942 1.00 1.45 O ATOM 380 OE2 GLU A 26 -19.967 -1.635 -5.424 1.00 1.19 O ATOM 0 H GLU A 26 -16.233 -4.382 -5.586 1.00 0.40 H new ATOM 0 HA GLU A 26 -16.955 -4.893 -8.413 1.00 0.45 H new ATOM 0 HB2 GLU A 26 -18.089 -2.705 -8.419 1.00 0.49 H new ATOM 0 HB3 GLU A 26 -18.882 -3.838 -7.342 1.00 0.49 H new ATOM 0 HG2 GLU A 26 -17.726 -2.788 -5.401 1.00 1.23 H new ATOM 0 HG3 GLU A 26 -16.959 -1.644 -6.485 1.00 1.23 H new ATOM 387 N LYS A 27 -15.419 -2.795 -9.053 1.00 0.48 N ATOM 388 CA LYS A 27 -14.244 -2.007 -9.395 1.00 0.49 C ATOM 389 C LYS A 27 -14.401 -0.568 -8.915 1.00 0.47 C ATOM 390 O LYS A 27 -15.399 0.094 -9.208 1.00 0.68 O ATOM 391 CB LYS A 27 -13.981 -2.025 -10.901 1.00 0.64 C ATOM 392 CG LYS A 27 -12.668 -1.358 -11.282 1.00 1.53 C ATOM 393 CD LYS A 27 -12.468 -1.302 -12.786 1.00 1.71 C ATOM 394 CE LYS A 27 -13.597 -0.549 -13.468 1.00 1.60 C ATOM 395 NZ LYS A 27 -13.242 -0.139 -14.851 1.00 2.35 N ATOM 0 H LYS A 27 -16.138 -2.830 -9.775 1.00 0.48 H new ATOM 0 HA LYS A 27 -13.390 -2.459 -8.891 1.00 0.49 H new ATOM 0 HB2 LYS A 27 -13.973 -3.057 -11.251 1.00 0.64 H new ATOM 0 HB3 LYS A 27 -14.800 -1.521 -11.414 1.00 0.64 H new ATOM 0 HG2 LYS A 27 -12.645 -0.347 -10.876 1.00 1.53 H new ATOM 0 HG3 LYS A 27 -11.841 -1.903 -10.827 1.00 1.53 H new ATOM 0 HD2 LYS A 27 -11.518 -0.817 -13.010 1.00 1.71 H new ATOM 0 HD3 LYS A 27 -12.411 -2.315 -13.185 1.00 1.71 H new ATOM 0 HE2 LYS A 27 -14.487 -1.178 -13.494 1.00 1.60 H new ATOM 0 HE3 LYS A 27 -13.848 0.335 -12.882 1.00 1.60 H new ATOM 0 HZ1 LYS A 27 -14.059 -0.285 -15.477 1.00 2.35 H new ATOM 0 HZ2 LYS A 27 -12.976 0.867 -14.858 1.00 2.35 H new ATOM 0 HZ3 LYS A 27 -12.441 -0.711 -15.188 1.00 2.35 H new ATOM 409 N VAL A 28 -13.410 -0.099 -8.175 1.00 0.43 N ATOM 410 CA VAL A 28 -13.400 1.261 -7.662 1.00 0.42 C ATOM 411 C VAL A 28 -12.427 2.112 -8.470 1.00 0.40 C ATOM 412 O VAL A 28 -11.289 1.707 -8.715 1.00 0.51 O ATOM 413 CB VAL A 28 -12.999 1.300 -6.171 1.00 0.52 C ATOM 414 CG1 VAL A 28 -12.900 2.734 -5.667 1.00 1.16 C ATOM 415 CG2 VAL A 28 -13.978 0.498 -5.322 1.00 1.07 C ATOM 0 H VAL A 28 -12.592 -0.649 -7.913 1.00 0.43 H new ATOM 0 HA VAL A 28 -14.410 1.660 -7.755 1.00 0.42 H new ATOM 0 HB VAL A 28 -12.014 0.841 -6.080 1.00 0.52 H new ATOM 0 HG11 VAL A 28 -12.616 2.731 -4.615 1.00 1.16 H new ATOM 0 HG12 VAL A 28 -12.148 3.271 -6.244 1.00 1.16 H new ATOM 0 HG13 VAL A 28 -13.865 3.227 -5.781 1.00 1.16 H new ATOM 0 HG21 VAL A 28 -13.673 0.541 -4.276 1.00 1.07 H new ATOM 0 HG22 VAL A 28 -14.979 0.918 -5.426 1.00 1.07 H new ATOM 0 HG23 VAL A 28 -13.983 -0.540 -5.655 1.00 1.07 H new ATOM 425 N GLU A 29 -12.885 3.275 -8.896 1.00 0.37 N ATOM 426 CA GLU A 29 -12.064 4.180 -9.685 1.00 0.37 C ATOM 427 C GLU A 29 -11.568 5.332 -8.826 1.00 0.32 C ATOM 428 O GLU A 29 -11.962 5.456 -7.666 1.00 0.33 O ATOM 429 CB GLU A 29 -12.874 4.711 -10.863 1.00 0.45 C ATOM 430 CG GLU A 29 -13.423 3.611 -11.753 1.00 0.74 C ATOM 431 CD GLU A 29 -12.376 2.995 -12.660 1.00 1.33 C ATOM 432 OE1 GLU A 29 -12.685 2.745 -13.841 1.00 1.80 O ATOM 433 OE2 GLU A 29 -11.235 2.767 -12.209 1.00 1.98 O ATOM 0 H GLU A 29 -13.827 3.618 -8.708 1.00 0.37 H new ATOM 0 HA GLU A 29 -11.198 3.636 -10.062 1.00 0.37 H new ATOM 0 HB2 GLU A 29 -13.702 5.312 -10.486 1.00 0.45 H new ATOM 0 HB3 GLU A 29 -12.246 5.373 -11.459 1.00 0.45 H new ATOM 0 HG2 GLU A 29 -13.857 2.830 -11.128 1.00 0.74 H new ATOM 0 HG3 GLU A 29 -14.230 4.016 -12.364 1.00 0.74 H new ATOM 440 N ASN A 30 -10.705 6.168 -9.407 1.00 0.33 N ATOM 441 CA ASN A 30 -10.122 7.321 -8.710 1.00 0.34 C ATOM 442 C ASN A 30 -9.182 6.867 -7.600 1.00 0.27 C ATOM 443 O ASN A 30 -8.815 7.648 -6.720 1.00 0.31 O ATOM 444 CB ASN A 30 -11.203 8.239 -8.123 1.00 0.40 C ATOM 445 CG ASN A 30 -12.066 8.899 -9.180 1.00 1.17 C ATOM 446 OD1 ASN A 30 -11.739 9.977 -9.678 1.00 1.67 O ATOM 447 ND2 ASN A 30 -13.185 8.274 -9.511 1.00 2.06 N ATOM 0 H ASN A 30 -10.390 6.067 -10.372 1.00 0.33 H new ATOM 0 HA ASN A 30 -9.557 7.886 -9.451 1.00 0.34 H new ATOM 0 HB2 ASN A 30 -11.839 7.659 -7.454 1.00 0.40 H new ATOM 0 HB3 ASN A 30 -10.726 9.011 -7.519 1.00 0.40 H new ATOM 0 HD21 ASN A 30 -13.813 8.684 -10.202 1.00 2.06 H new ATOM 0 HD22 ASN A 30 -13.419 7.382 -9.075 1.00 2.06 H new ATOM 454 N ALA A 31 -8.795 5.601 -7.647 1.00 0.21 N ATOM 455 CA ALA A 31 -7.920 5.035 -6.638 1.00 0.18 C ATOM 456 C ALA A 31 -6.457 5.158 -7.047 1.00 0.17 C ATOM 457 O ALA A 31 -6.124 5.179 -8.233 1.00 0.20 O ATOM 458 CB ALA A 31 -8.282 3.585 -6.388 1.00 0.17 C ATOM 0 H ALA A 31 -9.076 4.946 -8.377 1.00 0.21 H new ATOM 0 HA ALA A 31 -8.056 5.597 -5.714 1.00 0.18 H new ATOM 0 HB1 ALA A 31 -7.619 3.170 -5.629 1.00 0.17 H new ATOM 0 HB2 ALA A 31 -9.314 3.522 -6.042 1.00 0.17 H new ATOM 0 HB3 ALA A 31 -8.174 3.018 -7.313 1.00 0.17 H new ATOM 464 N LEU A 32 -5.596 5.243 -6.044 1.00 0.17 N ATOM 465 CA LEU A 32 -4.170 5.457 -6.245 1.00 0.18 C ATOM 466 C LEU A 32 -3.434 4.120 -6.188 1.00 0.17 C ATOM 467 O LEU A 32 -2.386 3.954 -6.795 1.00 0.19 O ATOM 468 CB LEU A 32 -3.591 6.388 -5.159 1.00 0.22 C ATOM 469 CG LEU A 32 -4.075 7.851 -5.109 1.00 0.29 C ATOM 470 CD1 LEU A 32 -5.545 8.002 -5.452 1.00 0.38 C ATOM 471 CD2 LEU A 32 -3.807 8.435 -3.732 1.00 0.28 C ATOM 0 H LEU A 32 -5.867 5.165 -5.064 1.00 0.17 H new ATOM 0 HA LEU A 32 -4.034 5.922 -7.221 1.00 0.18 H new ATOM 0 HB2 LEU A 32 -3.800 5.936 -4.189 1.00 0.22 H new ATOM 0 HB3 LEU A 32 -2.508 6.401 -5.277 1.00 0.22 H new ATOM 0 HG LEU A 32 -3.514 8.396 -5.868 1.00 0.29 H new ATOM 0 HD11 LEU A 32 -5.825 9.054 -5.399 1.00 0.38 H new ATOM 0 HD12 LEU A 32 -5.723 7.629 -6.461 1.00 0.38 H new ATOM 0 HD13 LEU A 32 -6.145 7.431 -4.743 1.00 0.38 H new ATOM 0 HD21 LEU A 32 -4.151 9.469 -3.702 1.00 0.28 H new ATOM 0 HD22 LEU A 32 -4.340 7.853 -2.980 1.00 0.28 H new ATOM 0 HD23 LEU A 32 -2.737 8.402 -3.525 1.00 0.28 H new ATOM 483 N MET A 33 -3.983 3.175 -5.428 1.00 0.15 N ATOM 484 CA MET A 33 -3.393 1.844 -5.302 1.00 0.14 C ATOM 485 C MET A 33 -4.480 0.776 -5.210 1.00 0.12 C ATOM 486 O MET A 33 -5.658 1.100 -5.062 1.00 0.12 O ATOM 487 CB MET A 33 -2.485 1.756 -4.080 1.00 0.14 C ATOM 488 CG MET A 33 -1.228 2.591 -4.167 1.00 0.17 C ATOM 489 SD MET A 33 -0.240 2.482 -2.671 1.00 0.17 S ATOM 490 CE MET A 33 0.055 0.717 -2.606 1.00 0.20 C ATOM 0 H MET A 33 -4.838 3.307 -4.888 1.00 0.15 H new ATOM 0 HA MET A 33 -2.794 1.667 -6.195 1.00 0.14 H new ATOM 0 HB2 MET A 33 -3.050 2.065 -3.201 1.00 0.14 H new ATOM 0 HB3 MET A 33 -2.203 0.714 -3.928 1.00 0.14 H new ATOM 0 HG2 MET A 33 -0.633 2.262 -5.019 1.00 0.17 H new ATOM 0 HG3 MET A 33 -1.496 3.632 -4.349 1.00 0.17 H new ATOM 0 HE1 MET A 33 0.731 0.491 -1.781 1.00 0.20 H new ATOM 0 HE2 MET A 33 -0.890 0.196 -2.454 1.00 0.20 H new ATOM 0 HE3 MET A 33 0.504 0.388 -3.543 1.00 0.20 H new ATOM 500 N PHE A 34 -4.083 -0.492 -5.293 1.00 0.12 N ATOM 501 CA PHE A 34 -5.040 -1.593 -5.351 1.00 0.12 C ATOM 502 C PHE A 34 -4.469 -2.851 -4.689 1.00 0.11 C ATOM 503 O PHE A 34 -3.256 -3.033 -4.617 1.00 0.12 O ATOM 504 CB PHE A 34 -5.409 -1.868 -6.816 1.00 0.13 C ATOM 505 CG PHE A 34 -6.284 -3.073 -7.048 1.00 0.15 C ATOM 506 CD1 PHE A 34 -5.744 -4.243 -7.546 1.00 0.17 C ATOM 507 CD2 PHE A 34 -7.642 -3.030 -6.793 1.00 0.19 C ATOM 508 CE1 PHE A 34 -6.539 -5.345 -7.785 1.00 0.21 C ATOM 509 CE2 PHE A 34 -8.444 -4.131 -7.024 1.00 0.23 C ATOM 510 CZ PHE A 34 -7.891 -5.291 -7.522 1.00 0.23 C ATOM 0 H PHE A 34 -3.105 -0.782 -5.322 1.00 0.12 H new ATOM 0 HA PHE A 34 -5.938 -1.312 -4.801 1.00 0.12 H new ATOM 0 HB2 PHE A 34 -5.916 -0.990 -7.216 1.00 0.13 H new ATOM 0 HB3 PHE A 34 -4.489 -1.993 -7.387 1.00 0.13 H new ATOM 0 HD1 PHE A 34 -4.685 -4.296 -7.751 1.00 0.17 H new ATOM 0 HD2 PHE A 34 -8.082 -2.122 -6.408 1.00 0.19 H new ATOM 0 HE1 PHE A 34 -6.102 -6.251 -8.178 1.00 0.21 H new ATOM 0 HE2 PHE A 34 -9.502 -4.083 -6.815 1.00 0.23 H new ATOM 0 HZ PHE A 34 -8.514 -6.154 -7.705 1.00 0.23 H new ATOM 520 N ILE A 35 -5.365 -3.702 -4.213 1.00 0.11 N ATOM 521 CA ILE A 35 -5.010 -4.978 -3.600 1.00 0.12 C ATOM 522 C ILE A 35 -5.857 -6.071 -4.220 1.00 0.12 C ATOM 523 O ILE A 35 -7.078 -5.928 -4.315 1.00 0.16 O ATOM 524 CB ILE A 35 -5.267 -5.015 -2.071 1.00 0.13 C ATOM 525 CG1 ILE A 35 -4.381 -4.021 -1.314 1.00 0.13 C ATOM 526 CG2 ILE A 35 -5.050 -6.429 -1.545 1.00 0.15 C ATOM 527 CD1 ILE A 35 -4.678 -3.942 0.178 1.00 0.14 C ATOM 0 H ILE A 35 -6.369 -3.527 -4.240 1.00 0.11 H new ATOM 0 HA ILE A 35 -3.943 -5.120 -3.773 1.00 0.12 H new ATOM 0 HB ILE A 35 -6.302 -4.718 -1.900 1.00 0.13 H new ATOM 0 HG12 ILE A 35 -3.337 -4.301 -1.452 1.00 0.13 H new ATOM 0 HG13 ILE A 35 -4.506 -3.031 -1.752 1.00 0.13 H new ATOM 0 HG21 ILE A 35 -5.232 -6.449 -0.470 1.00 0.15 H new ATOM 0 HG22 ILE A 35 -5.739 -7.112 -2.043 1.00 0.15 H new ATOM 0 HG23 ILE A 35 -4.024 -6.738 -1.745 1.00 0.15 H new ATOM 0 HD11 ILE A 35 -4.010 -3.217 0.644 1.00 0.14 H new ATOM 0 HD12 ILE A 35 -5.712 -3.631 0.327 1.00 0.14 H new ATOM 0 HD13 ILE A 35 -4.525 -4.921 0.632 1.00 0.14 H new ATOM 539 N LYS A 36 -5.231 -7.157 -4.630 1.00 0.13 N ATOM 540 CA LYS A 36 -5.977 -8.268 -5.178 1.00 0.15 C ATOM 541 C LYS A 36 -5.763 -9.507 -4.322 1.00 0.16 C ATOM 542 O LYS A 36 -4.685 -10.089 -4.323 1.00 0.22 O ATOM 543 CB LYS A 36 -5.522 -8.519 -6.615 1.00 0.25 C ATOM 544 CG LYS A 36 -6.449 -9.426 -7.417 1.00 0.64 C ATOM 545 CD LYS A 36 -6.135 -10.899 -7.205 1.00 0.70 C ATOM 546 CE LYS A 36 -4.824 -11.296 -7.872 1.00 1.57 C ATOM 547 NZ LYS A 36 -4.871 -11.106 -9.348 1.00 2.38 N ATOM 0 H LYS A 36 -4.221 -7.292 -4.594 1.00 0.13 H new ATOM 0 HA LYS A 36 -7.041 -8.033 -5.179 1.00 0.15 H new ATOM 0 HB2 LYS A 36 -5.436 -7.562 -7.129 1.00 0.25 H new ATOM 0 HB3 LYS A 36 -4.526 -8.962 -6.596 1.00 0.25 H new ATOM 0 HG2 LYS A 36 -7.482 -9.231 -7.130 1.00 0.64 H new ATOM 0 HG3 LYS A 36 -6.362 -9.186 -8.477 1.00 0.64 H new ATOM 0 HD2 LYS A 36 -6.078 -11.109 -6.137 1.00 0.70 H new ATOM 0 HD3 LYS A 36 -6.946 -11.506 -7.607 1.00 0.70 H new ATOM 0 HE2 LYS A 36 -4.011 -10.702 -7.455 1.00 1.57 H new ATOM 0 HE3 LYS A 36 -4.604 -12.340 -7.647 1.00 1.57 H new ATOM 0 HZ1 LYS A 36 -4.108 -11.655 -9.793 1.00 2.38 H new ATOM 0 HZ2 LYS A 36 -5.789 -11.432 -9.711 1.00 2.38 H new ATOM 0 HZ3 LYS A 36 -4.749 -10.098 -9.572 1.00 2.38 H new ATOM 561 N PRO A 37 -6.794 -9.934 -3.591 1.00 0.17 N ATOM 562 CA PRO A 37 -6.744 -11.149 -2.787 1.00 0.21 C ATOM 563 C PRO A 37 -6.910 -12.411 -3.626 1.00 0.27 C ATOM 564 O PRO A 37 -7.862 -12.538 -4.400 1.00 0.35 O ATOM 565 CB PRO A 37 -7.931 -11.002 -1.820 1.00 0.24 C ATOM 566 CG PRO A 37 -8.465 -9.624 -2.036 1.00 0.23 C ATOM 567 CD PRO A 37 -8.066 -9.237 -3.427 1.00 0.18 C ATOM 0 HA PRO A 37 -5.780 -11.256 -2.289 1.00 0.21 H new ATOM 0 HB2 PRO A 37 -8.695 -11.753 -2.022 1.00 0.24 H new ATOM 0 HB3 PRO A 37 -7.613 -11.140 -0.787 1.00 0.24 H new ATOM 0 HG2 PRO A 37 -9.549 -9.604 -1.922 1.00 0.23 H new ATOM 0 HG3 PRO A 37 -8.054 -8.928 -1.305 1.00 0.23 H new ATOM 0 HD2 PRO A 37 -8.802 -9.556 -4.165 1.00 0.18 H new ATOM 0 HD3 PRO A 37 -7.955 -8.158 -3.533 1.00 0.18 H new ATOM 575 N THR A 38 -5.966 -13.325 -3.480 1.00 0.31 N ATOM 576 CA THR A 38 -6.074 -14.644 -4.073 1.00 0.38 C ATOM 577 C THR A 38 -6.757 -15.569 -3.084 1.00 0.44 C ATOM 578 O THR A 38 -7.488 -16.489 -3.451 1.00 0.54 O ATOM 579 CB THR A 38 -4.685 -15.188 -4.428 1.00 0.48 C ATOM 580 OG1 THR A 38 -3.809 -15.048 -3.300 1.00 0.86 O ATOM 581 CG2 THR A 38 -4.109 -14.436 -5.609 1.00 0.78 C ATOM 0 H THR A 38 -5.108 -13.174 -2.950 1.00 0.31 H new ATOM 0 HA THR A 38 -6.660 -14.583 -4.990 1.00 0.38 H new ATOM 0 HB THR A 38 -4.779 -16.241 -4.692 1.00 0.48 H new ATOM 0 HG1 THR A 38 -2.923 -15.398 -3.529 1.00 0.86 H new ATOM 0 HG21 THR A 38 -3.123 -14.834 -5.848 1.00 0.78 H new ATOM 0 HG22 THR A 38 -4.766 -14.553 -6.471 1.00 0.78 H new ATOM 0 HG23 THR A 38 -4.022 -13.378 -5.360 1.00 0.78 H new ATOM 589 N LYS A 39 -6.501 -15.290 -1.819 1.00 0.48 N ATOM 590 CA LYS A 39 -7.204 -15.926 -0.723 1.00 0.63 C ATOM 591 C LYS A 39 -8.463 -15.127 -0.435 1.00 0.58 C ATOM 592 O LYS A 39 -8.508 -13.927 -0.708 1.00 0.54 O ATOM 593 CB LYS A 39 -6.323 -15.959 0.522 1.00 0.78 C ATOM 594 CG LYS A 39 -4.987 -16.660 0.327 1.00 0.93 C ATOM 595 CD LYS A 39 -5.161 -18.150 0.087 1.00 1.09 C ATOM 596 CE LYS A 39 -3.816 -18.855 0.014 1.00 1.65 C ATOM 597 NZ LYS A 39 -3.965 -20.326 -0.136 1.00 2.16 N ATOM 0 H LYS A 39 -5.797 -14.614 -1.523 1.00 0.48 H new ATOM 0 HA LYS A 39 -7.458 -16.951 -0.994 1.00 0.63 H new ATOM 0 HB2 LYS A 39 -6.138 -14.936 0.849 1.00 0.78 H new ATOM 0 HB3 LYS A 39 -6.867 -16.457 1.324 1.00 0.78 H new ATOM 0 HG2 LYS A 39 -4.463 -16.214 -0.519 1.00 0.93 H new ATOM 0 HG3 LYS A 39 -4.363 -16.504 1.207 1.00 0.93 H new ATOM 0 HD2 LYS A 39 -5.759 -18.583 0.889 1.00 1.09 H new ATOM 0 HD3 LYS A 39 -5.710 -18.310 -0.841 1.00 1.09 H new ATOM 0 HE2 LYS A 39 -3.245 -18.461 -0.827 1.00 1.65 H new ATOM 0 HE3 LYS A 39 -3.244 -18.639 0.916 1.00 1.65 H new ATOM 0 HZ1 LYS A 39 -3.024 -20.767 -0.182 1.00 2.16 H new ATOM 0 HZ2 LYS A 39 -4.487 -20.707 0.679 1.00 2.16 H new ATOM 0 HZ3 LYS A 39 -4.488 -20.535 -1.010 1.00 2.16 H new ATOM 611 N GLU A 40 -9.486 -15.783 0.094 1.00 0.66 N ATOM 612 CA GLU A 40 -10.726 -15.097 0.416 1.00 0.64 C ATOM 613 C GLU A 40 -10.498 -14.057 1.493 1.00 0.57 C ATOM 614 O GLU A 40 -9.822 -14.310 2.496 1.00 0.62 O ATOM 615 CB GLU A 40 -11.805 -16.075 0.874 1.00 0.76 C ATOM 616 CG GLU A 40 -12.259 -17.045 -0.197 1.00 1.44 C ATOM 617 CD GLU A 40 -13.502 -17.795 0.214 1.00 1.86 C ATOM 618 OE1 GLU A 40 -14.601 -17.444 -0.263 1.00 2.08 O ATOM 619 OE2 GLU A 40 -13.388 -18.758 1.004 1.00 2.42 O ATOM 0 H GLU A 40 -9.482 -16.780 0.307 1.00 0.66 H new ATOM 0 HA GLU A 40 -11.069 -14.606 -0.495 1.00 0.64 H new ATOM 0 HB2 GLU A 40 -11.428 -16.642 1.725 1.00 0.76 H new ATOM 0 HB3 GLU A 40 -12.668 -15.509 1.225 1.00 0.76 H new ATOM 0 HG2 GLU A 40 -12.452 -16.501 -1.121 1.00 1.44 H new ATOM 0 HG3 GLU A 40 -11.459 -17.755 -0.406 1.00 1.44 H new ATOM 626 N VAL A 41 -11.077 -12.896 1.274 1.00 0.53 N ATOM 627 CA VAL A 41 -10.937 -11.783 2.188 1.00 0.49 C ATOM 628 C VAL A 41 -11.910 -11.916 3.347 1.00 0.51 C ATOM 629 O VAL A 41 -13.055 -12.344 3.164 1.00 0.54 O ATOM 630 CB VAL A 41 -11.158 -10.436 1.468 1.00 0.53 C ATOM 631 CG1 VAL A 41 -9.823 -9.783 1.173 1.00 0.73 C ATOM 632 CG2 VAL A 41 -11.937 -10.631 0.176 1.00 0.69 C ATOM 0 H VAL A 41 -11.657 -12.697 0.459 1.00 0.53 H new ATOM 0 HA VAL A 41 -9.918 -11.802 2.576 1.00 0.49 H new ATOM 0 HB VAL A 41 -11.740 -9.788 2.124 1.00 0.53 H new ATOM 0 HG11 VAL A 41 -9.987 -8.833 0.665 1.00 0.73 H new ATOM 0 HG12 VAL A 41 -9.290 -9.607 2.107 1.00 0.73 H new ATOM 0 HG13 VAL A 41 -9.231 -10.438 0.535 1.00 0.73 H new ATOM 0 HG21 VAL A 41 -12.079 -9.667 -0.312 1.00 0.69 H new ATOM 0 HG22 VAL A 41 -11.382 -11.295 -0.487 