USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 762 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 103 TYR OH : rot -7:sc= 0.838 USER MOD Set 1.2: A 124 SER OG : rot 110:sc= 0.805 USER MOD Set 2.1: A 93 THR OG1 : rot 180:sc= 0.626 USER MOD Set 2.2: A 106 GLN : amide:sc= -0.482 K(o=0.14,f=0.68) USER MOD Set 3.1: A 79 LYS NZ :NH3+ 175:sc= 0.884 (180deg=0.827) USER MOD Set 3.2: A 95 SER OG : rot 180:sc= -0.0625 USER MOD Single : A 48 SER OG : rot 34:sc= 0.152 USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0227) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= -0.0555 (180deg=-0.311) USER MOD Single : A 54 MET CE :methyl -144:sc= -0.243 (180deg=-2.44!) USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 167:sc= -0.0184 (180deg=-0.18) USER MOD Single : A 61 GLN : amide:sc= -0.184 X(o=-0.18,f=-0.27) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -3.17! C(o=-3.