1.00 0.69 H new ATOM 0 HG23 VAL A 41 -12.909 -11.071 0.400 1.00 0.69 H new ATOM 642 N PRO A 42 -11.435 -11.582 4.558 1.00 0.55 N ATOM 643 CA PRO A 42 -12.216 -11.677 5.795 1.00 0.62 C ATOM 644 C PRO A 42 -13.612 -11.082 5.654 1.00 0.63 C ATOM 645 O PRO A 42 -13.771 -9.895 5.359 1.00 0.64 O ATOM 646 CB PRO A 42 -11.385 -10.861 6.776 1.00 0.68 C ATOM 647 CG PRO A 42 -9.988 -11.019 6.306 1.00 0.65 C ATOM 648 CD PRO A 42 -10.068 -11.085 4.812 1.00 0.58 C ATOM 0 HA PRO A 42 -12.385 -12.710 6.099 1.00 0.62 H new ATOM 0 HB2 PRO A 42 -11.687 -9.814 6.776 1.00 0.68 H new ATOM 0 HB3 PRO A 42 -11.504 -11.227 7.796 1.00 0.68 H new ATOM 0 HG2 PRO A 42 -9.369 -10.181 6.628 1.00 0.65 H new ATOM 0 HG3 PRO A 42 -9.537 -11.924 6.714 1.00 0.65 H new ATOM 0 HD2 PRO A 42 -9.906 -10.107 4.358 1.00 0.58 H new ATOM 0 HD3 PRO A 42 -9.315 -11.756 4.400 1.00 0.58 H new ATOM 656 N GLU A 43 -14.616 -11.913 5.896 1.00 0.69 N ATOM 657 CA GLU A 43 -15.998 -11.556 5.668 1.00 0.75 C ATOM 658 C GLU A 43 -16.491 -10.524 6.672 1.00 0.81 C ATOM 659 O GLU A 43 -17.239 -9.609 6.321 1.00 0.83 O ATOM 660 CB GLU A 43 -16.849 -12.807 5.750 1.00 0.85 C ATOM 661 CG GLU A 43 -18.295 -12.569 5.393 1.00 1.21 C ATOM 662 CD GLU A 43 -19.123 -13.830 5.438 1.00 1.68 C ATOM 663 OE1 GLU A 43 -19.794 -14.072 6.462 1.00 2.28 O ATOM 664 OE2 GLU A 43 -19.104 -14.588 4.448 1.00 1.87 O ATOM 0 H GLU A 43 -14.488 -12.858 6.258 1.00 0.69 H new ATOM 0 HA GLU A 43 -16.078 -11.108 4.678 1.00 0.75 H new ATOM 0 HB2 GLU A 43 -16.437 -13.563 5.082 1.00 0.85 H new ATOM 0 HB3 GLU A 43 -16.793 -13.210 6.761 1.00 0.85 H new ATOM 0 HG2 GLU A 43 -18.719 -11.837 6.080 1.00 1.21 H new ATOM 0 HG3 GLU A 43 -18.352 -12.138 4.393 1.00 1.21 H new ATOM 671 N PHE A 44 -16.063 -10.658 7.918 1.00 0.86 N ATOM 672 CA PHE A 44 -16.546 -9.780 8.970 1.00 0.97 C ATOM 673 C PHE A 44 -15.974 -8.381 8.801 1.00 0.96 C ATOM 674 O PHE A 44 -16.561 -7.405 9.251 1.00 1.02 O ATOM 675 CB PHE A 44 -16.219 -10.332 10.355 1.00 1.11 C ATOM 676 CG PHE A 44 -16.922 -11.627 10.663 1.00 1.69 C ATOM 677 CD1 PHE A 44 -16.272 -12.838 10.481 1.00 2.33 C ATOM 678 CD2 PHE A 44 -18.225 -11.636 11.136 1.00 1.86 C ATOM 679 CE1 PHE A 44 -16.909 -14.032 10.766 1.00 3.18 C ATOM 680 CE2 PHE A 44 -18.865 -12.826 11.422 1.00 2.66 C ATOM 681 CZ PHE A 44 -18.234 -14.013 11.229 1.00 3.34 C ATOM 0 H PHE A 44 -15.388 -11.360 8.223 1.00 0.86 H new ATOM 0 HA PHE A 44 -17.631 -9.726 8.885 1.00 0.97 H new ATOM 0 HB2 PHE A 44 -15.142 -10.484 10.433 1.00 1.11 H new ATOM 0 HB3 PHE A 44 -16.491 -9.591 11.107 1.00 1.11 H new ATOM 0 HD1 PHE A 44 -15.257 -12.849 10.113 1.00 2.33 H new ATOM 0 HD2 PHE A 44 -18.746 -10.701 11.283 1.00 1.86 H new ATOM 0 HE1 PHE A 44 -16.392 -14.971 10.634 1.00 3.18 H new ATOM 0 HE2 PHE A 44 -19.876 -12.812 11.802 1.00 2.66 H new ATOM 0 HZ PHE A 44 -18.750 -14.940 11.431 1.00 3.34 H new ATOM 691 N LYS A 45 -14.833 -8.286 8.135 1.00 0.90 N ATOM 692 CA LYS A 45 -14.247 -6.994 7.819 1.00 0.93 C ATOM 693 C LYS A 45 -15.144 -6.204 6.876 1.00 0.89 C ATOM 694 O LYS A 45 -15.207 -4.978 6.951 1.00 0.98 O ATOM 695 CB LYS A 45 -12.856 -7.163 7.212 1.00 0.94 C ATOM 696 CG LYS A 45 -11.755 -7.231 8.254 1.00 1.07 C ATOM 697 CD LYS A 45 -11.901 -8.432 9.175 1.00 1.09 C ATOM 698 CE LYS A 45 -10.836 -8.420 10.256 1.00 1.27 C ATOM 699 NZ LYS A 45 -10.930 -9.603 11.150 1.00 1.94 N ATOM 0 H LYS A 45 -14.296 -9.087 7.804 1.00 0.90 H new ATOM 0 HA LYS A 45 -14.152 -6.434 8.750 1.00 0.93 H new ATOM 0 HB2 LYS A 45 -12.836 -8.073 6.612 1.00 0.94 H new ATOM 0 HB3 LYS A 45 -12.658 -6.331 6.536 1.00 0.94 H new ATOM 0 HG2 LYS A 45 -10.788 -7.276 7.754 1.00 1.07 H new ATOM 0 HG3 LYS A 45 -11.764 -6.317 8.849 1.00 1.07 H new ATOM 0 HD2 LYS A 45 -12.890 -8.425 9.633 1.00 1.09 H new ATOM 0 HD3 LYS A 45 -11.825 -9.351 8.595 1.00 1.09 H new ATOM 0 HE2 LYS A 45 -9.850 -8.395 9.792 1.00 1.27 H new ATOM 0 HE3 LYS A 45 -10.933 -7.510 10.849 1.00 1.27 H new ATOM 0 HZ1 LYS A 45 -10.184 -9.552 11.872 1.00 1.94 H new ATOM 0 HZ2 LYS A 45 -11.861 -9.614 11.614 1.00 1.94 H new ATOM 0 HZ3 LYS A 45 -10.812 -10.471 10.590 1.00 1.94 H new ATOM 713 N PHE A 46 -15.848 -6.913 6.002 1.00 0.79 N ATOM 714 CA PHE A 46 -16.791 -6.276 5.089 1.00 0.78 C ATOM 715 C PHE A 46 -17.940 -5.637 5.856 1.00 0.83 C ATOM 716 O PHE A 46 -18.261 -4.472 5.652 1.00 0.93 O ATOM 717 CB PHE A 46 -17.348 -7.288 4.085 1.00 0.74 C ATOM 718 CG PHE A 46 -16.407 -7.615 2.961 1.00 0.65 C ATOM 719 CD1 PHE A 46 -15.658 -8.779 2.975 1.00 0.72 C ATOM 720 CD2 PHE A 46 -16.281 -6.756 1.881 1.00 0.64 C ATOM 721 CE1 PHE A 46 -14.801 -9.080 1.935 1.00 0.66 C ATOM 722 CE2 PHE A 46 -15.424 -7.050 0.839 1.00 0.58 C ATOM 723 CZ PHE A 46 -14.683 -8.215 0.865 1.00 0.54 C ATOM 0 H PHE A 46 -15.785 -7.926 5.906 1.00 0.79 H new ATOM 0 HA PHE A 46 -16.250 -5.500 4.547 1.00 0.78 H new ATOM 0 HB2 PHE A 46 -17.600 -8.207 4.613 1.00 0.74 H new ATOM 0 HB3 PHE A 46 -18.275 -6.897 3.667 1.00 0.74 H new ATOM 0 HD1 PHE A 46 -15.745 -9.460 3.809 1.00 0.72 H new ATOM 0 HD2 PHE A 46 -16.860 -5.845 1.854 1.00 0.64 H new ATOM 0 HE1 PHE A 46 -14.223 -9.992 1.958 1.00 0.66 H new ATOM 0 HE2 PHE A 46 -15.333 -6.370 0.005 1.00 0.58 H new ATOM 0 HZ PHE A 46 -14.013 -8.449 0.051 1.00 0.54 H new ATOM 733 N VAL A 47 -18.541 -6.400 6.757 1.00 0.81 N ATOM 734 CA VAL A 47 -19.700 -5.928 7.504 1.00 0.88 C ATOM 735 C VAL A 47 -19.301 -4.938 8.603 1.00 0.87 C ATOM 736 O VAL A 47 -20.018 -3.969 8.866 1.00 0.92 O ATOM 737 CB VAL A 47 -20.496 -7.109 8.105 1.00 0.97 C ATOM 738 CG1 VAL A 47 -19.622 -7.960 9.011 1.00 0.98 C ATOM 739 CG2 VAL A 47 -21.724 -6.605 8.840 1.00 1.07 C ATOM 0 H VAL A 47 -18.246 -7.348 6.989 1.00 0.81 H new ATOM 0 HA VAL A 47 -20.343 -5.403 6.798 1.00 0.88 H new ATOM 0 HB VAL A 47 -20.829 -7.745 7.285 1.00 0.97 H new ATOM 0 HG11 VAL A 47 -20.211 -8.782 9.418 1.00 0.98 H new ATOM 0 HG12 VAL A 47 -18.786 -8.362 8.438 1.00 0.98 H new ATOM 0 HG13 VAL A 47 -19.241 -7.348 9.828 1.00 0.98 H new ATOM 0 HG21 VAL A 47 -22.272 -7.451 9.256 1.00 1.07 H new ATOM 0 HG22 VAL A 47 -21.417 -5.939 9.646 1.00 1.07 H new ATOM 0 HG23 VAL A 47 -22.366 -6.063 8.146 1.00 1.07 H new ATOM 749 N ASN A 48 -18.146 -5.166 9.222 1.00 0.86 N ATOM 750 CA ASN A 48 -17.672 -4.313 10.310 1.00 0.90 C ATOM 751 C ASN A 48 -17.211 -2.956 9.790 1.00 0.82 C ATOM 752 O ASN A 48 -17.493 -1.920 10.395 1.00 0.91 O ATOM 753 CB ASN A 48 -16.533 -5.001 11.073 1.00 0.96 C ATOM 754 CG ASN A 48 -15.893 -4.103 12.118 1.00 1.07 C ATOM 755 OD1 ASN A 48 -14.918 -3.408 11.841 1.00 1.50 O ATOM 756 ND2 ASN A 48 -16.439 -4.109 13.322 1.00 1.66 N ATOM 0 H ASN A 48 -17.519 -5.936 8.989 1.00 0.86 H new ATOM 0 HA ASN A 48 -18.507 -4.148 10.991 1.00 0.90 H new ATOM 0 HB2 ASN A 48 -16.918 -5.898 11.559 1.00 0.96 H new ATOM 0 HB3 ASN A 48 -15.771 -5.325 10.364 1.00 0.96 H new ATOM 0 HD21 ASN A 48 -16.051 -3.522 14.061 1.00 1.66 H new ATOM 0 HD22 ASN A 48 -17.248 -4.700 13.512 1.00 1.66 H new ATOM 763 N ARG A 49 -16.506 -2.961 8.668 1.00 0.69 N ATOM 764 CA ARG A 49 -16.025 -1.724 8.067 1.00 0.63 C ATOM 765 C ARG A 49 -17.085 -1.108 7.164 1.00 0.58 C ATOM 766 O ARG A 49 -16.999 0.060 6.800 1.00 0.57 O ATOM 767 CB ARG A 49 -14.755 -1.976 7.262 1.00 0.59 C ATOM 768 CG ARG A 49 -13.505 -2.176 8.102 1.00 0.92 C ATOM 769 CD ARG A 49 -12.335 -2.625 7.240 1.00 1.01 C ATOM 770 NE ARG A 49 -11.060 -2.593 7.962 1.00 1.28 N ATOM 771 CZ ARG A 49 -9.958 -3.238 7.565 1.00 1.45 C ATOM 772 NH1 ARG A 49 -10.000 -4.057 6.520 1.00 1.66 N ATOM 773 NH2 ARG A 49 -8.819 -3.082 8.222 1.00 2.00 N ATOM 0 H ARG A 49 -16.254 -3.806 8.155 1.00 0.69 H new ATOM 0 HA ARG A 49 -15.804 -1.028 8.876 1.00 0.63 H new ATOM 0 HB2 ARG A 49 -14.904 -2.858 6.639 1.00 0.59 H new ATOM 0 HB3 ARG A 49 -14.594 -1.134 6.589 1.00 0.59 H new ATOM 0 HG2 ARG A 49 -13.251 -1.246 8.610 1.00 0.92 H new ATOM 0 HG3 ARG A 49 -13.698 -2.919 8.876 1.00 0.92 H new ATOM 0 HD2 ARG A 49 -12.520 -3.637 6.881 1.00 1.01 H new ATOM 0 HD3 ARG A 49 -12.268 -1.983 6.362 1.00 1.01 H new ATOM 0 HE ARG A 49 -11.010 -2.045 8.821 1.00 1.28 H new ATOM 0 HH11 ARG A 49 -10.876 -4.196 6.016 1.00 1.66 H new ATOM 0 HH12 ARG A 49 -9.156 -4.546 6.221 1.00 1.66 H new ATOM 0 HH21 ARG A 49 -8.779 -2.467 9.035 1.00 2.00 H new ATOM 0 HH22 ARG A 49 -7.981 -3.576 7.915 1.00 2.00 H new ATOM 787 N ASN A 50 -18.088 -1.913 6.810 1.00 0.60 N ATOM 788 CA ASN A 50 -19.120 -1.523 5.840 1.00 0.63 C ATOM 789 C ASN A 50 -18.503 -1.387 4.455 1.00 0.54 C ATOM 790 O ASN A 50 -19.108 -0.842 3.537 1.00 0.61 O ATOM 791 CB ASN A 50 -19.818 -0.215 6.237 1.00 0.71 C ATOM 792 CG ASN A 50 -20.612 -0.337 7.523 1.00 1.46 C ATOM 793 OD1 ASN A 50 -21.776 -0.738 7.511 1.00 2.26 O ATOM 794 ND2 ASN A 50 -19.997 0.022 8.638 1.00 2.05 N ATOM 0 H ASN A 50 -18.210 -2.853 7.186 1.00 0.60 H new ATOM 0 HA ASN A 50 -19.877 -2.307 5.829 1.00 0.63 H new ATOM 0 HB2 ASN A 50 -19.070 0.570 6.351 1.00 0.71 H new ATOM 0 HB3 ASN A 50 -20.485 0.094 5.432 1.00 0.71 H new ATOM 0 HD21 ASN A 50 -20.488 -0.028 9.530 1.00 2.05 H new ATOM 0 HD22 ASN A 50 -19.031 0.349 8.605 1.00 2.05 H new ATOM 801 N GLY A 51 -17.286 -1.893 4.327 1.00 0.46 N ATOM 802 CA GLY A 51 -16.554 -1.817 3.079 1.00 0.41 C ATOM 803 C GLY A 51 -15.775 -0.525 2.950 1.00 0.33 C ATOM 804 O GLY A 51 -14.880 -0.412 2.115 1.00 0.34 O ATOM 0 H GLY A 51 -16.784 -2.363 5.080 1.00 0.46 H new ATOM 0 HA2 GLY A 51 -15.868 -2.661 3.010 1.00 0.41 H new ATOM 0 HA3 GLY A 51 -17.251 -1.904 2.245 1.00 0.41 H new ATOM 808 N LYS A 52 -16.100 0.443 3.791 1.00 0.29 N ATOM 809 CA LYS A 52 -15.405 1.717 3.792 1.00 0.29 C ATOM 810 C LYS A 52 -14.496 1.830 5.011 1.00 0.30 C ATOM 811 O LYS A 52 -14.946 1.682 6.143 1.00 0.36 O ATOM 812 CB LYS A 52 -16.412 2.874 3.753 1.00 0.34 C ATOM 813 CG LYS A 52 -17.482 2.808 4.831 1.00 1.14 C ATOM 814 CD LYS A 52 -18.371 4.038 4.794 1.00 1.28 C ATOM 815 CE LYS A 52 -17.660 5.269 5.337 1.00 1.67 C ATOM 816 NZ LYS A 52 -17.329 5.131 6.778 1.00 2.43 N ATOM 0 H LYS A 52 -16.844 0.369 4.484 1.00 0.29 H new ATOM 0 HA LYS A 52 -14.783 1.774 2.899 1.00 0.29 H new ATOM 0 HB2 LYS A 52 -15.871 3.815 3.852 1.00 0.34 H new ATOM 0 HB3 LYS A 52 -16.897 2.886 2.777 1.00 0.34 H new ATOM 0 HG2 LYS A 52 -18.088 1.913 4.692 1.00 1.14 H new ATOM 0 HG3 LYS A 52 -17.011 2.725 5.811 1.00 1.14 H new ATOM 0 HD2 LYS A 52 -18.689 4.225 3.768 1.00 1.28 H new ATOM 0 HD3 LYS A 52 -19.272 3.852 5.378 1.00 1.28 H new ATOM 0 HE2 LYS A 52 -16.745 5.439 4.770 1.00 1.67 H new ATOM 0 HE3 LYS A 52 -18.292 6.145 5.193 1.00 1.67 H new ATOM 0 HZ1 LYS A 52 -17.150 6.071 7.185 1.00 2.43 H new ATOM 0 HZ2 LYS A 52 -18.125 4.684 7.276 1.00 2.43 H new ATOM 0 HZ3 LYS A 52 -16.480 4.540 6.884 1.00 2.43 H new ATOM 830 N ASN A 53 -13.219 2.087 4.792 1.00 0.30 N ATOM 831 CA ASN A 53 -12.295 2.234 5.906 1.00 0.34 C ATOM 832 C ASN A 53 -11.254 3.301 5.620 1.00 0.27 C ATOM 833 O ASN A 53 -10.478 3.192 4.671 1.00 0.24 O ATOM 834 CB ASN A 53 -11.611 0.900 6.215 1.00 0.43 C ATOM 835 CG ASN A 53 -10.636 0.993 7.377 1.00 1.14 C ATOM 836 OD1 ASN A 53 -11.020 0.860 8.538 1.00 1.72 O ATOM 837 ND2 ASN A 53 -9.365 1.205 7.074 1.00 2.05 N ATOM 0 H ASN A 53 -12.801 2.197 3.868 1.00 0.30 H new ATOM 0 HA ASN A 53 -12.871 2.546 6.777 1.00 0.34 H new ATOM 0 HB2 ASN A 53 -12.370 0.152 6.443 1.00 0.43 H new ATOM 0 HB3 ASN A 53 -11.080 0.555 5.328 1.00 0.43 H new ATOM 0 HD21 ASN A 53 -8.667 1.263 7.815 1.00 2.05 H new ATOM 0 HD22 ASN A 53 -9.084 1.310 6.099 1.00 2.05 H new ATOM 844 N GLU A 54 -11.240 4.324 6.453 1.00 0.30 N ATOM 845 CA GLU A 54 -10.240 5.369 6.360 1.00 0.28 C ATOM 846 C GLU A 54 -8.958 4.915 7.035 1.00 0.28 C ATOM 847 O GLU A 54 -8.976 4.345 8.128 1.00 0.40 O ATOM 848 CB GLU A 54 -10.758 6.656 6.994 1.00 0.33 C ATOM 849 CG GLU A 54 -11.809 7.354 6.149 1.00 0.35 C ATOM 850 CD GLU A 54 -12.618 8.354 6.942 1.00 0.87 C ATOM 851 OE1 GLU A 54 -13.803 8.087 7.223 1.00 1.15 O ATOM 852 OE2 GLU A 54 -12.066 9.418 7.287 1.00 1.47 O ATOM 0 H GLU A 54 -11.915 4.453 7.207 1.00 0.30 H new ATOM 0 HA GLU A 54 -10.030 5.569 5.309 1.00 0.28 H new ATOM 0 HB2 GLU A 54 -11.180 6.428 7.973 1.00 0.33 H new ATOM 0 HB3 GLU A 54 -9.922 7.336 7.158 1.00 0.33 H new ATOM 0 HG2 GLU A 54 -11.322 7.863 5.317 1.00 0.35 H new ATOM 0 HG3 GLU A 54 -12.479 6.609 5.719 1.00 0.35 H new ATOM 859 N LEU A 55 -7.853 5.151 6.358 1.00 0.21 N ATOM 860 CA LEU A 55 -6.555 4.697 6.816 1.00 0.22 C ATOM 861 C LEU A 55 -5.857 5.755 7.643 1.00 0.24 C ATOM 862 O LEU A 55 -5.586 5.556 8.824 1.00 0.32 O ATOM 863 CB LEU A 55 -5.684 4.339 5.619 1.00 0.21 C ATOM 864 CG LEU A 55 -5.904 2.946 5.048 1.00 0.20 C ATOM 865 CD1 LEU A 55 -5.227 2.825 3.700 1.00 0.45 C ATOM 866 CD2 LEU A 55 -5.368 1.900 6.009 1.00 0.54 C ATOM 0 H LEU A 55 -7.829 5.662 5.476 1.00 0.21 H new ATOM 0 HA LEU A 55 -6.710 3.819 7.443 1.00 0.22 H new ATOM 0 HB2 LEU A 55 -5.862 5.069 4.830 1.00 0.21 H new ATOM 0 HB3 LEU A 55 -4.638 4.433 5.911 1.00 0.21 H new ATOM 0 HG LEU A 55 -6.973 2.780 4.915 1.00 0.20 H new ATOM 0 HD11 LEU A 55 -5.390 1.824 3.299 1.00 0.45 H new ATOM 0 HD12 LEU A 55 -5.645 3.563 3.015 1.00 0.45 H new ATOM 0 HD13 LEU A 55 -4.157 3.001 3.813 1.00 0.45 H new ATOM 0 HD21 LEU A 55 -5.530 0.906 5.592 1.00 0.54 H new ATOM 0 HD22 LEU A 55 -4.301 2.060 6.163 1.00 0.54 H new ATOM 0 HD23 LEU A 55 -5.888 1.982 6.963 1.00 0.54 H new ATOM 878 N ILE A 56 -5.579 6.877 7.014 1.00 0.21 N ATOM 879 CA ILE A 56 -4.757 7.905 7.616 1.00 0.22 C ATOM 880 C ILE A 56 -5.212 9.271 7.110 1.00 0.22 C ATOM 881 O ILE A 56 -5.738 9.369 6.003 1.00 0.22 O ATOM 882 CB ILE A 56 -3.275 7.652 7.264 1.00 0.21 C ATOM 883 CG1 ILE A 56 -2.349 8.496 8.138 1.00 0.23 C ATOM 884 CG2 ILE A 56 -3.030 7.950 5.792 1.00 0.18 C ATOM 885 CD1 ILE A 56 -0.896 8.088 8.049 1.00 0.25 C ATOM 0 H ILE A 56 -5.914 7.102 6.077 1.00 0.21 H new ATOM 0 HA ILE A 56 -4.861 7.882 8.701 1.00 0.22 H new ATOM 0 HB ILE A 56 -3.053 6.602 7.456 1.00 0.21 H new ATOM 0 HG12 ILE A 56 -2.443 9.542 7.847 1.00 0.23 H new ATOM 0 HG13 ILE A 56 -2.676 8.423 9.175 1.00 0.23 H new ATOM 0 HG21 ILE A 56 -1.982 7.769 5.554 1.00 0.18 H new ATOM 0 HG22 ILE A 56 -3.659 7.303 5.180 1.00 0.18 H new ATOM 0 HG23 ILE A 56 -3.274 8.992 5.586 1.00 0.18 H new ATOM 0 HD11 ILE A 56 -0.298 8.730 8.695 1.00 0.25 H new ATOM 0 HD12 ILE A 56 -0.789 7.051 8.368 1.00 0.25 H new ATOM 0 HD13 ILE A 56 -0.552 8.188 7.019 1.00 0.25 H new ATOM 897 N ARG A 57 -5.028 10.317 7.903 1.00 0.26 N ATOM 898 CA ARG A 57 -5.562 11.623 7.541 1.00 0.27 C ATOM 899 C ARG A 57 -4.573 12.753 7.824 1.00 0.29 C ATOM 900 O ARG A 57 -3.523 12.543 8.432 1.00 0.34 O ATOM 901 CB ARG A 57 -6.885 11.866 8.275 1.00 0.37 C ATOM 902 CG ARG A 57 -6.738 12.045 9.777 1.00 0.49 C ATOM 903 CD ARG A 57 -6.905 13.499 10.176 1.00 0.88 C ATOM 904 NE ARG A 57 -6.720 13.708 11.607 1.00 1.34 N ATOM 905 CZ ARG A 57 -6.810 14.896 12.198 1.00 1.83 C ATOM 906 NH1 ARG A 57 -7.109 15.976 11.482 1.00 1.96 N ATOM 907 NH2 ARG A 57 -6.612 15.006 13.506 1.00 2.23 N ATOM 0 H ARG A 57 -4.521 10.290 8.788 1.00 0.26 H new ATOM 0 HA ARG A 57 -5.739 11.621 6.466 1.00 0.27 H new ATOM 0 HB2 ARG A 57 -7.361 12.754 7.859 1.00 0.37 H new ATOM 0 HB3 ARG A 57 -7.554 11.027 8.084 1.00 0.37 H new ATOM 0 HG2 ARG A 57 -7.481 11.436 10.293 1.00 0.49 H new ATOM 0 HG3 ARG A 57 -5.758 11.689 10.094 1.00 0.49 H new ATOM 0 HD2 ARG A 57 -6.187 14.108 9.627 1.00 0.88 H new ATOM 0 HD3 ARG A 57 -7.899 13.840 9.887 1.00 0.88 H new ATOM 0 HE ARG A 57 -6.509 12.897 12.188 1.00 1.34 H new ATOM 0 HH11 ARG A 57 -7.270 15.894 10.478 1.00 1.96 H new ATOM 0 HH12 ARG A 57 -7.178 16.886 11.937 1.00 1.96 H new ATOM 0 HH21 ARG A 57 -6.390 14.178 14.060 1.00 2.23 H new ATOM 0 HH22 ARG A 57 -6.681 15.918 13.957 1.00 2.23 H new ATOM 921 N ASN A 58 -4.944 13.948 7.364 1.00 0.30 N ATOM 922 CA ASN A 58 -4.139 15.161 7.492 1.00 0.33 C ATOM 923 C ASN A 58 -2.788 15.000 6.795 1.00 0.31 C ATOM 924 O ASN A 58 -1.739 15.356 7.333 1.00 0.33 O ATOM 925 CB ASN A 58 -3.954 15.545 8.964 1.00 0.39 C ATOM 926 CG ASN A 58 -3.321 16.919 9.140 1.00 0.46 C ATOM 927 OD1 ASN A 58 -2.509 17.134 10.040 1.00 1.01 O ATOM 928 ND2 ASN A 58 -3.714 17.871 8.302 1.00 1.40 N ATOM 0 H ASN A 58 -5.830 14.102 6.883 1.00 0.30 H new ATOM 0 HA ASN A 58 -4.676 15.971 6.999 1.00 0.33 H new ATOM 0 HB2 ASN A 58 -4.923 15.530 9.463 1.00 0.39 H new ATOM 0 HB3 ASN A 58 -3.331 14.797 9.454 1.00 0.39 H new ATOM 0 HD21 ASN A 58 -3.341 18.816 8.393 1.00 1.40 H new ATOM 0 HD22 ASN A 58 -4.389 17.657 7.568 1.00 1.40 H new ATOM 935 N LEU A 59 -2.831 14.477 5.573 1.00 0.28 N ATOM 936 CA LEU A 59 -1.634 14.309 4.757 1.00 0.27 C ATOM 937 C LEU A 59 -1.077 15.673 4.351 1.00 0.33 C ATOM 938 O LEU A 59 0.050 15.794 3.871 1.00 0.33 O ATOM 939 CB LEU A 59 -1.969 13.482 3.514 1.00 0.24 C ATOM 940 CG LEU A 59 -2.705 12.165 3.792 1.00 0.20 C ATOM 941 CD1 LEU A 59 -2.967 11.402 2.503 1.00 0.19 C ATOM 942 CD2 LEU A 59 -1.921 11.305 4.762 1.00 0.20 C ATOM 0 H LEU A 59 -3.690 14.160 5.124 1.00 0.28 H new ATOM 0 HA LEU A 59 -0.876 13.785 5.339 1.00 0.27 H new ATOM 0 HB2 LEU A 59 -2.580 14.089 2.846 1.00 0.24 H new ATOM 0 HB3 LEU A 59 -1.043 13.259 2.984 1.00 0.24 H new ATOM 0 HG LEU A 59 -3.666 12.411 4.245 1.00 0.20 H new ATOM 0 HD11 LEU A 59 -3.490 10.473 2.730 1.00 0.19 H new ATOM 0 HD12 LEU A 59 -3.580 12.010 1.838 1.00 0.19 H new ATOM 0 HD13 LEU A 59 -2.019 11.175 2.015 1.00 0.19 H new ATOM 0 HD21 LEU A 59 -2.462 10.376 4.944 1.00 0.20 H new ATOM 0 HD22 LEU A 59 -0.943 11.078 4.338 1.00 0.20 H new ATOM 0 HD23 LEU A 59 -1.793 11.841 5.702 1.00 0.20 H new ATOM 954 N GLN A 60 -1.906 16.690 4.537 1.00 0.40 N ATOM 955 CA GLN A 60 -1.545 18.080 4.277 1.00 0.49 C ATOM 956 C GLN A 60 -0.266 18.513 4.994 1.00 0.51 C ATOM 957 O GLN A 60 0.609 19.132 4.394 1.00 0.53 O ATOM 958 CB GLN A 60 -2.668 18.974 4.759 1.00 0.62 C ATOM 959 CG GLN A 60 -2.403 20.460 4.576 1.00 0.81 C ATOM 960 CD GLN A 60 -3.392 21.319 5.335 1.00 1.00 C ATOM 961 OE1 GLN A 60 -3.905 20.918 6.381 1.00 1.76 O ATOM 962 NE2 GLN A 60 -3.671 22.501 4.817 1.00 1.27 N ATOM 0 H GLN A 60 -2.861 16.574 4.877 1.00 0.40 H new ATOM 0 HA GLN A 60 -1.376 18.168 3.204 1.00 0.49 H new ATOM 0 HB2 GLN A 60 -3.581 18.711 4.226 1.00 0.62 H new ATOM 0 HB3 GLN A 60 -2.847 18.776 5.816 1.00 0.62 H new ATOM 0 HG2 GLN A 60 -1.392 20.690 4.913 1.00 0.81 H new ATOM 0 HG3 GLN A 60 -2.450 20.707 3.515 1.00 0.81 H new ATOM 0 HE21 GLN A 60 -3.224 22.796 3.949 1.00 1.27 H new ATOM 0 HE22 GLN A 60 -4.333 23.120 5.285 1.00 1.27 H new ATOM 971 N SER A 61 -0.161 18.191 6.275 1.00 0.53 N ATOM 972 CA SER A 61 0.918 18.724 7.095 1.00 0.60 C ATOM 973 C SER A 61 2.171 17.872 6.977 1.00 0.48 C ATOM 974 O SER A 61 3.270 18.310 7.316 1.00 0.56 O ATOM 975 CB SER A 61 0.469 18.826 8.554 1.00 0.79 C ATOM 976 OG SER A 61 -0.009 17.579 9.031 1.00 1.59 O ATOM 0 H SER A 61 -0.803 17.569 6.766 1.00 0.53 H new ATOM 0 HA SER A 61 1.162 19.722 6.732 1.00 0.60 H new ATOM 0 HB2 SER A 61 1.303 19.159 9.172 1.00 0.79 H new ATOM 0 HB3 SER A 61 -0.315 19.578 8.644 1.00 0.79 H new ATOM 0 HG SER A 61 -0.922 17.687 9.370 1.00 1.59 H new ATOM 982 N ASP A 62 1.997 16.664 6.477 1.00 0.41 N ATOM 983 CA ASP A 62 3.103 15.722 6.349 1.00 0.41 C ATOM 984 C ASP A 62 2.892 14.791 5.173 1.00 0.36 C ATOM 985 O ASP A 62 1.973 13.972 5.173 1.00 0.33 O ATOM 986 CB ASP A 62 3.272 14.897 7.627 1.00 0.52 C ATOM 987 CG ASP A 62 4.282 15.494 8.582 1.00 1.18 C ATOM 988 OD1 ASP A 62 3.861 16.088 9.596 1.00 1.92 O ATOM 989 OD2 ASP A 62 5.499 15.393 8.321 1.00 1.41 O ATOM 0 H ASP A 62 1.099 16.307 6.151 1.00 0.41 H new ATOM 0 HA ASP A 62 4.008 16.306 6.181 1.00 0.41 H new ATOM 0 HB2 ASP A 62 2.309 14.814 8.130 1.00 0.52 H new ATOM 0 HB3 ASP A 62 3.582 13.886 7.363 1.00 0.52 H new ATOM 994 N LYS A 63 3.759 14.917 4.174 1.00 0.39 N ATOM 995 CA LYS A 63 3.701 14.064 2.995 1.00 0.40 C ATOM 996 C LYS A 63 3.862 12.617 3.380 1.00 0.33 C ATOM 997 O LYS A 63 3.183 11.737 2.860 1.00 0.30 O ATOM 998 CB LYS A 63 4.805 14.397 2.012 1.00 0.52 C ATOM 999 CG LYS A 63 4.775 15.815 1.516 1.00 1.06 C ATOM 1000 CD LYS A 63 5.259 15.894 0.074 1.00 1.18 C ATOM 1001 CE LYS A 63 6.620 15.237 -0.110 1.00 1.00 C ATOM 1002 NZ LYS A 63 7.687 15.916 0.673 1.00 1.68 N ATOM 0 H LYS A 63 4.512 15.604 4.159 1.00 0.39 H new ATOM 0 HA LYS A 63 2.729 14.237 2.533 1.00 0.40 H new ATOM 0 HB2 LYS A 63 5.768 14.209 2.486 1.00 0.52 H new ATOM 0 HB3 LYS A 63 4.733 13.723 1.159 1.00 0.52 H new ATOM 0 HG2 LYS A 63 3.761 16.208 1.586 1.00 1.06 H new ATOM 0 HG3 LYS A 63 5.404 16.440 2.150 1.00 1.06 H new ATOM 0 HD2 LYS A 63 4.532 15.410 -0.579 1.00 1.18 H new ATOM 0 HD3 LYS A 63 5.317 16.939 -0.232 1.00 1.18 H new ATOM 0 HE2 LYS A 63 6.560 14.192 0.193 1.00 1.00 H new ATOM 0 HE3 LYS A 63 6.886 15.248 -1.167 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 8.597 15.443 0.502 1.00 1.68 H new ATOM 0 HZ2 LYS A 63 7.753 16.911 0.379 1.00 1.68 H new ATOM 0 HZ3 LYS A 63 7.457 15.869 1.686 1.00 1.68 H new ATOM 1016 N LYS A 64 4.786 12.391 4.292 1.00 0.34 N ATOM 1017 CA LYS A 64 5.170 11.045 4.689 1.00 0.33 C ATOM 1018 C LYS A 64 3.993 10.256 5.257 1.00 0.27 C ATOM 1019 O LYS A 64 4.014 9.026 5.279 1.00 0.27 O ATOM 1020 CB LYS A 64 6.305 11.086 5.709 1.00 0.40 C ATOM 1021 CG LYS A 64 7.595 11.701 5.179 1.00 0.42 C ATOM 1022 CD LYS A 64 8.022 11.085 3.857 1.00 0.38 C ATOM 1023 CE LYS A 64 9.355 11.644 3.382 1.00 0.51 C ATOM 1024 NZ LYS A 64 10.485 11.207 4.244 1.00 1.07 N ATOM 0 H LYS A 64 5.292 13.130 4.779 1.00 0.34 H new ATOM 0 HA LYS A 64 5.512 10.534 3.789 1.00 0.33 H new ATOM 0 HB2 LYS A 64 5.976 11.652 6.580 1.00 0.40 H new ATOM 0 HB3 LYS A 64 6.511 10.071 6.048 1.00 0.40 H new ATOM 0 HG2 LYS A 64 7.458 12.775 5.050 1.00 0.42 H new ATOM 0 HG3 LYS A 64 8.389 11.567 5.914 1.00 0.42 H new ATOM 0 HD2 LYS A 64 8.099 10.003 3.967 1.00 0.38 H new ATOM 0 HD3 LYS A 64 7.258 11.275 3.103 1.00 0.38 H new ATOM 0 HE2 LYS A 64 9.537 11.323 2.356 1.00 0.51 H new ATOM 0 HE3 LYS A 64 9.308 12.733 3.372 1.00 0.51 H new ATOM 0 HZ1 LYS A 64 11.254 11.906 4.190 1.00 1.07 H new ATOM 0 HZ2 LYS A 64 10.160 11.126 5.228 1.00 1.07 H new ATOM 0 HZ3 LYS A 64 10.833 10.283 3.918 1.00 1.07 H new ATOM 1038 N LEU A 65 2.975 10.962 5.725 1.00 0.25 N ATOM 1039 CA LEU A 65 1.753 10.323 6.173 1.00 0.21 C ATOM 1040 C LEU A 65 1.088 9.558 5.030 1.00 0.17 C ATOM 1041 O LEU A 65 0.526 8.489 5.245 1.00 0.18 O ATOM 1042 CB LEU A 65 0.790 11.352 6.763 1.00 0.24 C ATOM 1043 CG LEU A 65 1.280 12.059 8.027 1.00 0.28 C ATOM 1044 CD1 LEU A 65 0.172 12.908 8.627 1.00 0.34 C ATOM 1045 CD2 LEU A 65 1.797 11.050 9.041 1.00 0.31 C ATOM 0 H LEU A 65 2.974 11.979 5.803 1.00 0.25 H new ATOM 0 HA LEU A 65 2.012 9.609 6.954 1.00 0.21 H new ATOM 0 HB2 LEU A 65 0.580 12.105 6.004 1.00 0.24 H new ATOM 0 HB3 LEU A 65 -0.154 10.855 6.988 1.00 0.24 H new ATOM 0 HG LEU A 65 2.105 12.718 7.754 1.00 0.28 H new ATOM 0 HD11 LEU A 65 0.539 13.403 9.526 1.00 0.34 H new ATOM 0 HD12 LEU A 65 -0.144 13.658 7.902 1.00 0.34 H new ATOM 0 HD13 LEU A 65 -0.675 12.272 8.884 1.00 0.34 H new ATOM 0 HD21 LEU A 65 2.141 11.574 9.933 1.00 0.31 H new ATOM 0 HD22 LEU A 65 0.996 10.362 9.311 1.00 0.31 H new ATOM 0 HD23 LEU A 65 2.625 10.490 8.607 1.00 0.31 H new ATOM 1057 N PHE A 66 1.163 10.094 3.810 1.00 0.15 N ATOM 1058 CA PHE A 66 0.659 9.378 2.645 1.00 0.13 C ATOM 1059 C PHE A 66 1.489 8.119 2.427 1.00 0.14 C ATOM 1060 O PHE A 66 0.960 7.077 2.056 1.00 0.15 O ATOM 1061 CB PHE A 66 0.688 10.276 1.394 1.00 0.14 C ATOM 1062 CG PHE A 66 0.250 9.592 0.118 1.00 0.14 C ATOM 1063 CD1 PHE A 66 -0.771 8.657 0.124 1.00 0.13 C ATOM 1064 CD2 PHE A 66 0.866 9.889 -1.087 1.00 0.20 C ATOM 1065 CE1 PHE A 66 -1.169 8.028 -1.042 1.00 0.15 C ATOM 1066 CE2 PHE A 66 0.471 9.267 -2.256 1.00 0.24 C ATOM 1067 CZ PHE A 66 -0.547 8.336 -2.234 1.00 0.21 C ATOM 0 H PHE A 66 1.563 11.010 3.608 1.00 0.15 H new ATOM 0 HA PHE A 66 -0.378 9.095 2.823 1.00 0.13 H new ATOM 0 HB2 PHE A 66 0.045 11.139 1.567 1.00 0.14 H new ATOM 0 HB3 PHE A 66 1.701 10.655 1.258 1.00 0.14 H new ATOM 0 HD1 PHE A 66 -1.265 8.415 1.054 1.00 0.13 H new ATOM 0 HD2 PHE A 66 1.665 10.616 -1.113 1.00 0.20 H new ATOM 0 HE1 PHE A 66 -1.964 7.298 -1.019 1.00 0.15 H new ATOM 0 HE2 PHE A 66 0.960 9.510 -3.188 1.00 0.24 H new ATOM 0 HZ PHE A 66 -0.856 7.850 -3.148 1.00 0.21 H new ATOM 1077 N TYR A 67 2.784 8.215 2.710 1.00 0.16 N ATOM 1078 CA TYR A 67 3.687 7.082 2.541 1.00 0.18 C ATOM 1079 C TYR A 67 3.272 5.967 3.490 1.00 0.16 C ATOM 1080 O TYR A 67 3.058 4.826 3.088 1.00 0.18 O ATOM 1081 CB TYR A 67 5.147 7.453 2.838 1.00 0.22 C ATOM 1082 CG TYR A 67 5.750 8.519 1.951 1.00 0.26 C ATOM 1083 CD1 TYR A 67 5.039 9.655 1.621 1.00 0.25 C ATOM 1084 CD2 TYR A 67 7.054 8.409 1.490 1.00 0.33 C ATOM 1085 CE1 TYR A 67 5.596 10.654 0.860 1.00 0.29 C ATOM 1086 CE2 TYR A 67 7.621 9.402 0.713 1.00 0.37 C ATOM 1087 CZ TYR A 67 6.885 10.525 0.404 1.00 0.35 C ATOM 1088 OH TYR A 67 7.439 11.528 -0.358 1.00 0.40 O ATOM 0 H TYR A 67 3.231 9.064 3.057 1.00 0.16 H new ATOM 0 HA TYR A 67 3.621 6.763 1.501 1.00 0.18 H new ATOM 0 HB2 TYR A 67 5.213 7.788 3.873 1.00 0.22 H new ATOM 0 HB3 TYR A 67 5.755 6.552 2.755 1.00 0.22 H new ATOM 0 HD1 TYR A 67 4.022 9.761 1.969 1.00 0.25 H new ATOM 0 HD2 TYR A 67 7.635 7.534 1.742 1.00 0.33 H new ATOM 0 HE1 TYR A 67 5.022 11.537 0.621 1.00 0.29 H new ATOM 0 HE2 TYR A 67 8.633 9.298 0.351 1.00 0.37 H new ATOM 0 HH TYR A 67 8.407 11.555 -0.209 1.00 0.40 H new ATOM 1098 N SER A 68 3.178 6.319 4.765 1.00 0.15 N ATOM 1099 CA SER A 68 2.760 5.391 5.798 1.00 0.18 C ATOM 1100 C SER A 68 1.336 4.900 5.546 1.00 0.17 C ATOM 1101 O SER A 68 1.015 3.748 5.808 1.00 0.20 O ATOM 1102 CB SER A 68 2.860 6.060 7.173 1.00 0.26 C ATOM 1103 OG SER A 68 2.570 5.149 8.224 1.00 1.22 O ATOM 0 H SER A 68 3.390 7.256 5.109 1.00 0.15 H new ATOM 0 HA SER A 68 3.423 4.526 5.775 1.00 0.18 H new ATOM 0 HB2 SER A 68 3.863 6.464 7.309 1.00 0.26 H new ATOM 0 HB3 SER A 68 2.168 6.901 7.219 1.00 0.26 H new ATOM 0 HG SER A 68 2.672 4.230 7.898 1.00 1.22 H new ATOM 1109 N GLY A 69 0.479 5.773 5.040 1.00 0.16 N ATOM 1110 CA GLY A 69 -0.852 5.349 4.666 1.00 0.17 C ATOM 1111 C GLY A 69 -0.804 4.239 3.635 1.00 0.16 C ATOM 1112 O GLY A 69 -1.620 3.317 3.656 1.00 0.17 O ATOM 0 H GLY A 69 0.680 6.761 4.883 1.00 0.16 H new ATOM 0 HA2 GLY A 69 -1.389 5.005 5.550 1.00 0.17 H new ATOM 0 HA3 GLY A 69 -1.408 6.197 4.266 1.00 0.17 H new ATOM 1116 N ILE A 70 0.170 4.335 2.739 1.00 0.15 N ATOM 1117 CA ILE A 70 0.429 3.298 1.760 1.00 0.16 C ATOM 1118 C ILE A 70 0.856 1.993 2.437 1.00 0.16 C ATOM 1119 O ILE A 70 0.343 0.931 2.103 1.00 0.17 O ATOM 1120 CB ILE A 70 1.518 3.745 0.765 1.00 0.16 C ATOM 1121 CG1 ILE A 70 1.022 4.947 -0.040 1.00 0.16 C ATOM 1122 CG2 ILE A 70 1.907 2.599 -0.155 1.00 0.17 C ATOM 1123 CD1 ILE A 70 2.059 5.534 -0.972 1.00 0.18 C ATOM 0 H ILE A 70 0.800 5.135 2.674 1.00 0.15 H new ATOM 0 HA ILE A 70 -0.499 3.122 1.217 1.00 0.16 H new ATOM 0 HB ILE A 70 2.407 4.041 1.322 1.00 0.16 H new ATOM 0 HG12 ILE A 70 0.152 4.646 -0.624 1.00 0.16 H new ATOM 0 HG13 ILE A 70 0.689 5.722 0.651 1.00 0.16 H new ATOM 0 HG21 ILE A 70 2.677 2.935 -0.850 1.00 0.17 H new ATOM 0 HG22 ILE A 70 2.291 1.770 0.439 1.00 0.17 H new ATOM 0 HG23 ILE A 70 1.032 2.269 -0.715 1.00 0.17 H new ATOM 0 HD11 ILE A 70 1.630 6.382 -1.506 1.00 0.18 H new ATOM 0 HD12 ILE A 70 2.920 5.868 -0.394 1.00 0.18 H new ATOM 0 HD13 ILE A 70 2.375 4.776 -1.689 1.00 0.18 H new ATOM 1135 N CYS A 71 1.782 2.064 3.402 1.00 0.17 N ATOM 1136 CA CYS A 71 2.252 0.851 4.073 1.00 0.18 C ATOM 1137 C CYS A 71 1.104 0.199 4.827 1.00 0.17 C ATOM 1138 O CYS A 71 0.978 -1.023 4.853 1.00 0.17 O ATOM 1139 CB CYS A 71 3.427 1.123 5.027 1.00 0.21 C ATOM 1140 SG CYS A 71 3.013 1.966 6.572 1.00 1.10 S ATOM 0 H CYS A 71 2.211 2.930 3.728 1.00 0.17 H new ATOM 0 HA CYS A 71 2.618 0.174 3.301 1.00 0.18 H new ATOM 0 HB2 CYS A 71 3.899 0.171 5.271 1.00 0.21 H new ATOM 0 HB3 CYS A 71 4.169 1.721 4.497 1.00 0.21 H new ATOM 0 HG CYS A 71 2.020 2.780 6.370 1.00 1.10 H new ATOM 1146 N GLN A 72 0.265 1.031 5.421 1.00 0.18 N ATOM 1147 CA GLN A 72 -0.940 0.564 6.101 1.00 0.19 C ATOM 1148 C GLN A 72 -1.906 -0.079 5.106 1.00 0.17 C ATOM 1149 O GLN A 72 -2.654 -0.991 5.454 1.00 0.20 O ATOM 1150 CB GLN A 72 -1.627 1.719 6.828 1.00 0.22 C ATOM 1151 CG GLN A 72 -0.785 2.329 7.940 1.00 0.28 C ATOM 1152 CD GLN A 72 -0.485 1.352 9.064 1.00 1.02 C ATOM 1153 OE1 GLN A 72 0.566 1.428 9.703 1.00 1.82 O ATOM 1154 NE2 GLN A 72 -1.408 0.436 9.327 1.00 1.56 N ATOM 0 H GLN A 72 0.395 2.042 5.448 1.00 0.18 H new ATOM 0 HA GLN A 72 -0.646 -0.186 6.835 1.00 0.19 H new ATOM 0 HB2 GLN A 72 -1.875 2.496 6.105 1.00 0.22 H new ATOM 0 HB3 GLN A 72 -2.567 1.364 7.250 1.00 0.22 H new ATOM 0 HG2 GLN A 72 0.154 2.690 7.520 1.00 0.28 H new ATOM 0 HG3 GLN A 72 -1.306 3.195 8.349 1.00 0.28 H new ATOM 0 HE21 GLN A 72 -2.266 0.404 8.776 1.00 1.56 H new ATOM 0 HE22 GLN A 72 -1.260 -0.236 10.080 1.00 1.56 H new ATOM 1163 N PHE A 73 -1.884 0.407 3.872 1.00 0.16 N ATOM 1164 CA PHE A 73 -2.693 -0.162 2.803 1.00 0.15 C ATOM 1165 C PHE A 73 -2.134 -1.516 2.371 1.00 0.15 C ATOM 1166 O PHE A 73 -2.854 -2.511 2.339 1.00 0.15 O ATOM 1167 CB PHE A 73 -2.742 0.802 1.612 1.00 0.14 C ATOM 1168 CG PHE A 73 -3.482 0.266 0.419 1.00 0.14 C ATOM 1169 CD1 PHE A 73 -2.794 -0.252 -0.662 1.00 0.19 C ATOM 1170 CD2 PHE A 73 -4.864 0.278 0.385 1.00 0.17 C ATOM 1171 CE1 PHE A 73 -3.471 -0.751 -1.756 1.00 0.20 C ATOM 1172 CE2 PHE A 73 -5.547 -0.219 -0.706 1.00 0.17 C ATOM 1173 CZ PHE A 73 -4.849 -0.711 -1.790 1.00 0.15 C ATOM 0 H PHE A 73 -1.310 1.200 3.586 1.00 0.16 H new ATOM 0 HA PHE A 73 -3.707 -0.313 3.174 1.00 0.15 H new ATOM 0 HB2 PHE A 73 -3.213 1.732 1.930 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -1.722 1.046 1.314 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -1.714 -0.266 -0.650 1.00 0.19 H new ATOM 0 HD2 PHE A 73 -5.415 0.681 1.222 1.00 0.17 H new ATOM 0 HE1 PHE A 73 -2.922 -1.173 -2.585 1.00 0.20 H new ATOM 0 HE2 PHE A 73 -6.627 -0.223 -0.712 1.00 0.17 H new ATOM 0 HZ PHE A 73 -5.380 -1.063 -2.662 1.00 0.15 H new ATOM 1183 N VAL A 74 -0.839 -1.552 2.060 1.00 0.17 N ATOM 1184 CA VAL A 74 -0.193 -2.788 1.621 1.00 0.19 C ATOM 1185 C VAL A 74 -0.207 -3.813 2.745 1.00 0.19 C ATOM 1186 O VAL A 74 -0.068 -5.014 2.511 1.00 0.21 O ATOM 1187 CB VAL A 74 1.271 -2.569 1.172 1.00 0.22 C ATOM 1188 CG1 VAL A 74 1.416 -1.275 0.413 1.00 0.28 C ATOM 1189 CG2 VAL A 74 2.235 -2.585 2.344 1.00 0.24 C ATOM 0 H VAL A 74 -0.219 -0.743 2.104 1.00 0.17 H new ATOM 0 HA VAL A 74 -0.761 -3.147 0.763 1.00 0.19 H new ATOM 0 HB VAL A 74 1.524 -3.400 0.514 1.00 0.22 H new ATOM 0 HG11 VAL A 74 2.455 -1.146 0.109 1.00 0.28 H new ATOM 0 HG12 VAL A 74 0.779 -1.299 -0.472 1.00 0.28 H new ATOM 0 HG13 VAL A 74 1.119 -0.443 1.052 1.00 0.28 H new ATOM 0 HG21 VAL A 74 3.251 -2.428 1.982 1.00 0.24 H new ATOM 0 HG22 VAL A 74 1.972 -1.791 3.043 1.00 0.24 H new ATOM 0 HG23 VAL A 74 2.176 -3.548 2.851 1.00 0.24 H new ATOM 1199 N LYS A 75 -0.323 -3.307 3.963 1.00 0.20 N ATOM 1200 CA LYS A 75 -0.439 -4.142 5.150 1.00 0.23 C ATOM 1201 C LYS A 75 -1.604 -5.111 5.024 1.00 0.24 C ATOM 1202 O LYS A 75 -1.449 -6.306 5.254 1.00 0.31 O ATOM 1203 CB LYS A 75 -0.627 -3.274 6.395 1.00 0.25 C ATOM 1204 CG LYS A 75 -1.146 -4.045 7.591 1.00 0.38 C ATOM 1205 CD LYS A 75 -1.587 -3.123 8.709 1.00 0.58 C ATOM 1206 CE LYS A 75 -2.315 -3.894 9.795 1.00 1.08 C ATOM 1207 NZ LYS A 75 -3.450 -4.686 9.247 1.00 1.85 N ATOM 0 H LYS A 75 -0.339 -2.306 4.157 1.00 0.20 H new ATOM 0 HA LYS A 75 0.483 -4.716 5.246 1.00 0.23 H new ATOM 0 HB2 LYS A 75 0.326 -2.813 6.655 1.00 0.25 H new ATOM 0 HB3 LYS A 75 -1.320 -2.465 6.164 1.00 0.25 H new ATOM 0 HG2 LYS A 75 -1.984 -4.670 7.284 1.00 0.38 H new ATOM 0 HG3 LYS A 75 -0.367 -4.714 7.958 1.00 0.38 H new ATOM 0 HD2 LYS A 75 -0.718 -2.621 9.135 1.00 0.58 H new ATOM 0 HD3 LYS A 75 -2.240 -2.347 8.309 1.00 0.58 H new ATOM 0 HE2 LYS A 75 -1.615 -4.562 10.297 1.00 1.08 H new ATOM 0 HE3 LYS A 75 -2.687 -3.198 10.547 1.00 1.08 H new ATOM 0 HZ1 LYS A 75 -4.215 -4.730 9.951 1.00 1.85 H new ATOM 0 HZ2 LYS A 75 -3.803 -4.233 8.380 1.00 1.85 H new ATOM 0 HZ3 LYS A 75 -3.127 -5.650 9.027 1.00 1.85 H new ATOM 1221 N GLU A 76 -2.756 -4.588 4.624 1.00 0.21 N ATOM 1222 CA GLU A 76 -3.968 -5.390 4.513 1.00 0.24 C ATOM 1223 C GLU A 76 -3.755 -6.523 3.526 1.00 0.24 C ATOM 1224 O GLU A 76 -4.254 -7.629 3.708 1.00 0.29 O ATOM 1225 CB GLU A 76 -5.136 -4.519 4.059 1.00 0.28 C ATOM 1226 CG GLU A 76 -5.374 -3.315 4.940 1.00 1.05 C ATOM 1227 CD GLU A 76 -5.666 -3.682 6.386 1.00 1.02 C ATOM 1228 OE1 GLU A 76 -6.792 -4.135 6.677 1.00 0.89 O ATOM 1229 OE2 GLU A 76 -4.767 -3.520 7.243 1.00 1.31 O ATOM 0 H GLU A 76 -2.877 -3.608 4.370 1.00 0.21 H new ATOM 0 HA GLU A 76 -4.200 -5.810 5.492 1.00 0.24 H new ATOM 0 HB2 GLU A 76 -4.951 -4.181 3.039 1.00 0.28 H new ATOM 0 HB3 GLU A 76 -6.042 -5.125 4.035 1.00 0.28 H new ATOM 0 HG2 GLU A 76 -4.497 -2.668 4.906 1.00 1.05 H new ATOM 0 HG3 GLU A 76 -6.210 -2.740 4.541 1.00 1.05 H new ATOM 1236 N ALA A 77 -2.988 -6.241 2.487 1.00 0.21 N ATOM 1237 CA ALA A 77 -2.665 -7.239 1.490 1.00 0.22 C ATOM 1238 C ALA A 77 -1.804 -8.357 2.082 1.00 0.22 C ATOM 1239 O ALA A 77 -1.882 -9.505 1.645 1.00 0.24 O ATOM 1240 CB ALA A 77 -1.980 -6.588 0.305 1.00 0.24 C ATOM 0 H ALA A 77 -2.577 -5.324 2.314 1.00 0.21 H new ATOM 0 HA ALA A 77 -3.593 -7.695 1.145 1.00 0.22 H new ATOM 0 HB1 ALA A 77 -1.741 -7.347 -0.439 1.00 0.24 H new ATOM 0 HB2 ALA A 77 -2.644 -5.844 -0.136 1.00 0.24 H new ATOM 0 HB3 ALA A 77 -1.062 -6.104 0.637 1.00 0.24 H new ATOM 1246 N LYS A 78 -0.993 -8.023 3.084 1.00 0.24 N ATOM 1247 CA LYS A 78 -0.202 -9.031 3.793 1.00 0.30 C ATOM 1248 C LYS A 78 -1.087 -9.767 4.792 1.00 0.31 C ATOM 1249 O LYS A 78 -0.763 -10.869 5.234 1.00 0.37 O ATOM 1250 CB LYS A 78 0.980 -8.417 4.560 1.00 0.42 C ATOM 1251 CG LYS A 78 1.539 -7.149 3.949 1.00 0.84 C ATOM 1252 CD LYS A 78 2.903 -6.793 4.521 1.00 0.72 C ATOM 1253 CE LYS A 78 3.405 -5.484 3.950 1.00 1.08 C ATOM 1254 NZ LYS A 78 3.223 -5.428 2.476 1.00 1.88 N ATOM 0 H LYS A 78 -0.866 -7.069 3.423 1.00 0.24 H new ATOM 0 HA LYS A 78 0.194 -9.711 3.039 1.00 0.30 H new ATOM 0 HB2 LYS A 78 0.662 -8.203 5.580 1.00 0.42 H new ATOM 0 HB3 LYS A 78 1.778 -9.157 4.623 1.00 0.42 H new ATOM 0 HG2 LYS A 78 1.620 -7.272 2.869 1.00 0.84 H new ATOM 0 HG3 LYS A 78 0.846 -6.326 4.125 1.00 0.84 H new ATOM 0 HD2 LYS A 78 2.838 -6.719 5.607 1.00 0.72 H new ATOM 0 HD3 LYS A 78 3.614 -7.588 4.297 1.00 0.72 H new ATOM 0 HE2 LYS A 78 2.872 -4.655 4.415 1.00 1.08 H new ATOM 0 HE3 LYS A 78 4.461 -5.361 4.192 1.00 1.08 H new ATOM 0 HZ1 LYS A 78 3.832 -4.685 2.079 1.00 1.88 H new ATOM 0 HZ2 LYS A 78 3.480 -6.346 2.059 1.00 1.88 H new ATOM 0 HZ3 LYS A 78 2.229 -5.215 2.257 1.00 1.88 H new ATOM 1268 N ASP A 79 -2.191 -9.127 5.159 1.00 0.31 N ATOM 1269 CA ASP A 79 -3.108 -9.656 6.157 1.00 0.36 C ATOM 1270 C ASP A 79 -4.027 -10.713 5.558 1.00 0.34 C ATOM 1271 O ASP A 79 -4.240 -11.768 6.155 1.00 0.38 O ATOM 1272 CB ASP A 79 -3.931 -8.524 6.769 1.00 0.41 C ATOM 1273 CG ASP A 79 -3.322 -7.970 8.044 1.00 1.12 C ATOM 1274 OD1 ASP A 79 -3.481 -8.590 9.112 1.00 1.77 O ATOM 1275 OD2 ASP A 79 -2.664 -6.906 7.983 1.00 1.60 O ATOM 0 H ASP A 79 -2.474 -8.227 4.772 1.00 0.31 H new ATOM 0 HA ASP A 79 -2.517 -10.130 6.940 1.00 0.36 H new ATOM 0 HB2 ASP A 79 -4.030 -7.719 6.041 1.00 0.41 H new ATOM 0 HB3 ASP A 79 -4.937 -8.887 6.981 1.00 0.41 H new ATOM 1280 N ILE A 80 -4.562 -10.436 4.373 1.00 0.30 N ATOM 1281 CA ILE A 80 -5.481 -11.371 3.723 1.00 0.32 C ATOM 1282 C ILE A 80 -4.706 -12.317 2.819 1.00 0.30 C ATOM 1283 O ILE A 80 -5.225 -13.332 2.350 1.00 0.33 O ATOM 1284 CB ILE A 80 -6.591 -10.636 2.920 1.00 0.32 C ATOM 1285 CG1 ILE A 80 -6.269 -10.523 1.419 1.00 0.29 C ATOM 1286 CG2 ILE A 80 -6.807 -9.252 3.508 1.00 0.33 C ATOM 1287 CD1 ILE A 80 -5.184 -9.530 1.073 1.00 0.22 C ATOM 0 H ILE A 80 -4.379 -9.582 3.846 1.00 0.30 H new ATOM 0 HA ILE A 80 -5.978 -11.945 4.505 1.00 0.32 H new ATOM 0 HB ILE A 80 -7.500 -11.232 3.003 1.00 0.32 H new ATOM 0 HG12 ILE A 80 -5.973 -11.505 1.051 1.00 0.29 H new ATOM 0 HG13 ILE A 80 -7.179 -10.245 0.887 1.00 0.29 H new ATOM 0 HG21 ILE A 80 -7.585 -8.735 2.946 1.00 0.33 H new ATOM 0 HG22 ILE A 80 -7.112 -9.343 4.550 1.00 0.33 H new ATOM 0 HG23 ILE A 80 -5.879 -8.683 3.450 1.00 0.33 H new ATOM 0 HD11 ILE A 80 -5.029 -9.522 -0.006 1.00 0.22 H new ATOM 0 HD12 ILE A 80 -5.482 -8.535 1.404 1.00 0.22 H new ATOM 0 HD13 ILE A 80 -4.257 -9.816 1.571 1.00 0.22 H new ATOM 1299 N LYS A 81 -3.448 -11.948 2.600 1.00 0.27 N ATOM 1300 CA LYS A 81 -2.495 -12.738 1.825 1.00 0.29 C ATOM 1301 C LYS A 81 -2.798 -12.669 0.333 1.00 0.29 C ATOM 1302 O LYS A 81 -2.890 -13.691 -0.348 1.00 0.39 O ATOM 1303 CB LYS A 81 -2.453 -14.197 2.305 1.00 0.36 C ATOM 1304 CG LYS A 81 -2.013 -14.355 3.752 1.00 0.39 C ATOM 1305 CD LYS A 81 -0.655 -13.724 3.995 1.00 0.40 C ATOM 1306 CE LYS A 81 -0.159 -13.980 5.406 1.00 0.53 C ATOM 1307 NZ LYS A 81 1.127 -13.282 5.672 1.00 1.47 N ATOM 0 H LYS A 81 -3.055 -11.079 2.961 1.00 0.27 H new ATOM 0 HA LYS A 81 -1.509 -12.303 1.988 1.00 0.29 H new ATOM 0 HB2 LYS A 81 -3.443 -14.637 2.186 1.00 0.36 H new ATOM 0 HB3 LYS A 81 -1.774 -14.761 1.665 1.00 0.36 H new ATOM 0 HG2 LYS A 81 -2.751 -13.896 4.410 1.00 0.39 H new ATOM 0 HG3 LYS A 81 -1.974 -15.414 4.007 1.00 0.39 H new ATOM 0 HD2 LYS A 81 0.064 -14.122 3.279 1.00 0.40 H new ATOM 0 HD3 LYS A 81 -0.717 -12.650 3.821 1.00 0.40 H new ATOM 0 HE2 LYS A 81 -0.910 -13.645 6.122 1.00 0.53 H new ATOM 0 HE3 LYS A 81 -0.030 -15.052 5.557 1.00 0.53 H new ATOM 0 HZ1 LYS A 81 1.694 -13.842 6.340 1.00 1.47 H new ATOM 0 HZ2 LYS A 81 1.652 -13.169 4.781 1.00 1.47 H new ATOM 0 HZ3 LYS A 81 0.935 -12.345 6.082 1.00 1.47 H new ATOM 1321 N GLY A 82 -2.918 -11.452 -0.171 1.00 0.23 N ATOM 1322 CA GLY A 82 -3.206 -11.250 -1.575 1.00 0.26 C ATOM 1323 C GLY A 82 -2.012 -10.742 -2.359 1.00 0.22 C ATOM 1324 O GLY A 82 -0.870 -11.147 -2.117 1.00 0.23 O ATOM 0 H GLY A 82 -2.820 -10.594 0.372 1.00 0.23 H new ATOM 0 HA2 GLY A 82 -3.545 -12.190 -2.009 1.00 0.26 H new ATOM 0 HA3 GLY A 82 -4.027 -10.539 -1.673 1.00 0.26 H new ATOM 1328 N LYS A 83 -2.292 -9.879 -3.326 1.00 0.18 N ATOM 1329 CA LYS A 83 -1.271 -9.236 -4.138 1.00 0.17 C ATOM 1330 C LYS A 83 -1.410 -7.722 -4.005 1.00 0.16 C ATOM 1331 O LYS A 83 -2.494 -7.231 -3.688 1.00 0.20 O ATOM 1332 CB LYS A 83 -1.406 -9.640 -5.609 1.00 0.19 C ATOM 1333 CG LYS A 83 -0.661 -10.917 -5.951 1.00 0.26 C ATOM 1334 CD LYS A 83 -1.306 -12.132 -5.310 1.00 0.30 C ATOM 1335 CE LYS A 83 -0.262 -13.156 -4.926 1.00 0.42 C ATOM 1336 NZ LYS A 83 0.435 -13.722 -6.116 1.00 1.06 N ATOM 0 H LYS A 83 -3.243 -9.604 -3.570 1.00 0.18 H new ATOM 0 HA LYS A 83 -0.289 -9.555 -3.787 1.00 0.17 H new ATOM 0 HB2 LYS A 83 -2.462 -9.768 -5.848 1.00 0.19 H new ATOM 0 HB3 LYS A 83 -1.033 -8.831 -6.237 1.00 0.19 H new ATOM 0 HG2 LYS A 83 -0.637 -11.046 -7.033 1.00 0.26 H new ATOM 0 HG3 LYS A 83 0.373 -10.835 -5.617 1.00 0.26 H new ATOM 0 HD2 LYS A 83 -1.866 -11.828 -4.426 1.00 0.30 H new ATOM 0 HD3 LYS A 83 -2.021 -12.577 -6.002 1.00 0.30 H new ATOM 0 HE2 LYS A 83 0.470 -12.695 -4.263 1.00 0.42 H new ATOM 0 HE3 LYS A 83 -0.735 -13.963 -4.366 1.00 0.42 H new ATOM 0 HZ1 LYS A 83 1.105 -14.456 -5.809 1.00 1.06 H new ATOM 0 HZ2 LYS A 83 -0.265 -14.141 -6.762 1.00 1.06 H new ATOM 0 HZ3 LYS A 83 0.951 -12.965 -6.608 1.00 1.06 H new ATOM 1350 N LEU A 84 -0.339 -6.984 -4.254 1.00 0.16 N ATOM 1351 CA LEU A 84 -0.397 -5.530 -4.175 1.00 0.15 C ATOM 1352 C LEU A 84 -0.196 -4.917 -5.560 1.00 0.15 C ATOM 1353 O LEU A 84 0.660 -5.362 -6.325 1.00 0.17 O ATOM 1354 CB LEU A 84 0.654 -5.014 -3.183 1.00 0.16 C ATOM 1355 CG LEU A 84 0.481 -3.563 -2.701 1.00 0.16 C ATOM 1356 CD1 LEU A 84 1.029 -2.574 -3.720 1.00 0.17 C ATOM 1357 CD2 LEU A 84 -0.984 -3.257 -2.404 1.00 0.15 C ATOM 0 H LEU A 84 0.573 -7.362 -4.510 1.00 0.16 H new ATOM 0 HA LEU A 84 -1.381 -5.231 -3.814 1.00 0.15 H new ATOM 0 HB2 LEU A 84 0.651 -5.667 -2.310 1.00 0.16 H new ATOM 0 HB3 LEU A 84 1.636 -5.106 -3.646 1.00 0.16 H new ATOM 0 HG LEU A 84 1.052 -3.455 -1.779 1.00 0.16 H new ATOM 0 HD11 LEU A 84 0.892 -1.558 -3.351 1.00 0.17 H new ATOM 0 HD12 LEU A 84 2.091 -2.763 -3.876 1.00 0.17 H new ATOM 0 HD13 LEU A 84 0.497 -2.692 -4.664 1.00 0.17 H new ATOM 0 HD21 LEU A 84 -1.079 -2.225 -2.065 1.00 0.15 H new ATOM 0 HD22 LEU A 84 -1.576 -3.398 -3.309 1.00 0.15 H new ATOM 0 HD23 LEU A 84 -1.346 -3.929 -1.626 1.00 0.15 H new ATOM 1369 N THR A 85 -1.001 -3.913 -5.881 1.00 0.16 N ATOM 1370 CA THR A 85 -0.902 -3.212 -7.153 1.00 0.17 C ATOM 1371 C THR A 85 -0.800 -1.705 -6.934 1.00 0.17 C ATOM 1372 O THR A 85 -1.601 -1.114 -6.210 1.00 0.21 O ATOM 1373 CB THR A 85 -2.122 -3.512 -8.048 1.00 0.19 C ATOM 1374 OG1 THR A 85 -2.168 -4.908 -8.348 1.00 0.20 O ATOM 1375 CG2 THR A 85 -2.083 -2.708 -9.348 1.00 0.20 C ATOM 0 H THR A 85 -1.738 -3.563 -5.269 1.00 0.16 H new ATOM 0 HA THR A 85 0.000 -3.567 -7.651 1.00 0.17 H new ATOM 0 HB THR A 85 -3.017 -3.219 -7.500 1.00 0.19 H new ATOM 0 HG1 THR A 85 -2.945 -5.095 -8.915 1.00 0.20 H new ATOM 0 HG21 THR A 85 -2.959 -2.948 -9.950 1.00 0.20 H new ATOM 0 HG22 THR A 85 -2.082 -1.643 -9.117 1.00 0.20 H new ATOM 0 HG23 THR A 85 -1.180 -2.960 -9.905 1.00 0.20 H new ATOM 1383 N LEU A 86 0.197 -1.096 -7.546 1.00 0.16 N ATOM 1384 CA LEU A 86 0.345 0.348 -7.506 1.00 0.18 C ATOM 1385 C LEU A 86 -0.289 0.974 -8.740 1.00 0.19 C ATOM 1386 O LEU A 86 0.270 0.900 -9.828 1.00 0.21 O ATOM 1387 CB LEU A 86 1.822 0.731 -7.458 1.00 0.22 C ATOM 1388 CG LEU A 86 2.092 2.223 -7.616 1.00 0.53 C ATOM 1389 CD1 LEU A 86 1.788 2.963 -6.321 1.00 1.45 C ATOM 1390 CD2 LEU A 86 3.522 2.449 -8.080 1.00 1.51 C ATOM 0 H LEU A 86 0.920 -1.580 -8.079 1.00 0.16 H new ATOM 0 HA LEU A 86 -0.154 0.717 -6.610 1.00 0.18 H new ATOM 0 HB2 LEU A 86 2.241 0.397 -6.509 1.00 0.22 H new ATOM 0 HB3 LEU A 86 2.350 0.193 -8.246 1.00 0.22 H new ATOM 0 HG LEU A 86 1.428 2.628 -8.380 1.00 0.53 H new ATOM 0 HD11 LEU A 86 1.987 4.026 -6.454 1.00 1.45 H new ATOM 0 HD12 LEU A 86 0.740 2.820 -6.058 1.00 1.45 H new ATOM 0 HD13 LEU A 86 2.419 2.573 -5.522 1.00 1.45 H new ATOM 0 HD21 LEU A 86 3.704 3.518 -8.190 1.00 1.51 H new ATOM 0 HD22 LEU A 86 4.213 2.037 -7.344 1.00 1.51 H new ATOM 0 HD23 LEU A 86 3.676 1.954 -9.039 1.00 1.51 H new ATOM 1402 N LEU A 87 -1.450 1.574 -8.573 1.00 0.20 N ATOM 1403 CA LEU A 87 -2.125 2.242 -9.674 1.00 0.23 C ATOM 1404 C LEU A 87 -1.425 3.551 -10.005 1.00 0.26 C ATOM 1405 O LEU A 87 -0.817 4.178 -9.137 1.00 0.25 O ATOM 1406 CB LEU A 87 -3.584 2.514 -9.324 1.00 0.23 C ATOM 1407 CG LEU A 87 -4.404 1.287 -8.936 1.00 0.21 C ATOM 1408 CD1 LEU A 87 -5.757 1.717 -8.409 1.00 0.22 C ATOM 1409 CD2 LEU A 87 -4.569 0.352 -10.123 1.00 0.24 C ATOM 0 H LEU A 87 -1.949 1.614 -7.684 1.00 0.20 H new ATOM 0 HA LEU A 87 -2.088 1.586 -10.544 1.00 0.23 H new ATOM 0 HB2 LEU A 87 -3.615 3.226 -8.500 1.00 0.23 H new ATOM 0 HB3 LEU A 87 -4.062 2.994 -10.178 1.00 0.23 H new ATOM 0 HG LEU A 87 -3.874 0.747 -8.152 1.00 0.21 H new ATOM 0 HD11 LEU A 87 -6.337 0.836 -8.134 1.00 0.22 H new ATOM 0 HD12 LEU A 87 -5.621 2.350 -7.532 1.00 0.22 H new ATOM 0 HD13 LEU A 87 -6.288 2.274 -9.181 1.00 0.22 H new ATOM 0 HD21 LEU A 87 -5.157 -0.516 -9.824 1.00 0.24 H new ATOM 0 HD22 LEU A 87 -5.081 0.876 -10.930 1.00 0.24 H new ATOM 0 HD23 LEU A 87 -3.588 0.025 -10.467 1.00 0.24 H new ATOM 1421 N GLN A 88 -1.492 3.958 -11.256 1.00 0.34 N ATOM 1422 CA GLN A 88 -0.905 5.218 -11.657 1.00 0.41 C ATOM 1423 C GLN A 88 -1.980 6.089 -12.282 1.00 0.47 C ATOM 1424 O GLN A 88 -2.755 5.615 -13.116 1.00 0.52 O ATOM 1425 CB GLN A 88 0.231 4.965 -12.649 1.00 0.50 C ATOM 1426 CG GLN A 88 1.144 6.159 -12.868 1.00 0.73 C ATOM 1427 CD GLN A 88 2.326 5.835 -13.763 1.00 1.23 C ATOM 1428 OE1 GLN A 88 3.415 6.387 -13.596 1.00 1.93 O ATOM 1429 NE2 GLN A 88 2.122 4.948 -14.725 1.00 1.78 N ATOM 0 H GLN A 88 -1.944 3.438 -12.008 1.00 0.34 H new ATOM 0 HA GLN A 88 -0.493 5.731 -10.788 1.00 0.41 H new ATOM 0 HB2 GLN A 88 0.828 4.125 -12.294 1.00 0.50 H new ATOM 0 HB3 GLN A 88 -0.197 4.669 -13.607 1.00 0.50 H new ATOM 0 HG2 GLN A 88 0.571 6.973 -13.311 1.00 0.73 H new ATOM 0 HG3 GLN A 88 1.509 6.514 -11.904 1.00 0.73 H new ATOM 0 HE21 GLN A 88 1.206 4.512 -14.831 1.00 1.78 H new ATOM 0 HE22 GLN A 88 2.881 4.700 -15.360 1.00 1.78 H new ATOM 1438 N HIS A 89 -1.992 7.363 -11.896 1.00 0.50 N ATOM 1439 CA HIS A 89 -3.048 8.301 -12.281 1.00 0.58 C ATOM 1440 C HIS A 89 -2.999 9.534 -11.384 1.00 0.56 C ATOM 1441 O HIS A 89 -2.792 10.653 -11.855 1.00 0.58 O ATOM 1442 CB HIS A 89 -4.441 7.656 -12.168 1.00 0.66 C ATOM 1443 CG HIS A 89 -5.575 8.554 -12.575 1.00 0.84 C ATOM 1444 ND1 HIS A 89 -6.091 8.585 -13.851 1.00 1.57 N ATOM 1445 CD2 HIS A 89 -6.293 9.453 -11.862 1.00 1.46 C ATOM 1446 CE1 HIS A 89 -7.078 9.460 -13.904 1.00 1.79 C ATOM 1447 NE2 HIS A 89 -7.221 10.001 -12.710 1.00 1.67 N ATOM 0 H HIS A 89 -1.269 7.776 -11.307 1.00 0.50 H new ATOM 0 HA HIS A 89 -2.878 8.584 -13.320 1.00 0.58 H new ATOM 0 HB2 HIS A 89 -4.464 6.759 -12.787 1.00 0.66 H new ATOM 0 HB3 HIS A 89 -4.598 7.337 -11.138 1.00 0.66 H new ATOM 0 HD2 HIS A 89 -6.160 9.694 -10.818 1.00 1.46 H new ATOM 0 HE1 HIS A 89 -7.669 9.693 -14.778 1.00 1.79 H new ATOM 0 HE2 HIS A 89 -7.909 10.711 -12.458 1.00 1.67 H new ATOM 1456 N PHE A 90 -3.193 9.315 -10.084 1.00 0.58 N ATOM 1457 CA PHE A 90 -3.286 10.404 -9.123 1.00 0.61 C ATOM 1458 C PHE A 90 -1.931 11.071 -8.890 1.00 0.61 C ATOM 1459 O PHE A 90 -1.862 12.210 -8.429 1.00 0.60 O ATOM 1460 CB PHE A 90 -3.845 9.869 -7.808 1.00 0.74 C ATOM 1461 CG PHE A 90 -4.227 10.945 -6.833 1.00 1.67 C ATOM 1462 CD1 PHE A 90 -3.395 11.264 -5.776 1.00 1.56 C ATOM 1463 CD2 PHE A 90 -5.419 11.638 -6.975 1.00 2.87 C ATOM 1464 CE1 PHE A 90 -3.741 12.252 -4.878 1.00 2.57 C ATOM 1465 CE2 PHE A 90 -5.770 12.630 -6.081 1.00 3.95 C ATOM 1466 CZ PHE A 90 -4.929 12.937 -5.030 1.00 3.79 C ATOM 0 H PHE A 90 -3.289 8.386 -9.674 1.00 0.58 H new ATOM 0 HA PHE A 90 -3.955 11.163 -9.529 1.00 0.61 H new ATOM 0 HB2 PHE A 90 -4.720 9.254 -8.019 1.00 0.74 H new ATOM 0 HB3 PHE A 90 -3.103 9.219 -7.346 1.00 0.74 H new ATOM 0 HD1 PHE A 90 -2.463 10.733 -5.652 1.00 1.56 H new ATOM 0 HD2 PHE A 90 -6.081 11.399 -7.794 1.00 2.87 H new ATOM 0 HE1 PHE A 90 -3.082 12.489 -4.056 1.00 2.57 H new ATOM 0 HE2 PHE A 90 -6.700 13.165 -6.204 1.00 3.95 H new ATOM 0 HZ PHE A 90 -5.200 13.712 -4.328 1.00 3.79 H new ATOM 1510 N PHE A 94 -1.161 14.732 -7.461 1.00 0.65 N ATOM 1511 CA PHE A 94 -0.573 14.890 -6.142 1.00 0.62 C ATOM 1512 C PHE A 94 0.937 15.031 -6.267 1.00 0.55 C ATOM 1513 O PHE A 94 1.557 14.370 -7.097 1.00 0.56 O ATOM 1514 CB PHE A 94 -0.918 13.683 -5.269 1.00 0.63 C ATOM 1515 CG PHE A 94 -1.124 14.014 -3.815 1.00 1.17 C ATOM 1516 CD1 PHE A 94 -0.435 13.324 -2.830 1.00 2.12 C ATOM 1517 CD2 PHE A 94 -1.990 15.026 -3.434 1.00 1.16 C ATOM 1518 CE1 PHE A 94 -0.606 13.633 -1.494 1.00 2.85 C ATOM 1519 CE2 PHE A 94 -2.166 15.338 -2.099 1.00 1.80 C ATOM 1520 CZ PHE A 94 -1.538 14.610 -1.130 1.00 2.62 C ATOM 0 HA PHE A 94 -0.977 15.788 -5.675 1.00 0.62 H new ATOM 0 HB2 PHE A 94 -1.824 13.216 -5.656 1.00 0.63 H new ATOM 0 HB3 PHE A 94 -0.118 12.947 -5.353 1.00 0.63 H new ATOM 0 HD1 PHE A 94 0.245 12.534 -3.111 1.00 2.12 H new ATOM 0 HD2 PHE A 94 -2.533 15.577 -4.188 1.00 1.16 H new ATOM 0 HE1 PHE A 94 -0.025 13.125 -0.738 1.00 2.85 H new ATOM 0 HE2 PHE A 94 -2.805 16.163 -1.821 1.00 1.80 H new ATOM 0 HZ PHE A 94 -1.760 14.788 -0.088 1.00 2.62 H new ATOM 1530 N PRO A 95 1.549 15.902 -5.454 1.00 0.57 N ATOM 1531 CA PRO A 95 2.993 16.134 -5.500 1.00 0.56 C ATOM 1532 C PRO A 95 3.808 14.980 -4.917 1.00 0.50 C ATOM 1533 O PRO A 95 5.041 15.032 -4.909 1.00 0.68 O ATOM 1534 CB PRO A 95 3.174 17.394 -4.652 1.00 0.61 C ATOM 1535 CG PRO A 95 2.031 17.371 -3.700 1.00 0.62 C ATOM 1536 CD PRO A 95 0.884 16.751 -4.448 1.00 0.69 C ATOM 0 HA PRO A 95 3.349 16.229 -6.526 1.00 0.56 H new ATOM 0 HB2 PRO A 95 4.129 17.384 -4.126 1.00 0.61 H new ATOM 0 HB3 PRO A 95 3.159 18.293 -5.269 1.00 0.61 H new ATOM 0 HG2 PRO A 95 2.276 16.791 -2.810 1.00 0.62 H new ATOM 0 HG3 PRO A 95 1.781 18.378 -3.366 1.00 0.62 H new ATOM 0 HD2 PRO A 95 0.244 16.165 -3.788 1.00 0.69 H new ATOM 0 HD3 PRO A 95 0.253 17.508 -4.915 1.00 0.69 H new ATOM 1544 N ILE A 96 3.136 13.940 -4.428 1.00 0.36 N ATOM 1545 CA ILE A 96 3.845 12.800 -3.866 1.00 0.29 C ATOM 1546 C ILE A 96 3.927 11.661 -4.869 1.00 0.31 C ATOM 1547 O ILE A 96 2.919 11.061 -5.237 1.00 0.34 O ATOM 1548 CB ILE A 96 3.212 12.270 -2.568 1.00 0.23 C ATOM 1549 CG1 ILE A 96 2.910 13.417 -1.610 1.00 0.29 C ATOM 1550 CG2 ILE A 96 4.166 11.289 -1.917 1.00 0.26 C ATOM 1551 CD1 ILE A 96 2.572 12.970 -0.204 1.00 0.24 C ATOM 0 H ILE A 96 2.119 13.865 -4.410 1.00 0.36 H new ATOM 0 HA ILE A 96 4.843 13.167 -3.627 1.00 0.29 H new ATOM 0 HB ILE A 96 2.273 11.770 -2.806 1.00 0.23 H new ATOM 0 HG12 ILE A 96 3.773 14.082 -1.572 1.00 0.29 H new ATOM 0 HG13 ILE A 96 2.077 13.998 -2.006 1.00 0.29 H new ATOM 0 HG21 ILE A 96 3.724 10.909 -0.996 1.00 0.26 H new ATOM 0 HG22 ILE A 96 4.356 10.459 -2.598 1.00 0.26 H new ATOM 0 HG23 ILE A 96 5.105 11.792 -1.688 1.00 0.26 H new ATOM 0 HD11 ILE A 96 2.370 13.843 0.417 1.00 0.24 H new ATOM 0 HD12 ILE A 96 1.690 12.330 -0.228 1.00 0.24 H new ATOM 0 HD13 ILE A 96 3.412 12.415 0.213 1.00 0.24 H new ATOM 1563 N LYS A 97 5.141 11.380 -5.307 1.00 0.35 N ATOM 1564 CA LYS A 97 5.404 10.273 -6.210 1.00 0.38 C ATOM 1565 C LYS A 97 6.407 9.343 -5.550 1.00 0.35 C ATOM 1566 O LYS A 97 7.443 9.796 -5.057 1.00 0.44 O ATOM 1567 CB LYS A 97 5.962 10.792 -7.533 1.00 0.50 C ATOM 1568 CG LYS A 97 5.133 11.905 -8.147 1.00 0.75 C ATOM 1569 CD LYS A 97 5.776 12.430 -9.414 1.00 0.78 C ATOM 1570 CE LYS A 97 5.089 13.691 -9.906 1.00 0.91 C ATOM 1571 NZ LYS A 97 5.729 14.219 -11.136 1.00 1.38 N ATOM 0 H LYS A 97 5.972 11.912 -5.047 1.00 0.35 H new ATOM 0 HA LYS A 97 4.478 9.736 -6.418 1.00 0.38 H new ATOM 0 HB2 LYS A 97 6.978 11.153 -7.373 1.00 0.50 H new ATOM 0 HB3 LYS A 97 6.026 9.965 -8.240 1.00 0.50 H new ATOM 0 HG2 LYS A 97 4.132 11.536 -8.370 1.00 0.75 H new ATOM 0 HG3 LYS A 97 5.021 12.717 -7.429 1.00 0.75 H new ATOM 0 HD2 LYS A 97 6.830 12.637 -9.229 1.00 0.78 H new ATOM 0 HD3 LYS A 97 5.733 11.665 -10.189 1.00 0.78 H new ATOM 0 HE2 LYS A 97 4.038 13.479 -10.104 1.00 0.91 H new ATOM 0 HE3 LYS A 97 5.119 14.451 -9.125 1.00 0.91 H new ATOM 0 HZ1 LYS A 97 5.233 15.080 -11.443 1.00 1.38 H new ATOM 0 HZ2 LYS A 97 6.725 14.444 -10.940 1.00 1.38 H new ATOM 0 HZ3 LYS A 97 5.678 13.503 -11.889 1.00 1.38 H new ATOM 1585 N VAL A 98 6.120 8.051 -5.534 1.00 0.30 N ATOM 1586 CA VAL A 98 6.910 7.123 -4.735 1.00 0.26 C ATOM 1587 C VAL A 98 7.100 5.774 -5.418 1.00 0.28 C ATOM 1588 O VAL A 98 6.450 5.468 -6.419 1.00 0.33 O ATOM 1589 CB VAL A 98 6.263 6.902 -3.353 1.00 0.21 C ATOM 1590 CG1 VAL A 98 6.366 8.163 -2.509 1.00 0.25 C ATOM 1591 CG2 VAL A 98 4.808 6.480 -3.507 1.00 0.21 C ATOM 0 H VAL A 98 5.356 7.623 -6.057 1.00 0.30 H new ATOM 0 HA VAL A 98 7.891 7.582 -4.618 1.00 0.26 H new ATOM 0 HB VAL A 98 6.801 6.102 -2.844 1.00 0.21 H new ATOM 0 HG11 VAL A 98 5.904 7.989 -1.537 1.00 0.25 H new ATOM 0 HG12 VAL A 98 7.415 8.424 -2.371 1.00 0.25 H new ATOM 0 HG13 VAL A 98 5.852 8.981 -3.013 1.00 0.25 H new ATOM 0 HG21 VAL A 98 4.367 6.328 -2.522 1.00 0.21 H new ATOM 0 HG22 VAL A 98 4.257 7.258 -4.035 1.00 0.21 H new ATOM 0 HG23 VAL A 98 4.757 5.551 -4.074 1.00 0.21 H new ATOM 1601 N ASP A 99 8.006 4.984 -4.859 1.00 0.28 N ATOM 1602 CA ASP A 99 8.321 3.658 -5.366 1.00 0.32 C ATOM 1603 C ASP A 99 8.260 2.644 -4.230 1.00 0.23 C ATOM 1604 O ASP A 99 8.804 2.870 -3.147 1.00 0.27 O ATOM 1605 CB ASP A 99 9.709 3.638 -6.011 1.00 0.51 C ATOM 1606 CG ASP A 99 9.786 4.489 -7.264 1.00 0.63 C ATOM 1607 OD1 ASP A 99 9.603 3.950 -8.378 1.00 1.11 O ATOM 1608 OD2 ASP A 99 10.041 5.706 -7.144 1.00 0.98 O ATOM 0 H ASP A 99 8.546 5.248 -4.035 1.00 0.28 H new ATOM 0 HA ASP A 99 7.586 3.394 -6.126 1.00 0.32 H new ATOM 0 HB2 ASP A 99 10.445 3.993 -5.290 1.00 0.51 H new ATOM 0 HB3 ASP A 99 9.975 2.610 -6.258 1.00 0.51 H new ATOM 1613 N LEU A 100 7.583 1.540 -4.480 1.00 0.19 N ATOM 1614 CA LEU A 100 7.333 0.534 -3.464 1.00 0.13 C ATOM 1615 C LEU A 100 8.346 -0.598 -3.559 1.00 0.13 C ATOM 1616 O LEU A 100 8.598 -1.121 -4.643 1.00 0.16 O ATOM 1617 CB LEU A 100 5.921 -0.033 -3.639 1.00 0.18 C ATOM 1618 CG LEU A 100 4.764 0.951 -3.419 1.00 0.25 C ATOM 1619 CD1 LEU A 100 4.741 2.047 -4.475 1.00 0.26 C ATOM 1620 CD2 LEU A 100 3.433 0.211 -3.414 1.00 0.35 C ATOM 0 H LEU A 100 7.190 1.314 -5.394 1.00 0.19 H new ATOM 0 HA LEU A 100 7.427 1.004 -2.485 1.00 0.13 H new ATOM 0 HB2 LEU A 100 5.838 -0.440 -4.647 1.00 0.18 H new ATOM 0 HB3 LEU A 100 5.798 -0.866 -2.947 1.00 0.18 H new ATOM 0 HG LEU A 100 4.921 1.424 -2.450 1.00 0.25 H new ATOM 0 HD11 LEU A 100 3.907 2.721 -4.282 1.00 0.26 H new ATOM 0 HD12 LEU A 100 5.676 2.607 -4.439 1.00 0.26 H new ATOM 0 HD13 LEU A 100 4.624 1.599 -5.462 1.00 0.26 H new ATOM 0 HD21 LEU A 100 2.622 0.922 -3.257 1.00 0.35 H new ATOM 0 HD22 LEU A 100 3.293 -0.293 -4.370 1.00 0.35 H new ATOM 0 HD23 LEU A 100 3.430 -0.526 -2.611 1.00 0.35 H new ATOM 1632 N TYR A 101 8.921 -0.979 -2.426 1.00 0.13 N ATOM 1633 CA TYR A 101 9.868 -2.092 -2.387 1.00 0.16 C ATOM 1634 C TYR A 101 9.428 -3.140 -1.374 1.00 0.16 C ATOM 1635 O TYR A 101 8.964 -2.810 -0.278 1.00 0.19 O ATOM 1636 CB TYR A 101 11.314 -1.626 -2.093 1.00 0.19 C ATOM 1637 CG TYR A 101 12.021 -1.047 -3.306 1.00 0.21 C ATOM 1638 CD1 TYR A 101 11.420 -0.079 -4.099 1.00 0.20 C ATOM 1639 CD2 TYR A 101 13.291 -1.484 -3.663 1.00 0.26 C ATOM 1640 CE1 TYR A 101 12.058 0.432 -5.209 1.00 0.24 C ATOM 1641 CE2 TYR A 101 13.937 -0.972 -4.771 1.00 0.30 C ATOM 1642 CZ TYR A 101 13.315 -0.015 -5.541 1.00 0.28 C ATOM 1643 OH TYR A 101 13.951 0.498 -6.648 1.00 0.33 O ATOM 0 H TYR A 101 8.751 -0.537 -1.523 1.00 0.13 H new ATOM 0 HA TYR A 101 9.871 -2.541 -3.380 1.00 0.16 H new ATOM 0 HB2 TYR A 101 11.292 -0.876 -1.302 1.00 0.19 H new ATOM 0 HB3 TYR A 101 11.890 -2.471 -1.715 1.00 0.19 H new ATOM 0 HD1 TYR A 101 10.435 0.280 -3.842 1.00 0.20 H new ATOM 0 HD2 TYR A 101 13.781 -2.237 -3.064 1.00 0.26 H new ATOM 0 HE1 TYR A 101 11.572 1.181 -5.816 1.00 0.24 H new ATOM 0 HE2 TYR A 101 14.925 -1.321 -5.032 1.00 0.30 H new ATOM 0 HH TYR A 101 13.284 0.757 -7.318 1.00 0.33 H new ATOM 1653 N PHE A 102 9.546 -4.402 -1.766 1.00 0.16 N ATOM 1654 CA PHE A 102 9.187 -5.523 -0.911 1.00 0.16 C ATOM 1655 C PHE A 102 10.427 -6.275 -0.441 1.00 0.15 C ATOM 1656 O PHE A 102 11.357 -6.510 -1.211 1.00 0.19 O ATOM 1657 CB PHE A 102 8.269 -6.511 -1.661 1.00 0.20 C ATOM 1658 CG PHE A 102 6.802 -6.184 -1.607 1.00 0.16 C ATOM 1659 CD1 PHE A 102 6.323 -5.196 -0.771 1.00 0.24 C ATOM 1660 CD2 PHE A 102 5.897 -6.896 -2.377 1.00 0.25 C ATOM 1661 CE1 PHE A 102 4.978 -4.917 -0.698 1.00 0.27 C ATOM 1662 CE2 PHE A 102 4.545 -6.619 -2.317 1.00 0.34 C ATOM 1663 CZ PHE A 102 4.085 -5.627 -1.474 1.00 0.31 C ATOM 0 H PHE A 102 9.893 -4.676 -2.685 1.00 0.16 H new ATOM 0 HA PHE A 102 8.662 -5.114 -0.048 1.00 0.16 H new ATOM 0 HB2 PHE A 102 8.579 -6.550 -2.705 1.00 0.20 H new ATOM 0 HB3 PHE A 102 8.419 -7.508 -1.247 1.00 0.20 H new ATOM 0 HD1 PHE A 102 7.016 -4.632 -0.164 1.00 0.24 H new ATOM 0 HD2 PHE A 102 6.253 -7.677 -3.032 1.00 0.25 H new ATOM 0 HE1 PHE A 102 4.621 -4.143 -0.034 1.00 0.27 H new ATOM 0 HE2 PHE A 102 3.850 -7.177 -2.927 1.00 0.34 H new ATOM 0 HZ PHE A 102 3.029 -5.407 -1.422 1.00 0.31 H new ATOM 1673 N LEU A 103 10.428 -6.646 0.824 1.00 0.16 N ATOM 1674 CA LEU A 103 11.451 -7.514 1.379 1.00 0.17 C ATOM 1675 C LEU A 103 10.932 -8.939 1.309 1.00 0.18 C ATOM 1676 O LEU A 103 9.958 -9.271 1.974 1.00 0.19 O ATOM 1677 CB LEU A 103 11.725 -7.131 2.839 1.00 0.18 C ATOM 1678 CG LEU A 103 13.067 -7.584 3.440 1.00 0.22 C ATOM 1679 CD1 LEU A 103 13.250 -9.093 3.382 1.00 0.22 C ATOM 1680 CD2 LEU A 103 14.227 -6.887 2.742 1.00 0.25 C ATOM 0 H LEU A 103 9.720 -6.355 1.498 1.00 0.16 H new ATOM 0 HA LEU A 103 12.381 -7.416 0.818 1.00 0.17 H new ATOM 0 HB2 LEU A 103 11.666 -6.046 2.921 1.00 0.18 H new ATOM 0 HB3 LEU A 103 10.923 -7.541 3.453 1.00 0.18 H new ATOM 0 HG LEU A 103 13.055 -7.300 4.492 1.00 0.22 H new ATOM 0 HD11 LEU A 103 14.212 -9.360 3.819 1.00 0.22 H new ATOM 0 HD12 LEU A 103 12.451 -9.578 3.942 1.00 0.22 H new ATOM 0 HD13 LEU A 103 13.218 -9.424 2.344 1.00 0.22 H new ATOM 0 HD21 LEU A 103 15.168 -7.220 3.180 1.00 0.25 H new ATOM 0 HD22 LEU A 103 14.214 -7.133 1.680 1.00 0.25 H new ATOM 0 HD23 LEU A 103 14.131 -5.808 2.865 1.00 0.25 H new ATOM 1692 N LYS A 104 11.548 -9.769 0.491 1.00 0.23 N ATOM 1693 CA LYS A 104 11.081 -11.127 0.324 1.00 0.29 C ATOM 1694 C LYS A 104 12.201 -12.118 0.603 1.00 0.33 C ATOM 1695 O LYS A 104 12.971 -12.470 -0.290 1.00 0.39 O ATOM 1696 CB LYS A 104 10.526 -11.288 -1.075 1.00 0.42 C ATOM 1697 CG LYS A 104 9.482 -10.233 -1.365 1.00 0.60 C ATOM 1698 CD LYS A 104 8.233 -10.780 -2.021 1.00 0.64 C ATOM 1699 CE LYS A 104 8.470 -11.364 -3.401 1.00 0.66 C ATOM 1700 NZ LYS A 104 9.089 -12.717 -3.355 1.00 1.22 N ATOM 0 H LYS A 104 12.368 -9.527 -0.065 1.00 0.23 H new ATOM 0 HA LYS A 104 10.287 -11.335 1.041 1.00 0.29 H new ATOM 0 HB2 LYS A 104 11.335 -11.215 -1.802 1.00 0.42 H new ATOM 0 HB3 LYS A 104 10.087 -12.280 -1.185 1.00 0.42 H new ATOM 0 HG2 LYS A 104 9.206 -9.741 -0.432 1.00 0.60 H new ATOM 0 HG3 LYS A 104 9.918 -9.471 -2.011 1.00 0.60 H new ATOM 0 HD2 LYS A 104 7.805 -11.550 -1.380 1.00 0.64 H new ATOM 0 HD3 LYS A 104 7.495 -9.982 -2.097 1.00 0.64 H new ATOM 0 HE2 LYS A 104 7.521 -11.421 -3.934 1.00 0.66 H new ATOM 0 HE3 LYS A 104 9.115 -10.693 -3.969 1.00 0.66 H new ATOM 0 HZ1 LYS A 104 8.810 -13.255 -4.200 1.00 1.22 H new ATOM 0 HZ2 LYS A 104 10.125 -12.624 -3.329 1.00 1.22 H new ATOM 0 HZ3 LYS A 104 8.765 -13.218 -2.503 1.00 1.22 H new ATOM 1714 N GLY A 105 12.288 -12.554 1.852 1.00 0.34 N ATOM 1715 CA GLY A 105 13.389 -13.394 2.273 1.00 0.42 C ATOM 1716 C GLY A 105 14.600 -12.558 2.607 1.00 0.40 C ATOM 1717 O GLY A 105 14.686 -11.982 3.692 1.00 0.40 O ATOM 0 H GLY A 105 11.611 -12.339 2.584 1.00 0.34 H new ATOM 0 HA2 GLY A 105 13.094 -13.980 3.144 1.00 0.42 H new ATOM 0 HA3 GLY A 105 13.636 -14.102 1.482 1.00 0.42 H new ATOM 1721 N SER A 106 15.535 -12.494 1.677 1.00 0.40 N ATOM 1722 CA SER A 106 16.652 -11.571 1.768 1.00 0.41 C ATOM 1723 C SER A 106 16.742 -10.739 0.495 1.00 0.37 C ATOM 1724 O SER A 106 17.521 -9.792 0.404 1.00 0.41 O ATOM 1725 CB SER A 106 17.950 -12.338 1.999 1.00 0.52 C ATOM 1726 OG SER A 106 17.954 -13.557 1.273 1.00 1.31 O ATOM 0 H SER A 106 15.542 -13.078 0.840 1.00 0.40 H new ATOM 0 HA SER A 106 16.493 -10.901 2.613 1.00 0.41 H new ATOM 0 HB2 SER A 106 18.798 -11.725 1.694 1.00 0.52 H new ATOM 0 HB3 SER A 106 18.071 -12.543 3.063 1.00 0.52 H new ATOM 0 HG SER A 106 18.796 -14.031 1.435 1.00 1.31 H new ATOM 1732 N LYS A 107 15.928 -11.101 -0.484 1.00 0.36 N ATOM 1733 CA LYS A 107 15.917 -10.413 -1.758 1.00 0.37 C ATOM 1734 C LYS A 107 14.858 -9.319 -1.767 1.00 0.32 C ATOM 1735 O LYS A 107 13.662 -9.590 -1.650 1.00 0.39 O ATOM 1736 CB LYS A 107 15.659 -11.407 -2.895 1.00 0.47 C ATOM 1737 CG LYS A 107 15.643 -10.772 -4.279 1.00 0.65 C ATOM 1738 CD LYS A 107 16.989 -10.163 -4.632 1.00 0.95 C ATOM 1739 CE LYS A 107 16.955 -9.496 -5.998 1.00 1.57 C ATOM 1740 NZ LYS A 107 18.274 -8.917 -6.370 1.00 2.27 N ATOM 0 H LYS A 107 15.264 -11.872 -0.416 1.00 0.36 H new ATOM 0 HA LYS A 107 16.893 -9.951 -1.908 1.00 0.37 H new ATOM 0 HB2 LYS A 107 16.427 -12.180 -2.870 1.00 0.47 H new ATOM 0 HB3 LYS A 107 14.703 -11.902 -2.722 1.00 0.47 H new ATOM 0 HG2 LYS A 107 15.378 -11.524 -5.022 1.00 0.65 H new ATOM 0 HG3 LYS A 107 14.873 -10.001 -4.317 1.00 0.65 H new ATOM 0 HD2 LYS A 107 17.269 -9.431 -3.875 1.00 0.95 H new ATOM 0 HD3 LYS A 107 17.755 -10.939 -4.623 1.00 0.95 H new ATOM 0 HE2 LYS A 107 16.655 -10.226 -6.750 1.00 1.57 H new ATOM 0 HE3 LYS A 107 16.201 -8.709 -5.998 1.00 1.57 H new ATOM 0 HZ1 LYS A 107 18.130 -8.007 -6.853 1.00 2.27 H new ATOM 0 HZ2 LYS A 107 18.842 -8.767 -5.512 1.00 2.27 H new ATOM 0 HZ3 LYS A 107 18.774 -9.571 -7.005 1.00 2.27 H new ATOM 1754 N VAL A 108 15.310 -8.082 -1.868 1.00 0.24 N ATOM 1755 CA VAL A 108 14.412 -6.957 -2.046 1.00 0.22 C ATOM 1756 C VAL A 108 13.886 -6.922 -3.482 1.00 0.23 C ATOM 1757 O VAL A 108 14.649 -7.061 -4.443 1.00 0.30 O ATOM 1758 CB VAL A 108 15.108 -5.621 -1.704 1.00 0.26 C ATOM 1759 CG1 VAL A 108 16.391 -5.450 -2.507 1.00 0.74 C ATOM 1760 CG2 VAL A 108 14.164 -4.450 -1.927 1.00 0.79 C ATOM 0 H VAL A 108 16.298 -7.831 -1.829 1.00 0.24 H new ATOM 0 HA VAL A 108 13.575 -7.086 -1.360 1.00 0.22 H new ATOM 0 HB VAL A 108 15.378 -5.642 -0.648 1.00 0.26 H new ATOM 0 HG11 VAL A 108 16.860 -4.501 -2.246 1.00 0.74 H new ATOM 0 HG12 VAL A 108 17.075 -6.268 -2.279 1.00 0.74 H new ATOM 0 HG13 VAL A 108 16.158 -5.459 -3.572 1.00 0.74 H new ATOM 0 HG21 VAL A 108 14.674 -3.519 -1.680 1.00 0.79 H new ATOM 0 HG22 VAL A 108 13.853 -4.427 -2.971 1.00 0.79 H new ATOM 0 HG23 VAL A 108 13.287 -4.563 -1.290 1.00 0.79 H new ATOM 1770 N MET A 109 12.580 -6.769 -3.619 1.00 0.22 N ATOM 1771 CA MET A 109 11.940 -6.724 -4.925 1.00 0.27 C ATOM 1772 C MET A 109 11.013 -5.518 -5.022 1.00 0.24 C ATOM 1773 O MET A 109 10.105 -5.367 -4.210 1.00 0.25 O ATOM 1774 CB MET A 109 11.141 -8.006 -5.165 1.00 0.36 C ATOM 1775 CG MET A 109 12.002 -9.244 -5.366 1.00 0.44 C ATOM 1776 SD MET A 109 13.050 -9.139 -6.833 1.00 1.47 S ATOM 1777 CE MET A 109 11.815 -8.979 -8.122 1.00 1.85 C ATOM 0 H MET A 109 11.936 -6.673 -2.834 1.00 0.22 H new ATOM 0 HA MET A 109 12.716 -6.637 -5.686 1.00 0.27 H new ATOM 0 HB2 MET A 109 10.477 -8.172 -4.317 1.00 0.36 H new ATOM 0 HB3 MET A 109 10.509 -7.869 -6.043 1.00 0.36 H new ATOM 0 HG2 MET A 109 12.629 -9.391 -4.487 1.00 0.44 H new ATOM 0 HG3 MET A 109 11.358 -10.119 -5.448 1.00 0.44 H new ATOM 0 HE1 MET A 109 12.252 -9.256 -9.081 1.00 1.85 H new ATOM 0 HE2 MET A 109 10.974 -9.637 -7.903 1.00 1.85 H new ATOM 0 HE3 MET A 109 11.467 -7.947 -8.166 1.00 1.85 H new ATOM 1787 N PRO A 110 11.237 -4.637 -6.004 1.00 0.24 N ATOM 1788 CA PRO A 110 10.404 -3.450 -6.203 1.00 0.23 C ATOM 1789 C PRO A 110 9.041 -3.792 -6.805 1.00 0.21 C ATOM 1790 O PRO A 110 8.886 -4.805 -7.490 1.00 0.20 O ATOM 1791 CB PRO A 110 11.233 -2.615 -7.174 1.00 0.27 C ATOM 1792 CG PRO A 110 11.973 -3.622 -7.969 1.00 0.29 C ATOM 1793 CD PRO A 110 12.319 -4.715 -7.002 1.00 0.28 C ATOM 0 HA PRO A 110 10.173 -2.940 -5.268 1.00 0.23 H new ATOM 0 HB2 PRO A 110 10.600 -1.993 -7.807 1.00 0.27 H new ATOM 0 HB3 PRO A 110 11.912 -1.945 -6.646 1.00 0.27 H new ATOM 0 HG2 PRO A 110 11.363 -4.001 -8.789 1.00 0.29 H new ATOM 0 HG3 PRO A 110 12.870 -3.191 -8.412 1.00 0.29 H new ATOM 0 HD2 PRO A 110 12.348 -5.690 -7.489 1.00 0.28 H new ATOM 0 HD3 PRO A 110 13.297 -4.556 -6.548 1.00 0.28 H new ATOM 1801 N LEU A 111 8.059 -2.944 -6.541 1.00 0.23 N ATOM 1802 CA LEU A 111 6.709 -3.139 -7.051 1.00 0.22 C ATOM 1803 C LEU A 111 6.618 -2.575 -8.462 1.00 0.22 C ATOM 1804 O LEU A 111 7.246 -1.564 -8.773 1.00 0.26 O ATOM 1805 CB LEU A 111 5.695 -2.418 -6.154 1.00 0.27 C ATOM 1806 CG LEU A 111 4.368 -3.136 -5.874 1.00 0.27 C ATOM 1807 CD1 LEU A 111 3.860 -3.917 -7.078 1.00 0.24 C ATOM 1808 CD2 LEU A 111 4.516 -4.040 -4.668 1.00 0.31 C ATOM 0 H LEU A 111 8.173 -2.106 -5.971 1.00 0.23 H new ATOM 0 HA LEU A 111 6.483 -4.205 -7.060 1.00 0.22 H new ATOM 0 HB2 LEU A 111 6.176 -2.213 -5.198 1.00 0.27 H new ATOM 0 HB3 LEU A 111 5.468 -1.454 -6.609 1.00 0.27 H new ATOM 0 HG LEU A 111 3.620 -2.372 -5.663 1.00 0.27 H new ATOM 0 HD11 LEU A 111 2.919 -4.405 -6.824 1.00 0.24 H new ATOM 0 HD12 LEU A 111 3.702 -3.235 -7.914 1.00 0.24 H new ATOM 0 HD13 LEU A 111 4.595 -4.671 -7.359 1.00 0.24 H new ATOM 0 HD21 LEU A 111 3.570 -4.547 -4.475 1.00 0.31 H new ATOM 0 HD22 LEU A 111 5.292 -4.781 -4.862 1.00 0.31 H new ATOM 0 HD23 LEU A 111 4.793 -3.444 -3.798 1.00 0.31 H new ATOM 1820 N ASN A 112 5.844 -3.226 -9.307 1.00 0.22 N ATOM 1821 CA ASN A 112 5.642 -2.755 -10.666 1.00 0.25 C ATOM 1822 C ASN A 112 4.307 -2.028 -10.766 1.00 0.23 C ATOM 1823 O ASN A 112 3.306 -2.463 -10.187 1.00 0.22 O ATOM 1824 CB ASN A 112 5.695 -3.926 -11.654 1.00 0.29 C ATOM 1825 CG ASN A 112 7.036 -4.642 -11.657 1.00 1.06 C ATOM 1826 OD1 ASN A 112 7.104 -5.846 -11.902 1.00 1.85 O ATOM 1827 ND2 ASN A 112 8.110 -3.913 -11.389 1.00 1.69 N ATOM 0 H ASN A 112 5.343 -4.084 -9.078 1.00 0.22 H new ATOM 0 HA ASN A 112 6.441 -2.060 -10.923 1.00 0.25 H new ATOM 0 HB2 ASN A 112 4.909 -4.639 -11.405 1.00 0.29 H new ATOM 0 HB3 ASN A 112 5.484 -3.557 -12.658 1.00 0.29 H new ATOM 0 HD21 ASN A 112 9.033 -4.348 -11.381 1.00 1.69 H new ATOM 0 HD22 ASN A 112 8.014 -2.917 -11.191 1.00 1.69 H new ATOM 1834 N THR A 113 4.303 -0.912 -11.482 1.00 0.29 N ATOM 1835 CA THR A 113 3.117 -0.079 -11.619 1.00 0.31 C ATOM 1836 C THR A 113 1.975 -0.843 -12.299 1.00 0.28 C ATOM 1837 O THR A 113 2.143 -1.383 -13.393 1.00 0.32 O ATOM 1838 CB THR A 113 3.431 1.192 -12.428 1.00 0.41 C ATOM 1839 OG1 THR A 113 4.513 1.907 -11.816 1.00 0.47 O ATOM 1840 CG2 THR A 113 2.214 2.094 -12.507 1.00 0.45 C ATOM 0 H THR A 113 5.119 -0.560 -11.983 1.00 0.29 H new ATOM 0 HA THR A 113 2.803 0.202 -10.614 1.00 0.31 H new ATOM 0 HB THR A 113 3.713 0.892 -13.437 1.00 0.41 H new ATOM 0 HG1 THR A 113 4.708 2.714 -12.337 1.00 0.47 H new ATOM 0 HG21 THR A 113 2.459 2.986 -13.083 1.00 0.45 H new ATOM 0 HG22 THR A 113 1.397 1.561 -12.993 1.00 0.45 H new ATOM 0 HG23 THR A 113 1.910 2.384 -11.501 1.00 0.45 H new ATOM 1848 N GLY A 114 0.824 -0.881 -11.633 1.00 0.26 N ATOM 1849 CA GLY A 114 -0.350 -1.558 -12.158 1.00 0.27 C ATOM 1850 C GLY A 114 -0.135 -3.041 -12.365 1.00 0.28 C ATOM 1851 O GLY A 114 -0.736 -3.649 -13.253 1.00 0.38 O ATOM 0 H GLY A 114 0.683 -0.446 -10.721 1.00 0.26 H new ATOM 0 HA2 GLY A 114 -1.185 -1.410 -11.473 1.00 0.27 H new ATOM 0 HA3 GLY A 114 -0.632 -1.102 -13.107 1.00 0.27 H new ATOM 1855 N GLU A 115 0.725 -3.619 -11.549 1.00 0.26 N ATOM 1856 CA GLU A 115 1.006 -5.038 -11.613 1.00 0.27 C ATOM 1857 C GLU A 115 0.806 -5.658 -10.244 1.00 0.24 C ATOM 1858 O GLU A 115 1.460 -5.260 -9.281 1.00 0.23 O ATOM 1859 CB GLU A 115 2.445 -5.262 -12.075 1.00 0.30 C ATOM 1860 CG GLU A 115 2.807 -6.721 -12.304 1.00 0.38 C ATOM 1861 CD GLU A 115 1.991 -7.367 -13.406 1.00 1.07 C ATOM 1862 OE1 GLU A 115 1.213 -8.297 -13.111 1.00 1.93 O ATOM 1863 OE2 GLU A 115 2.102 -6.930 -14.572 1.00 1.19 O ATOM 0 H GLU A 115 1.245 -3.121 -10.827 1.00 0.26 H new ATOM 0 HA GLU A 115 0.326 -5.506 -12.325 1.00 0.27 H new ATOM 0 HB2 GLU A 115 2.608 -4.710 -13.000 1.00 0.30 H new ATOM 0 HB3 GLU A 115 3.123 -4.844 -11.331 1.00 0.30 H new ATOM 0 HG2 GLU A 115 3.866 -6.792 -12.554 1.00 0.38 H new ATOM 0 HG3 GLU A 115 2.660 -7.276 -11.377 1.00 0.38 H new ATOM 1870 N PRO A 116 -0.126 -6.605 -10.127 1.00 0.27 N ATOM 1871 CA PRO A 116 -0.325 -7.354 -8.891 1.00 0.26 C ATOM 1872 C PRO A 116 0.916 -8.147 -8.526 1.00 0.23 C ATOM 1873 O PRO A 116 1.299 -9.088 -9.222 1.00 0.27 O ATOM 1874 CB PRO A 116 -1.490 -8.290 -9.216 1.00 0.33 C ATOM 1875 CG PRO A 116 -2.163 -7.664 -10.388 1.00 0.68 C ATOM 1876 CD PRO A 116 -1.070 -7.014 -11.174 1.00 0.34 C ATOM 0 HA PRO A 116 -0.526 -6.707 -8.037 1.00 0.26 H new ATOM 0 HB2 PRO A 116 -1.137 -9.294 -9.452 1.00 0.33 H new ATOM 0 HB3 PRO A 116 -2.172 -8.382 -8.370 1.00 0.33 H new ATOM 0 HG2 PRO A 116 -2.686 -8.411 -10.986 1.00 0.68 H new ATOM 0 HG3 PRO A 116 -2.906 -6.933 -10.070 1.00 0.68 H new ATOM 0 HD2 PRO A 116 -0.615 -7.705 -11.884 1.00 0.34 H new ATOM 0 HD3 PRO A 116 -1.434 -6.162 -11.748 1.00 0.34 H new ATOM 1884 N PHE A 117 1.547 -7.753 -7.443 1.00 0.20 N ATOM 1885 CA PHE A 117 2.772 -8.384 -7.002 1.00 0.21 C ATOM 1886 C PHE A 117 2.528 -9.103 -5.688 1.00 0.21 C ATOM 1887 O PHE A 117 1.830 -8.592 -4.809 1.00 0.19 O ATOM 1888 CB PHE A 117 3.870 -7.328 -6.860 1.00 0.23 C ATOM 1889 CG PHE A 117 5.253 -7.876 -6.633 1.00 0.28 C ATOM 1890 CD1 PHE A 117 6.183 -7.136 -5.928 1.00 0.29 C ATOM 1891 CD2 PHE A 117 5.624 -9.120 -7.123 1.00 0.34 C ATOM 1892 CE1 PHE A 117 7.457 -7.623 -5.710 1.00 0.35 C ATOM 1893 CE2 PHE A 117 6.898 -9.612 -6.909 1.00 0.40 C ATOM 1894 CZ PHE A 117 7.815 -8.862 -6.202 1.00 0.41 C ATOM 0 H PHE A 117 1.228 -6.990 -6.845 1.00 0.20 H new ATOM 0 HA PHE A 117 3.098 -9.119 -7.738 1.00 0.21 H new ATOM 0 HB2 PHE A 117 3.882 -6.714 -7.761 1.00 0.23 H new ATOM 0 HB3 PHE A 117 3.615 -6.670 -6.029 1.00 0.23 H new ATOM 0 HD1 PHE A 117 5.910 -6.165 -5.543 1.00 0.29 H new ATOM 0 HD2 PHE A 117 4.910 -9.710 -7.678 1.00 0.34 H new ATOM 0 HE1 PHE A 117 8.173 -7.035 -5.155 1.00 0.35 H new ATOM 0 HE2 PHE A 117 7.175 -10.582 -7.295 1.00 0.40 H new ATOM 0 HZ PHE A 117 8.811 -9.244 -6.034 1.00 0.41 H new ATOM 1904 N VAL A 118 3.080 -10.300 -5.576 1.00 0.25 N ATOM 1905 CA VAL A 118 2.856 -11.152 -4.423 1.00 0.28 C ATOM 1906 C VAL A 118 3.314 -10.475 -3.130 1.00 0.26 C ATOM 1907 O VAL A 118 4.480 -10.115 -2.975 1.00 0.29 O ATOM 1908 CB VAL A 118 3.550 -12.524 -4.599 1.00 0.35 C ATOM 1909 CG1 VAL A 118 5.046 -12.370 -4.837 1.00 0.65 C ATOM 1910 CG2 VAL A 118 3.283 -13.418 -3.402 1.00 0.71 C ATOM 0 H VAL A 118 3.695 -10.707 -6.281 1.00 0.25 H new ATOM 0 HA VAL A 118 1.782 -11.322 -4.348 1.00 0.28 H new ATOM 0 HB VAL A 118 3.125 -12.997 -5.484 1.00 0.35 H new ATOM 0 HG11 VAL A 118 5.499 -13.354 -4.956 1.00 0.65 H new ATOM 0 HG12 VAL A 118 5.212 -11.783 -5.740 1.00 0.65 H new ATOM 0 HG13 VAL A 118 5.500 -11.862 -3.986 1.00 0.65 H new ATOM 0 HG21 VAL A 118 3.780 -14.377 -3.546 1.00 0.71 H new ATOM 0 HG22 VAL A 118 3.667 -12.942 -2.500 1.00 0.71 H new ATOM 0 HG23 VAL A 118 2.210 -13.577 -3.299 1.00 0.71 H new ATOM 1920 N VAL A 119 2.374 -10.284 -2.215 1.00 0.23 N ATOM 1921 CA VAL A 119 2.651 -9.600 -0.959 1.00 0.22 C ATOM 1922 C VAL A 119 2.383 -10.518 0.237 1.00 0.23 C ATOM 1923 O VAL A 119 2.795 -10.234 1.365 1.00 0.23 O ATOM 1924 CB VAL A 119 1.793 -8.323 -0.841 1.00 0.21 C ATOM 1925 CG1 VAL A 119 0.319 -8.654 -0.906 1.00 0.21 C ATOM 1926 CG2 VAL A 119 2.106 -7.576 0.438 1.00 0.22 C ATOM 0 H VAL A 119 1.408 -10.595 -2.320 1.00 0.23 H new ATOM 0 HA VAL A 119 3.705 -9.324 -0.954 1.00 0.22 H new ATOM 0 HB VAL A 119 2.040 -7.679 -1.685 1.00 0.21 H new ATOM 0 HG11 VAL A 119 -0.264 -7.737 -0.821 1.00 0.21 H new ATOM 0 HG12 VAL A 119 0.096 -9.138 -1.857 1.00 0.21 H new ATOM 0 HG13 VAL A 119 0.061 -9.326 -0.087 1.00 0.21 H new ATOM 0 HG21 VAL A 119 1.488 -6.680 0.497 1.00 0.22 H new ATOM 0 HG22 VAL A 119 1.898 -8.217 1.294 1.00 0.22 H new ATOM 0 HG23 VAL A 119 3.158 -7.292 0.445 1.00 0.22 H new ATOM 1936 N GLN A 120 1.719 -11.632 -0.028 1.00 0.27 N ATOM 1937 CA GLN A 120 1.269 -12.535 1.024 1.00 0.33 C ATOM 1938 C GLN A 120 2.418 -13.055 1.887 1.00 0.45 C ATOM 1939 O GLN A 120 2.307 -13.107 3.112 1.00 1.35 O ATOM 1940 CB GLN A 120 0.507 -13.719 0.418 1.00 0.32 C ATOM 1941 CG GLN A 120 1.252 -14.425 -0.701 1.00 0.37 C ATOM 1942 CD GLN A 120 0.499 -15.616 -1.260 1.00 0.45 C ATOM 1943 OE1 GLN A 120 1.106 -16.591 -1.699 1.00 1.23 O ATOM 1944 NE2 GLN A 120 -0.824 -15.551 -1.263 1.00 1.21 N ATOM 0 H GLN A 120 1.477 -11.936 -0.971 1.00 0.27 H new ATOM 0 HA GLN A 120 0.609 -11.957 1.671 1.00 0.33 H new ATOM 0 HB2 GLN A 120 0.289 -14.439 1.206 1.00 0.32 H new ATOM 0 HB3 GLN A 120 -0.450 -13.365 0.036 1.00 0.32 H new ATOM 0 HG2 GLN A 120 1.445 -13.715 -1.505 1.00 0.37 H new ATOM 0 HG3 GLN A 120 2.222 -14.758 -0.330 1.00 0.37 H new ATOM 0 HE21 GLN A 120 -1.295 -14.726 -0.891 1.00 1.21 H new ATOM 0 HE22 GLN A 120 -1.372 -16.326 -1.638 1.00 1.21 H new ATOM 1953 N ASP A 121 3.516 -13.427 1.255 1.00 0.72 N ATOM 1954 CA ASP A 121 4.591 -14.106 1.957 1.00 0.76 C ATOM 1955 C ASP A 121 5.830 -13.229 2.087 1.00 0.65 C ATOM 1956 O ASP A 121 6.912 -13.722 2.413 1.00 0.96 O ATOM 1957 CB ASP A 121 4.939 -15.406 1.232 1.00 0.96 C ATOM 1958 CG ASP A 121 5.551 -15.165 -0.133 1.00 1.47 C ATOM 1959 OD1 ASP A 121 6.777 -15.350 -0.285 1.00 1.55 O ATOM 1960 OD2 ASP A 121 4.811 -14.794 -1.062 1.00 2.35 O ATOM 0 H ASP A 121 3.687 -13.272 0.262 1.00 0.72 H new ATOM 0 HA ASP A 121 4.243 -14.329 2.966 1.00 0.76 H new ATOM 0 HB2 ASP A 121 5.635 -15.983 1.841 1.00 0.96 H new ATOM 0 HB3 ASP A 121 4.037 -16.008 1.121 1.00 0.96 H new ATOM 1965 N ILE A 122 5.676 -11.930 1.856 1.00 0.37 N ATOM 1966 CA ILE A 122 6.799 -11.013 1.982 1.00 0.29 C ATOM 1967 C ILE A 122 7.136 -10.811 3.452 1.00 0.24 C ATOM 1968 O ILE A 122 6.304 -11.037 4.334 1.00 0.32 O ATOM 1969 CB ILE A 122 6.523 -9.635 1.340 1.00 0.29 C ATOM 1970 CG1 ILE A 122 5.649 -8.763 2.246 1.00 0.26 C ATOM 1971 CG2 ILE A 122 5.864 -9.814 -0.016 1.00 0.36 C ATOM 1972 CD1 ILE A 122 5.665 -7.301 1.859 1.00 0.31 C ATOM 0 H ILE A 122 4.795 -11.494 1.584 1.00 0.37 H new ATOM 0 HA ILE A 122 7.635 -11.466 1.450 1.00 0.29 H new ATOM 0 HB ILE A 122 7.478 -9.126 1.208 1.00 0.29 H new ATOM 0 HG12 ILE A 122 4.623 -9.130 2.213 1.00 0.26 H new ATOM 0 HG13 ILE A 122 5.991 -8.864 3.276 1.00 0.26 H new ATOM 0 HG21 ILE A 122 5.674 -8.837 -0.460 1.00 0.36 H new ATOM 0 HG22 ILE A 122 6.523 -10.387 -0.668 1.00 0.36 H new ATOM 0 HG23 ILE A 122 4.921 -10.347 0.105 1.00 0.36 H new ATOM 0 HD11 ILE A 122 5.026 -6.738 2.539 1.00 0.31 H new ATOM 0 HD12 ILE A 122 6.684 -6.920 1.919 1.00 0.31 H new ATOM 0 HD13 ILE A 122 5.296 -7.190 0.839 1.00 0.31 H new ATOM 1984 N ASP A 123 8.354 -10.382 3.703 1.00 0.23 N ATOM 1985 CA ASP A 123 8.823 -10.142 5.054 1.00 0.25 C ATOM 1986 C ASP A 123 8.519 -8.724 5.488 1.00 0.25 C ATOM 1987 O ASP A 123 8.142 -8.480 6.630 1.00 0.29 O ATOM 1988 CB ASP A 123 10.325 -10.386 5.140 1.00 0.26 C ATOM 1989 CG ASP A 123 10.662 -11.855 5.218 1.00 0.32 C ATOM 1990 OD1 ASP A 123 10.771 -12.488 4.148 1.00 0.30 O ATOM 1991 OD2 ASP A 123 10.825 -12.381 6.337 1.00 0.50 O ATOM 0 H ASP A 123 9.047 -10.190 2.980 1.00 0.23 H new ATOM 0 HA ASP A 123 8.302 -10.832 5.718 1.00 0.25 H new ATOM 0 HB2 ASP A 123 10.812 -9.949 4.268 1.00 0.26 H new ATOM 0 HB3 ASP A 123 10.724 -9.877 6.017 1.00 0.26 H new ATOM 1996 N ALA A 124 8.701 -7.787 4.577 1.00 0.21 N ATOM 1997 CA ALA A 124 8.484 -6.387 4.878 1.00 0.21 C ATOM 1998 C ALA A 124 8.216 -5.596 3.605 1.00 0.19 C ATOM 1999 O ALA A 124 8.504 -6.060 2.507 1.00 0.19 O ATOM 2000 CB ALA A 124 9.698 -5.825 5.609 1.00 0.22 C ATOM 0 H ALA A 124 9.000 -7.972 3.619 1.00 0.21 H new ATOM 0 HA ALA A 124 7.608 -6.298 5.520 1.00 0.21 H new ATOM 0 HB1 ALA A 124 9.532 -4.772 5.834 1.00 0.22 H new ATOM 0 HB2 ALA A 124 9.850 -6.375 6.538 1.00 0.22 H new ATOM 0 HB3 ALA A 124 10.581 -5.926 4.979 1.00 0.22 H new ATOM 2006 N MET A 125 7.639 -4.419 3.758 1.00 0.19 N ATOM 2007 CA MET A 125 7.497 -3.481 2.650 1.00 0.16 C ATOM 2008 C MET A 125 7.848 -2.069 3.119 1.00 0.16 C ATOM 2009 O MET A 125 7.732 -1.758 4.301 1.00 0.18 O ATOM 2010 CB MET A 125 6.081 -3.499 2.029 1.00 0.24 C ATOM 2011 CG MET A 125 5.820 -2.226 1.229 1.00 0.31 C ATOM 2012 SD MET A 125 4.457 -2.217 0.083 1.00 1.16 S ATOM 2013 CE MET A 125 4.522 -0.479 -0.342 1.00 0.73 C ATOM 0 H MET A 125 7.258 -4.084 4.643 1.00 0.19 H new ATOM 0 HA MET A 125 8.189 -3.797 1.869 1.00 0.16 H new ATOM 0 HB2 MET A 125 5.975 -4.369 1.381 1.00 0.24 H new ATOM 0 HB3 MET A 125 5.335 -3.597 2.818 1.00 0.24 H new ATOM 0 HG2 MET A 125 5.664 -1.413 1.938 1.00 0.31 H new ATOM 0 HG3 MET A 125 6.726 -1.992 0.670 1.00 0.31 H new ATOM 0 HE1 MET A 125 3.590 -0.188 -0.826 1.00 0.73 H new ATOM 0 HE2 MET A 125 4.661 0.112 0.563 1.00 0.73 H new ATOM 0 HE3 MET A 125 5.355 -0.302 -1.022 1.00 0.73 H new ATOM 2023 N SER A 126 8.300 -1.235 2.197 1.00 0.16 N ATOM 2024 CA SER A 126 8.572 0.162 2.491 1.00 0.18 C ATOM 2025 C SER A 126 8.065 1.040 1.361 1.00 0.22 C ATOM 2026 O SER A 126 7.758 0.547 0.271 1.00 0.29 O ATOM 2027 CB SER A 126 10.068 0.379 2.655 1.00 0.24 C ATOM 2028 OG SER A 126 10.746 -0.020 1.479 1.00 1.22 O ATOM 0 H SER A 126 8.487 -1.504 1.231 1.00 0.16 H new ATOM 0 HA SER A 126 8.061 0.427 3.417 1.00 0.18 H new ATOM 0 HB2 SER A 126 10.271 1.430 2.863 1.00 0.24 H new ATOM 0 HB3 SER A 126 10.435 -0.192 3.508 1.00 0.24 H new ATOM 0 HG SER A 126 10.904 -0.987 1.505 1.00 1.22 H new ATOM 2034 N VAL A 127 7.964 2.331 1.623 1.00 0.21 N ATOM 2035 CA VAL A 127 7.611 3.279 0.588 1.00 0.23 C ATOM 2036 C VAL A 127 8.704 4.333 0.476 1.00 0.22 C ATOM 2037 O VAL A 127 8.845 5.192 1.348 1.00 0.19 O ATOM 2038 CB VAL A 127 6.267 3.971 0.894 1.00 0.23 C ATOM 2039 CG1 VAL A 127 5.710 4.636 -0.355 1.00 0.27 C ATOM 2040 CG2 VAL A 127 5.268 2.981 1.482 1.00 0.26 C ATOM 0 H VAL A 127 8.122 2.744 2.542 1.00 0.21 H new ATOM 0 HA VAL A 127 7.510 2.736 -0.351 1.00 0.23 H new ATOM 0 HB VAL A 127 6.443 4.747 1.639 1.00 0.23 H new ATOM 0 HG11 VAL A 127 4.762 5.118 -0.118 1.00 0.27 H new ATOM 0 HG12 VAL A 127 6.417 5.383 -0.716 1.00 0.27 H new ATOM 0 HG13 VAL A 127 5.551 3.884 -1.128 1.00 0.27 H new ATOM 0 HG21 VAL A 127 4.328 3.492 1.689 1.00 0.26 H new ATOM 0 HG22 VAL A 127 5.093 2.175 0.770 1.00 0.26 H new ATOM 0 HG23 VAL A 127 5.668 2.567 2.408 1.00 0.26 H new ATOM 2050 N LEU A 128 9.479 4.257 -0.594 1.00 0.28 N ATOM 2051 CA LEU A 128 10.562 5.203 -0.825 1.00 0.32 C ATOM 2052 C LEU A 128 10.163 6.178 -1.919 1.00 0.33 C ATOM 2053 O LEU A 128 9.603 5.783 -2.933 1.00 0.38 O ATOM 2054 CB LEU A 128 11.843 4.485 -1.263 1.00 0.43 C ATOM 2055 CG LEU A 128 12.723 3.822 -0.182 1.00 0.21 C ATOM 2056 CD1 LEU A 128 11.942 3.378 1.051 1.00 0.34 C ATOM 2057 CD2 LEU A 128 13.446 2.633 -0.788 1.00 0.42 C ATOM 0 H LEU A 128 9.378 3.547 -1.320 1.00 0.28 H new ATOM 0 HA LEU A 128 10.750 5.729 0.111 1.00 0.32 H new ATOM 0 HB2 LEU A 128 11.562 3.714 -1.980 1.00 0.43 H new ATOM 0 HB3 LEU A 128 12.461 5.207 -1.797 1.00 0.43 H new ATOM 0 HG LEU A 128 13.432 4.577 0.159 1.00 0.21 H new ATOM 0 HD11 LEU A 128 12.624 2.921 1.768 1.00 0.34 H new ATOM 0 HD12 LEU A 128 11.461 4.243 1.508 1.00 0.34 H new ATOM 0 HD13 LEU A 128 11.183 2.653 0.759 1.00 0.34 H new ATOM 0 HD21 LEU A 128 14.069 2.161 -0.029 1.00 0.42 H new ATOM 0 HD22 LEU A 128 12.716 1.913 -1.158 1.00 0.42 H new ATOM 0 HD23 LEU A 128 14.073 2.970 -1.614 1.00 0.42 H new ATOM 2069 N PRO A 129 10.432 7.461 -1.728 1.00 0.35 N ATOM 2070 CA PRO A 129 10.167 8.467 -2.740 1.00 0.40 C ATOM 2071 C PRO A 129 11.300 8.583 -3.746 1.00 0.56 C ATOM 2072 O PRO A 129 12.417 8.924 -3.377 1.00 0.91 O ATOM 2073 CB PRO A 129 10.063 9.744 -1.925 1.00 0.47 C ATOM 2074 CG PRO A 129 10.960 9.522 -0.747 1.00 0.52 C ATOM 2075 CD PRO A 129 11.034 8.026 -0.522 1.00 0.41 C ATOM 0 HA PRO A 129 9.280 8.236 -3.330 1.00 0.40 H new ATOM 0 HB2 PRO A 129 10.380 10.610 -2.506 1.00 0.47 H new ATOM 0 HB3 PRO A 129 9.036 9.930 -1.610 1.00 0.47 H new ATOM 0 HG2 PRO A 129 11.952 9.933 -0.935 1.00 0.52 H new ATOM 0 HG3 PRO A 129 10.568 10.026 0.136 1.00 0.52 H new ATOM 0 HD2 PRO A 129 12.063 7.691 -0.394 1.00 0.41 H new ATOM 0 HD3 PRO A 129 10.489 7.729 0.374 1.00 0.41 H new ATOM 2083 N LYS A 130 10.962 8.339 -5.009 1.00 0.43 N ATOM 2084 CA LYS A 130 11.860 8.498 -6.167 1.00 0.53 C ATOM 2085 C LYS A 130 13.237 7.843 -5.988 1.00 0.47 C ATOM 2086 O LYS A 130 13.520 6.827 -6.625 1.00 0.81 O ATOM 2087 CB LYS A 130 11.979 9.977 -6.518 1.00 0.74 C ATOM 2088 CG LYS A 130 10.642 10.646 -6.839 1.00 0.83 C ATOM 2089 CD LYS A 130 9.899 9.971 -7.995 1.00 1.76 C ATOM 2090 CE LYS A 130 9.036 8.793 -7.534 1.00 2.10 C ATOM 2091 NZ LYS A 130 8.371 8.107 -8.676 1.00 3.29 N ATOM 0 H LYS A 130 10.031 8.016 -5.271 1.00 0.43 H new ATOM 0 HA LYS A 130 11.407 7.959 -6.999 1.00 0.53 H new ATOM 0 HB2 LYS A 130 12.446 10.502 -5.685 1.00 0.74 H new ATOM 0 HB3 LYS A 130 12.643 10.085 -7.375 1.00 0.74 H new ATOM 0 HG2 LYS A 130 10.011 10.630 -5.950 1.00 0.83 H new ATOM 0 HG3 LYS A 130 10.816 11.693 -7.088 1.00 0.83 H new ATOM 0 HD2 LYS A 130 9.267 10.706 -8.494 1.00 1.76 H new ATOM 0 HD3 LYS A 130 10.622 9.620 -8.731 1.00 1.76 H new ATOM 0 HE2 LYS A 130 9.657 8.078 -6.994 1.00 2.10 H new ATOM 0 HE3 LYS A 130 8.279 9.150 -6.835 1.00 2.10 H new ATOM 0 HZ1 LYS A 130 7.797 7.316 -8.319 1.00 3.29 H new ATOM 0 HZ2 LYS A 130 7.758 8.782 -9.177 1.00 3.29 H new ATOM 0 HZ3 LYS A 130 9.093 7.743 -9.330 1.00 3.29 H new ATOM 2105 N GLY A 131 14.095 8.435 -5.165 1.00 0.43 N ATOM 2106 CA GLY A 131 15.366 7.820 -4.833 1.00 0.39 C ATOM 2107 C GLY A 131 15.184 6.554 -4.014 1.00 0.33 C ATOM 2108 O GLY A 131 15.446 6.531 -2.811 1.00 0.44 O ATOM 0 H GLY A 131 13.931 9.337 -4.719 1.00 0.43 H new ATOM 0 HA2 GLY A 131 15.906 7.585 -5.750 1.00 0.39 H new ATOM 0 HA3 GLY A 131 15.978 8.529 -4.275 1.00 0.39 H new ATOM 2112 N SER A 132 14.735 5.505 -4.679 1.00 0.31 N ATOM 2113 CA SER A 132 14.473 4.220 -4.055 1.00 0.36 C ATOM 2114 C SER A 132 15.771 3.479 -3.758 1.00 0.39 C ATOM 2115 O SER A 132 15.766 2.402 -3.159 1.00 0.44 O ATOM 2116 CB SER A 132 13.578 3.389 -4.969 1.00 0.49 C ATOM 2117 OG SER A 132 14.131 3.293 -6.271 1.00 1.23 O ATOM 0 H SER A 132 14.540 5.521 -5.680 1.00 0.31 H new ATOM 0 HA SER A 132 13.965 4.387 -3.105 1.00 0.36 H new ATOM 0 HB2 SER A 132 13.450 2.391 -4.550 1.00 0.49 H new ATOM 0 HB3 SER A 132 12.588 3.841 -5.023 1.00 0.49 H new ATOM 0 HG SER A 132 14.134 2.356 -6.557 1.00 1.23 H new ATOM 2123 N SER A 133 16.880 4.070 -4.192 1.00 0.40 N ATOM 2124 CA SER A 133 18.198 3.462 -4.080 1.00 0.48 C ATOM 2125 C SER A 133 18.545 3.081 -2.638 1.00 0.45 C ATOM 2126 O SER A 133 19.416 2.238 -2.417 1.00 0.51 O ATOM 2127 CB SER A 133 19.237 4.427 -4.636 1.00 0.58 C ATOM 2128 OG SER A 133 18.811 4.946 -5.883 1.00 1.30 O ATOM 0 H SER A 133 16.888 4.989 -4.634 1.00 0.40 H new ATOM 0 HA SER A 133 18.194 2.537 -4.656 1.00 0.48 H new ATOM 0 HB2 SER A 133 19.399 5.243 -3.931 1.00 0.58 H new ATOM 0 HB3 SER A 133 20.192 3.915 -4.755 1.00 0.58 H new ATOM 0 HG SER A 133 19.487 5.566 -6.228 1.00 1.30 H new ATOM 2134 N SER A 134 17.855 3.686 -1.666 1.00 0.40 N ATOM 2135 CA SER A 134 18.012 3.321 -0.260 1.00 0.39 C ATOM 2136 C SER A 134 17.904 1.807 -0.079 1.00 0.34 C ATOM 2137 O SER A 134 18.712 1.190 0.617 1.00 0.39 O ATOM 2138 CB SER A 134 16.937 4.015 0.587 1.00 0.39 C ATOM 2139 OG SER A 134 17.012 5.429 0.474 1.00 0.44 O ATOM 0 H SER A 134 17.181 4.433 -1.831 1.00 0.40 H new ATOM 0 HA SER A 134 19.000 3.645 0.068 1.00 0.39 H new ATOM 0 HB2 SER A 134 15.950 3.676 0.271 1.00 0.39 H new ATOM 0 HB3 SER A 134 17.054 3.727 1.632 1.00 0.39 H new ATOM 0 HG SER A 134 16.527 5.843 1.218 1.00 0.44 H new ATOM 2145 N LEU A 135 16.909 1.220 -0.728 1.00 0.28 N ATOM 2146 CA LEU A 135 16.634 -0.197 -0.595 1.00 0.26 C ATOM 2147 C LEU A 135 16.827 -0.933 -1.921 1.00 0.28 C ATOM 2148 O LEU A 135 16.278 -2.012 -2.134 1.00 0.37 O ATOM 2149 CB LEU A 135 15.214 -0.356 -0.058 1.00 0.24 C ATOM 2150 CG LEU A 135 15.027 0.198 1.358 1.00 0.24 C ATOM 2151 CD1 LEU A 135 13.624 -0.051 1.846 1.00 0.25 C ATOM 2152 CD2 LEU A 135 16.049 -0.408 2.305 1.00 0.29 C ATOM 0 H LEU A 135 16.275 1.712 -1.357 1.00 0.28 H new ATOM 0 HA LEU A 135 17.340 -0.647 0.103 1.00 0.26 H new ATOM 0 HB2 LEU A 135 14.521 0.149 -0.731 1.00 0.24 H new ATOM 0 HB3 LEU A 135 14.949 -1.413 -0.063 1.00 0.24 H new ATOM 0 HG LEU A 135 15.186 1.276 1.331 1.00 0.24 H new ATOM 0 HD11 LEU A 135 13.513 0.350 2.853 1.00 0.25 H new ATOM 0 HD12 LEU A 135 12.915 0.439 1.180 1.00 0.25 H new ATOM 0 HD13 LEU A 135 13.428 -1.123 1.859 1.00 0.25 H new ATOM 0 HD21 LEU A 135 15.902 -0.003 3.306 1.00 0.29 H new ATOM 0 HD22 LEU A 135 15.925 -1.491 2.329 1.00 0.29 H new ATOM 0 HD23 LEU A 135 17.054 -0.165 1.960 1.00 0.29 H new ATOM 2164 N LYS A 136 17.614 -0.343 -2.810 1.00 0.30 N ATOM 2165 CA LYS A 136 17.888 -0.940 -4.109 1.00 0.35 C ATOM 2166 C LYS A 136 19.273 -1.587 -4.117 1.00 0.37 C ATOM 2167 O LYS A 136 20.249 -0.987 -4.580 1.00 0.42 O ATOM 2168 CB LYS A 136 17.806 0.128 -5.198 1.00 0.40 C ATOM 2169 CG LYS A 136 17.876 -0.426 -6.610 1.00 0.46 C ATOM 2170 CD LYS A 136 17.994 0.685 -7.644 1.00 0.57 C ATOM 2171 CE LYS A 136 16.808 1.636 -7.592 1.00 0.98 C ATOM 2172 NZ LYS A 136 16.914 2.708 -8.614 1.00 1.66 N ATOM 0 H LYS A 136 18.076 0.553 -2.654 1.00 0.30 H new ATOM 0 HA LYS A 136 17.142 -1.710 -4.305 1.00 0.35 H new ATOM 0 HB2 LYS A 136 16.874 0.681 -5.081 1.00 0.40 H new ATOM 0 HB3 LYS A 136 18.619 0.840 -5.057 1.00 0.40 H new ATOM 0 HG2 LYS A 136 18.731 -1.096 -6.696 1.00 0.46 H new ATOM 0 HG3 LYS A 136 16.984 -1.019 -6.813 1.00 0.46 H new ATOM 0 HD2 LYS A 136 18.915 1.243 -7.474 1.00 0.57 H new ATOM 0 HD3 LYS A 136 18.066 0.248 -8.640 1.00 0.57 H new ATOM 0 HE2 LYS A 136 15.886 1.076 -7.748 1.00 0.98 H new ATOM 0 HE3 LYS A 136 16.745 2.084 -6.600 1.00 0.98 H new ATOM 0 HZ1 LYS A 136 16.087 3.335 -8.546 1.00 1.66 H new ATOM 0 HZ2 LYS A 136 17.781 3.259 -8.451 1.00 1.66 H new ATOM 0 HZ3 LYS A 136 16.948 2.282 -9.562 1.00 1.66 H new ATOM 2186 N VAL A 137 19.362 -2.798 -3.590 1.00 0.37 N ATOM 2187 CA VAL A 137 20.625 -3.509 -3.526 1.00 0.42 C ATOM 2188 C VAL A 137 20.414 -4.987 -3.850 1.00 0.46 C ATOM 2189 O VAL A 137 19.289 -5.479 -3.766 1.00 0.51 O ATOM 2190 CB VAL A 137 21.273 -3.340 -2.128 1.00 0.41 C ATOM 2191 CG1 VAL A 137 20.321 -3.807 -1.041 1.00 0.34 C ATOM 2192 CG2 VAL A 137 22.611 -4.068 -2.028 1.00 0.51 C ATOM 0 H VAL A 137 18.570 -3.309 -3.200 1.00 0.37 H new ATOM 0 HA VAL A 137 21.303 -3.086 -4.267 1.00 0.42 H new ATOM 0 HB VAL A 137 21.473 -2.278 -1.985 1.00 0.41 H new ATOM 0 HG11 VAL A 137 20.792 -3.681 -0.066 1.00 0.34 H new ATOM 0 HG12 VAL A 137 19.406 -3.216 -1.081 1.00 0.34 H new ATOM 0 HG13 VAL A 137 20.081 -4.859 -1.195 1.00 0.34 H new ATOM 0 HG21 VAL A 137 23.030 -3.923 -1.032 1.00 0.51 H new ATOM 0 HG22 VAL A 137 22.460 -5.133 -2.207 1.00 0.51 H new ATOM 0 HG23 VAL A 137 23.299 -3.669 -2.773 1.00 0.51 H new ATOM 2202 N LYS A 138 21.482 -5.660 -4.265 1.00 0.50 N ATOM 2203 CA LYS A 138 21.473 -7.096 -4.543 1.00 0.57 C ATOM 2204 C LYS A 138 20.632 -7.869 -3.525 1.00 0.47 C ATOM 2205 O LYS A 138 19.700 -8.588 -3.895 1.00 0.53 O ATOM 2206 CB LYS A 138 22.911 -7.594 -4.517 1.00 0.69 C ATOM 2207 CG LYS A 138 23.050 -9.098 -4.600 1.00 1.22 C ATOM 2208 CD LYS A 138 24.474 -9.533 -4.285 1.00 1.34 C ATOM 2209 CE LYS A 138 24.930 -9.015 -2.927 1.00 1.59 C ATOM 2210 NZ LYS A 138 26.309 -9.460 -2.597 1.00 2.06 N ATOM 0 H LYS A 138 22.389 -5.221 -4.420 1.00 0.50 H new ATOM 0 HA LYS A 138 21.023 -7.264 -5.522 1.00 0.57 H new ATOM 0 HB2 LYS A 138 23.454 -7.144 -5.348 1.00 0.69 H new ATOM 0 HB3 LYS A 138 23.387 -7.247 -3.600 1.00 0.69 H new ATOM 0 HG2 LYS A 138 22.359 -9.570 -3.901 1.00 1.22 H new ATOM 0 HG3 LYS A 138 22.775 -9.438 -5.599 1.00 1.22 H new ATOM 0 HD2 LYS A 138 24.534 -10.621 -4.299 1.00 1.34 H new ATOM 0 HD3 LYS A 138 25.147 -9.166 -5.060 1.00 1.34 H new ATOM 0 HE2 LYS A 138 24.889 -7.926 -2.922 1.00 1.59 H new ATOM 0 HE3 LYS A 138 24.242 -9.363 -2.156 1.00 1.59 H new ATOM 0 HZ1 LYS A 138 26.581 -9.086 -1.665 1.00 2.06 H new ATOM 0 HZ2 LYS A 138 26.343 -10.499 -2.576 1.00 2.06 H new ATOM 0 HZ3 LYS A 138 26.970 -9.106 -3.318 1.00 2.06 H new ATOM 2224 N THR A 139 20.953 -7.699 -2.254 1.00 0.37 N ATOM 2225 CA THR A 139 20.213 -8.341 -1.182 1.00 0.29 C ATOM 2226 C THR A 139 19.996 -7.357 -0.055 1.00 0.25 C ATOM 2227 O THR A 139 20.845 -6.506 0.212 1.00 0.28 O ATOM 2228 CB THR A 139 20.915 -9.606 -0.647 1.00 0.31 C ATOM 2229 OG1 THR A 139 22.305 -9.595 -0.998 1.00 0.39 O ATOM 2230 CG2 THR A 139 20.250 -10.865 -1.185 1.00 0.39 C ATOM 0 H THR A 139 21.728 -7.116 -1.938 1.00 0.37 H new ATOM 0 HA THR A 139 19.256 -8.659 -1.595 1.00 0.29 H new ATOM 0 HB THR A 139 20.826 -9.607 0.439 1.00 0.31 H new ATOM 0 HG1 THR A 139 22.737 -10.403 -0.650 1.00 0.39 H new ATOM 0 HG21 THR A 139 20.763 -11.743 -0.793 1.00 0.39 H new ATOM 0 HG22 THR A 139 19.206 -10.886 -0.874 1.00 0.39 H new ATOM 0 HG23 THR A 139 20.304 -10.868 -2.274 1.00 0.39 H new ATOM 2238 N MET A 140 18.876 -7.485 0.616 1.00 0.26 N ATOM 2239 CA MET A 140 18.411 -6.439 1.489 1.00 0.32 C ATOM 2240 C MET A 140 18.188 -6.964 2.894 1.00 0.34 C ATOM 2241 O MET A 140 17.495 -7.963 3.090 1.00 0.38 O ATOM 2242 CB MET A 140 17.128 -5.870 0.919 1.00 0.38 C ATOM 2243 CG MET A 140 16.684 -4.577 1.559 1.00 0.60 C ATOM 2244 SD MET A 140 17.932 -3.290 1.452 1.00 0.78 S ATOM 2245 CE MET A 140 18.151 -2.933 3.186 1.00 0.40 C ATOM 0 H MET A 140 18.271 -8.305 0.573 1.00 0.26 H new ATOM 0 HA MET A 140 19.166 -5.655 1.552 1.00 0.32 H new ATOM 0 HB2 MET A 140 17.261 -5.706 -0.150 1.00 0.38 H new ATOM 0 HB3 MET A 140 16.335 -6.609 1.032 1.00 0.38 H new ATOM 0 HG2 MET A 140 15.769 -4.232 1.076 1.00 0.60 H new ATOM 0 HG3 MET A 140 16.443 -4.758 2.606 1.00 0.60 H new ATOM 0 HE1 MET A 140 18.170 -1.853 3.336 1.00 0.40 H new ATOM 0 HE2 MET A 140 17.326 -3.363 3.753 1.00 0.40 H new ATOM 0 HE3 MET A 140 19.091 -3.364 3.530 1.00 0.40 H new ATOM 2255 N ALA A 141 18.784 -6.294 3.869 1.00 0.34 N ATOM 2256 CA ALA A 141 18.598 -6.667 5.256 1.00 0.38 C ATOM 2257 C ALA A 141 17.222 -6.226 5.712 1.00 0.34 C ATOM 2258 O ALA A 141 16.863 -5.067 5.556 1.00 0.36 O ATOM 2259 CB ALA A 141 19.675 -6.031 6.120 1.00 0.44 C ATOM 0 H ALA A 141 19.398 -5.493 3.722 1.00 0.34 H new ATOM 0 HA ALA A 141 18.678 -7.750 5.355 1.00 0.38 H new ATOM 0 HB1 ALA A 141 19.524 -6.319 7.160 1.00 0.44 H new ATOM 0 HB2 ALA A 141 20.656 -6.371 5.788 1.00 0.44 H new ATOM 0 HB3 ALA A 141 19.618 -4.946 6.032 1.00 0.44 H new ATOM 2265 N LYS A 142 16.457 -7.156 6.263 1.00 0.32 N ATOM 2266 CA LYS A 142 15.102 -6.875 6.728 1.00 0.30 C ATOM 2267 C LYS A 142 15.124 -5.853 7.858 1.00 0.26 C ATOM 2268 O LYS A 142 14.162 -5.120 8.066 1.00 0.24 O ATOM 2269 CB LYS A 142 14.442 -8.170 7.194 1.00 0.33 C ATOM 2270 CG LYS A 142 13.016 -8.002 7.680 1.00 0.32 C ATOM 2271 CD LYS A 142 12.401 -9.346 8.004 1.00 0.38 C ATOM 2272 CE LYS A 142 10.922 -9.223 8.298 1.00 0.49 C ATOM 2273 NZ LYS A 142 10.294 -10.558 8.514 1.00 1.11 N ATOM 0 H LYS A 142 16.753 -8.122 6.401 1.00 0.32 H new ATOM 0 HA LYS A 142 14.525 -6.456 5.904 1.00 0.30 H new ATOM 0 HB2 LYS A 142 14.452 -8.886 6.372 1.00 0.33 H new ATOM 0 HB3 LYS A 142 15.039 -8.600 7.998 1.00 0.33 H new ATOM 0 HG2 LYS A 142 13.000 -7.366 8.565 1.00 0.32 H new ATOM 0 HG3 LYS A 142 12.423 -7.499 6.916 1.00 0.32 H new ATOM 0 HD2 LYS A 142 12.551 -10.027 7.166 1.00 0.38 H new ATOM 0 HD3 LYS A 142 12.909 -9.782 8.864 1.00 0.38 H new ATOM 0 HE2 LYS A 142 10.776 -8.604 9.183 1.00 0.49 H new ATOM 0 HE3 LYS A 142 10.426 -8.717 7.470 1.00 0.49 H new ATOM 0 HZ1 LYS A 142 9.266 -10.484 8.376 1.00 1.11 H new ATOM 0 HZ2 LYS A 142 10.686 -11.240 7.834 1.00 1.11 H new ATOM 0 HZ3 LYS A 142 10.491 -10.882 9.482 1.00 1.11 H new ATOM 2287 N ASP A 143 16.245 -5.803 8.559 1.00 0.29 N ATOM 2288 CA ASP A 143 16.443 -4.852 9.643 1.00 0.31 C ATOM 2289 C ASP A 143 16.644 -3.463 9.073 1.00 0.28 C ATOM 2290 O ASP A 143 16.003 -2.497 9.489 1.00 0.29 O ATOM 2291 CB ASP A 143 17.667 -5.248 10.471 1.00 0.37 C ATOM 2292 CG ASP A 143 18.086 -4.162 11.443 1.00 0.49 C ATOM 2293 OD1 ASP A 143 17.427 -4.013 12.494 1.00 0.66 O ATOM 2294 OD2 ASP A 143 19.077 -3.455 11.162 1.00 0.52 O ATOM 0 H ASP A 143 17.042 -6.418 8.394 1.00 0.29 H new ATOM 0 HA ASP A 143 15.562 -4.857 10.284 1.00 0.31 H new ATOM 0 HB2 ASP A 143 17.448 -6.161 11.024 1.00 0.37 H new ATOM 0 HB3 ASP A 143 18.497 -5.472 9.802 1.00 0.37 H new ATOM 2299 N MET A 144 17.525 -3.386 8.095 1.00 0.29 N ATOM 2300 CA MET A 144 17.831 -2.135 7.437 1.00 0.30 C ATOM 2301 C MET A 144 16.667 -1.701 6.558 1.00 0.24 C ATOM 2302 O MET A 144 16.416 -0.517 6.396 1.00 0.25 O ATOM 2303 CB MET A 144 19.094 -2.286 6.599 1.00 0.35 C ATOM 2304 CG MET A 144 19.319 -1.132 5.637 1.00 0.36 C ATOM 2305 SD MET A 144 20.776 -1.339 4.597 1.00 0.48 S ATOM 2306 CE MET A 144 20.495 -0.037 3.396 1.00 0.43 C ATOM 0 H MET A 144 18.046 -4.186 7.737 1.00 0.29 H new ATOM 0 HA MET A 144 17.997 -1.370 8.195 1.00 0.30 H new ATOM 0 HB2 MET A 144 19.954 -2.369 7.263 1.00 0.35 H new ATOM 0 HB3 MET A 144 19.037 -3.216 6.033 1.00 0.35 H new ATOM 0 HG2 MET A 144 18.441 -1.023 5.001 1.00 0.36 H new ATOM 0 HG3 MET A 144 19.417 -0.208 6.207 1.00 0.36 H new ATOM 0 HE1 MET A 144 21.328 -0.003 2.694 1.00 0.43 H new ATOM 0 HE2 MET A 144 19.571 -0.236 2.853 1.00 0.43 H new ATOM 0 HE3 MET A 144 20.414 0.921 3.910 1.00 0.43 H new ATOM 2316 N PHE A 145 15.962 -2.676 6.003 1.00 0.21 N ATOM 2317 CA PHE A 145 14.840 -2.420 5.111 1.00 0.17 C ATOM 2318 C PHE A 145 13.829 -1.494 5.770 1.00 0.15 C ATOM 2319 O PHE A 145 13.530 -0.411 5.262 1.00 0.16 O ATOM 2320 CB PHE A 145 14.156 -3.736 4.741 1.00 0.19 C ATOM 2321 CG PHE A 145 13.128 -3.590 3.662 1.00 0.17 C ATOM 2322 CD1 PHE A 145 11.782 -3.577 3.968 1.00 0.24 C ATOM 2323 CD2 PHE A 145 13.511 -3.465 2.342 1.00 0.18 C ATOM 2324 CE1 PHE A 145 10.839 -3.445 2.975 1.00 0.30 C ATOM 2325 CE2 PHE A 145 12.572 -3.332 1.342 1.00 0.23 C ATOM 2326 CZ PHE A 145 11.233 -3.323 1.660 1.00 0.29 C ATOM 0 H PHE A 145 16.151 -3.666 6.158 1.00 0.21 H new ATOM 0 HA PHE A 145 15.223 -1.940 4.210 1.00 0.17 H new ATOM 0 HB2 PHE A 145 14.912 -4.451 4.418 1.00 0.19 H new ATOM 0 HB3 PHE A 145 13.682 -4.153 5.630 1.00 0.19 H new ATOM 0 HD1 PHE A 145 11.466 -3.671 4.996 1.00 0.24 H new ATOM 0 HD2 PHE A 145 14.561 -3.471 2.089 1.00 0.18 H new ATOM 0 HE1 PHE A 145 9.789 -3.437 3.226 1.00 0.30 H new ATOM 0 HE2 PHE A 145 12.886 -3.235 0.313 1.00 0.23 H new ATOM 0 HZ PHE A 145 10.492 -3.221 0.881 1.00 0.29 H new ATOM 2336 N VAL A 146 13.314 -1.926 6.911 1.00 0.15 N ATOM 2337 CA VAL A 146 12.342 -1.141 7.646 1.00 0.14 C ATOM 2338 C VAL A 146 12.953 0.157 8.156 1.00 0.15 C ATOM 2339 O VAL A 146 12.339 1.212 8.058 1.00 0.16 O ATOM 2340 CB VAL A 146 11.702 -1.934 8.812 1.00 0.16 C ATOM 2341 CG1 VAL A 146 12.700 -2.844 9.504 1.00 0.19 C ATOM 2342 CG2 VAL A 146 11.080 -0.986 9.815 1.00 0.17 C ATOM 0 H VAL A 146 13.555 -2.817 7.346 1.00 0.15 H new ATOM 0 HA VAL A 146 11.545 -0.898 6.943 1.00 0.14 H new ATOM 0 HB VAL A 146 10.926 -2.567 8.382 1.00 0.16 H new ATOM 0 HG11 VAL A 146 12.204 -3.379 10.314 1.00 0.19 H new ATOM 0 HG12 VAL A 146 13.097 -3.561 8.786 1.00 0.19 H new ATOM 0 HG13 VAL A 146 13.516 -2.247 9.910 1.00 0.19 H new ATOM 0 HG21 VAL A 146 10.634 -1.558 10.629 1.00 0.17 H new ATOM 0 HG22 VAL A 146 11.848 -0.324 10.215 1.00 0.17 H new ATOM 0 HG23 VAL A 146 10.309 -0.392 9.324 1.00 0.17 H new ATOM 2352 N SER A 147 14.163 0.088 8.672 1.00 0.18 N ATOM 2353 CA SER A 147 14.822 1.270 9.198 1.00 0.21 C ATOM 2354 C SER A 147 15.040 2.317 8.097 1.00 0.21 C ATOM 2355 O SER A 147 14.785 3.507 8.299 1.00 0.24 O ATOM 2356 CB SER A 147 16.139 0.863 9.851 1.00 0.25 C ATOM 2357 OG SER A 147 16.808 1.977 10.416 1.00 0.85 O ATOM 0 H SER A 147 14.710 -0.770 8.739 1.00 0.18 H new ATOM 0 HA SER A 147 14.184 1.731 9.952 1.00 0.21 H new ATOM 0 HB2 SER A 147 15.947 0.122 10.627 1.00 0.25 H new ATOM 0 HB3 SER A 147 16.782 0.389 9.109 1.00 0.25 H new ATOM 0 HG SER A 147 17.647 1.681 10.827 1.00 0.85 H new ATOM 2363 N ARG A 148 15.484 1.865 6.927 1.00 0.20 N ATOM 2364 CA ARG A 148 15.665 2.738 5.773 1.00 0.21 C ATOM 2365 C ARG A 148 14.336 3.327 5.325 1.00 0.19 C ATOM 2366 O ARG A 148 14.220 4.527 5.106 1.00 0.27 O ATOM 2367 CB ARG A 148 16.275 1.956 4.617 1.00 0.23 C ATOM 2368 CG ARG A 148 17.780 1.780 4.681 1.00 0.29 C ATOM 2369 CD ARG A 148 18.517 3.089 4.454 1.00 0.43 C ATOM 2370 NE ARG A 148 18.592 3.900 5.669 1.00 1.22 N ATOM 2371 CZ ARG A 148 19.064 5.145 5.719 1.00 1.53 C ATOM 2372 NH1 ARG A 148 19.445 5.767 4.611 1.00 1.19 N ATOM 2373 NH2 ARG A 148 19.147 5.771 6.886 1.00 2.48 N ATOM 0 H ARG A 148 15.727 0.890 6.754 1.00 0.20 H new ATOM 0 HA ARG A 148 16.333 3.548 6.066 1.00 0.21 H new ATOM 0 HB2 ARG A 148 15.811 0.970 4.581 1.00 0.23 H new ATOM 0 HB3 ARG A 148 16.023 2.461 3.684 1.00 0.23 H new ATOM 0 HG2 ARG A 148 18.056 1.373 5.654 1.00 0.29 H new ATOM 0 HG3 ARG A 148 18.092 1.054 3.931 1.00 0.29 H new ATOM 0 HD2 ARG A 148 19.525 2.879 4.097 1.00 0.43 H new ATOM 0 HD3 ARG A 148 18.013 3.656 3.671 1.00 0.43 H new ATOM 0 HE ARG A 148 18.260 3.483 6.539 1.00 1.22 H new ATOM 0 HH11 ARG A 148 19.378 5.292 3.711 1.00 1.19 H new ATOM 0 HH12 ARG A 148 19.805 6.720 4.659 1.00 1.19 H new ATOM 0 HH21 ARG A 148 18.850 5.299 7.740 1.00 2.48 H new ATOM 0 HH22 ARG A 148 19.508 6.724 6.929 1.00 2.48 H new ATOM 2387 N GLY A 149 13.335 2.468 5.191 1.00 0.14 N ATOM 2388 CA GLY A 149 12.030 2.920 4.774 1.00 0.13 C ATOM 2389 C GLY A 149 11.416 3.860 5.786 1.00 0.15 C ATOM 2390 O GLY A 149 10.774 4.833 5.423 1.00 0.17 O ATOM 0 H GLY A 149 13.407 1.465 5.365 1.00 0.14 H new ATOM 0 HA2 GLY A 149 12.110 3.424 3.811 1.00 0.13 H new ATOM 0 HA3 GLY A 149 11.375 2.060 4.631 1.00 0.13 H new ATOM 2394 N ASN A 150 11.632 3.566 7.063 1.00 0.17 N ATOM 2395 CA ASN A 150 11.133 4.400 8.149 1.00 0.22 C ATOM 2396 C ASN A 150 11.682 5.817 8.059 1.00 0.23 C ATOM 2397 O ASN A 150 10.944 6.783 8.244 1.00 0.26 O ATOM 2398 CB ASN A 150 11.491 3.792 9.509 1.00 0.32 C ATOM 2399 CG ASN A 150 10.992 4.623 10.675 1.00 0.46 C ATOM 2400 OD1 ASN A 150 11.696 5.499 11.183 1.00 1.42 O ATOM 2401 ND2 ASN A 150 9.774 4.352 11.111 1.00 0.93 N ATOM 0 H ASN A 150 12.155 2.747 7.373 1.00 0.17 H new ATOM 0 HA ASN A 150 10.048 4.444 8.052 1.00 0.22 H new ATOM 0 HB2 ASN A 150 11.068 2.790 9.576 1.00 0.32 H new ATOM 0 HB3 ASN A 150 12.574 3.687 9.581 1.00 0.32 H new ATOM 0 HD21 ASN A 150 9.385 4.876 11.895 1.00 0.93 H new ATOM 0 HD22 ASN A 150 9.223 3.619 10.663 1.00 0.93 H new ATOM 2408 N THR A 151 12.974 5.947 7.770 1.00 0.23 N ATOM 2409 CA THR A 151 13.575 7.267 7.639 1.00 0.27 C ATOM 2410 C THR A 151 13.183 7.890 6.295 1.00 0.27 C ATOM 2411 O THR A 151 13.170 9.112 6.143 1.00 0.33 O ATOM 2412 CB THR A 151 15.114 7.229 7.807 1.00 0.30 C ATOM 2413 OG1 THR A 151 15.623 8.559 7.980 1.00 0.40 O ATOM 2414 CG2 THR A 151 15.798 6.583 6.611 1.00 0.27 C ATOM 0 H THR A 151 13.615 5.167 7.624 1.00 0.23 H new ATOM 0 HA THR A 151 13.188 7.890 8.445 1.00 0.27 H new ATOM 0 HB THR A 151 15.330 6.628 8.690 1.00 0.30 H new ATOM 0 HG1 THR A 151 16.597 8.525 8.087 1.00 0.40 H new ATOM 0 HG21 THR A 151 16.877 6.576 6.769 1.00 0.27 H new ATOM 0 HG22 THR A 151 15.441 5.559 6.497 1.00 0.27 H new ATOM 0 HG23 THR A 151 15.567 7.150 5.709 1.00 0.27 H new ATOM 2422 N GLU A 152 12.839 7.037 5.332 1.00 0.25 N ATOM 2423 CA GLU A 152 12.237 7.480 4.083 1.00 0.30 C ATOM 2424 C GLU A 152 10.784 7.880 4.330 1.00 0.28 C ATOM 2425 O GLU A 152 10.140 8.515 3.496 1.00 0.30 O ATOM 2426 CB GLU A 152 12.320 6.361 3.054 1.00 0.34 C ATOM 2427 CG GLU A 152 13.365 6.575 1.967 1.00 0.52 C ATOM 2428 CD GLU A 152 14.632 7.269 2.433 1.00 0.63 C ATOM 2429 OE1 GLU A 152 15.687 6.601 2.512 1.00 1.31 O ATOM 2430 OE2 GLU A 152 14.593 8.495 2.677 1.00 0.98 O ATOM 0 H GLU A 152 12.970 6.028 5.397 1.00 0.25 H new ATOM 0 HA GLU A 152 12.776 8.347 3.700 1.00 0.30 H new ATOM 0 HB2 GLU A 152 12.538 5.426 3.570 1.00 0.34 H new ATOM 0 HB3 GLU A 152 11.344 6.245 2.583 1.00 0.34 H new ATOM 0 HG2 GLU A 152 13.632 5.607 1.543 1.00 0.52 H new ATOM 0 HG3 GLU A 152 12.919 7.162 1.164 1.00 0.52 H new ATOM 2437 N GLY A 153 10.300 7.512 5.505 1.00 0.25 N ATOM 2438 CA GLY A 153 9.010 7.951 5.984 1.00 0.25 C ATOM 2439 C GLY A 153 7.948 6.870 5.992 1.00 0.21 C ATOM 2440 O GLY A 153 6.902 7.052 6.617 1.00 0.24 O ATOM 0 H GLY A 153 10.796 6.899 6.151 1.00 0.25 H new ATOM 0 HA2 GLY A 153 9.124 8.340 6.996 1.00 0.25 H new ATOM 0 HA3 GLY A 153 8.666 8.777 5.362 1.00 0.25 H new ATOM 2444 N ALA A 154 8.179 5.745 5.322 1.00 0.17 N ATOM 2445 CA ALA A 154 7.273 4.614 5.467 1.00 0.16 C ATOM 2446 C ALA A 154 7.986 3.273 5.413 1.00 0.14 C ATOM 2447 O ALA A 154 8.681 2.964 4.443 1.00 0.15 O ATOM 2448 CB ALA A 154 6.186 4.656 4.420 1.00 0.19 C ATOM 0 H ALA A 154 8.965 5.594 4.689 1.00 0.17 H new ATOM 0 HA ALA A 154 6.829 4.707 6.458 1.00 0.16 H new ATOM 0 HB1 ALA A 154 5.523 3.801 4.550 1.00 0.19 H new ATOM 0 HB2 ALA A 154 5.614 5.578 4.526 1.00 0.19 H new ATOM 0 HB3 ALA A 154 6.635 4.619 3.428 1.00 0.19 H new ATOM 2454 N SER A 155 7.784 2.471 6.437 1.00 0.15 N ATOM 2455 CA SER A 155 8.148 1.075 6.394 1.00 0.16 C ATOM 2456 C SER A 155 7.158 0.236 7.185 1.00 0.15 C ATOM 2457 O SER A 155 6.433 0.749 8.039 1.00 0.19 O ATOM 2458 CB SER A 155 9.545 0.877 6.946 1.00 0.23 C ATOM 2459 OG SER A 155 9.685 1.502 8.208 1.00 1.42 O ATOM 0 H SER A 155 7.365 2.769 7.318 1.00 0.15 H new ATOM 0 HA SER A 155 8.127 0.751 5.353 1.00 0.16 H new ATOM 0 HB2 SER A 155 9.756 -0.188 7.039 1.00 0.23 H new ATOM 0 HB3 SER A 155 10.276 1.287 6.250 1.00 0.23 H new ATOM 0 HG SER A 155 10.590 1.349 8.550 1.00 1.42 H new ATOM 2465 N ILE A 156 7.126 -1.049 6.880 1.00 0.14 N ATOM 2466 CA ILE A 156 6.245 -1.979 7.551 1.00 0.15 C ATOM 2467 C ILE A 156 6.827 -3.389 7.442 1.00 0.15 C ATOM 2468 O ILE A 156 6.972 -3.932 6.347 1.00 0.17 O ATOM 2469 CB ILE A 156 4.814 -1.901 6.954 1.00 0.18 C ATOM 2470 CG1 ILE A 156 3.865 -2.852 7.673 1.00 0.21 C ATOM 2471 CG2 ILE A 156 4.816 -2.193 5.460 1.00 0.21 C ATOM 2472 CD1 ILE A 156 2.413 -2.547 7.395 1.00 0.28 C ATOM 0 H ILE A 156 7.711 -1.474 6.160 1.00 0.14 H new ATOM 0 HA ILE A 156 6.167 -1.717 8.606 1.00 0.15 H new ATOM 0 HB ILE A 156 4.460 -0.881 7.101 1.00 0.18 H new ATOM 0 HG12 ILE A 156 4.082 -3.875 7.367 1.00 0.21 H new ATOM 0 HG13 ILE A 156 4.045 -2.795 8.747 1.00 0.21 H new ATOM 0 HG21 ILE A 156 3.798 -2.130 5.076 1.00 0.21 H new ATOM 0 HG22 ILE A 156 5.443 -1.464 4.948 1.00 0.21 H new ATOM 0 HG23 ILE A 156 5.208 -3.195 5.286 1.00 0.21 H new ATOM 0 HD11 ILE A 156 1.783 -3.256 7.933 1.00 0.28 H new ATOM 0 HD12 ILE A 156 2.184 -1.534 7.726 1.00 0.28 H new ATOM 0 HD13 ILE A 156 2.222 -2.631 6.325 1.00 0.28 H new ATOM 2484 N SER A 157 7.186 -3.968 8.572 1.00 0.16 N ATOM 2485 CA SER A 157 7.863 -5.254 8.575 1.00 0.19 C ATOM 2486 C SER A 157 7.106 -6.281 9.402 1.00 0.20 C ATOM 2487 O SER A 157 6.595 -5.976 10.480 1.00 0.34 O ATOM 2488 CB SER A 157 9.301 -5.091 9.075 1.00 0.34 C ATOM 2489 OG SER A 157 10.021 -4.230 8.220 1.00 1.44 O ATOM 0 H SER A 157 7.022 -3.571 9.497 1.00 0.16 H new ATOM 0 HA SER A 157 7.892 -5.626 7.551 1.00 0.19 H new ATOM 0 HB2 SER A 157 9.298 -4.689 10.088 1.00 0.34 H new ATOM 0 HB3 SER A 157 9.791 -6.064 9.119 1.00 0.34 H new ATOM 0 HG SER A 157 10.931 -4.574 8.099 1.00 1.44 H new ATOM 2495 N PHE A 158 7.025 -7.489 8.878 1.00 0.20 N ATOM 2496 CA PHE A 158 6.364 -8.580 9.552 1.00 0.32 C ATOM 2497 C PHE A 158 7.347 -9.715 9.797 1.00 0.74 C ATOM 2498 O PHE A 158 7.892 -9.799 10.916 1.00 1.33 O ATOM 2499 CB PHE A 158 5.189 -9.061 8.709 1.00 0.97 C ATOM 2500 CG PHE A 158 4.029 -8.109 8.701 1.00 1.03 C ATOM 2501 CD1 PHE A 158 3.947 -7.100 7.755 1.00 0.97 C ATOM 2502 CD2 PHE A 158 3.025 -8.221 9.647 1.00 1.42 C ATOM 2503 CE1 PHE A 158 2.879 -6.219 7.756 1.00 1.38 C ATOM 2504 CE2 PHE A 158 1.957 -7.347 9.651 1.00 1.81 C ATOM 2505 CZ PHE A 158 1.885 -6.344 8.705 1.00 1.81 C ATOM 2506 OXT PHE A 158 7.602 -10.504 8.861 1.00 1.62 O ATOM 0 H PHE A 158 7.418 -7.738 7.970 1.00 0.20 H new ATOM 0 HA PHE A 158 5.990 -8.237 10.517 1.00 0.32 H new ATOM 0 HB2 PHE A 158 5.527 -9.218 7.685 1.00 0.97 H new ATOM 0 HB3 PHE A 158 4.853 -10.027 9.086 1.00 0.97 H new ATOM 0 HD1 PHE A 158 4.723 -7.000 7.010 1.00 0.97 H new ATOM 0 HD2 PHE A 158 3.078 -9.002 10.391 1.00 1.42 H new ATOM 0 HE1 PHE A 158 2.824 -5.435 7.015 1.00 1.38 H new ATOM 0 HE2 PHE A 158 1.179 -7.447 10.393 1.00 1.81 H new ATOM 0 HZ PHE A 158 1.051 -5.658 8.708 1.00 1.81 H new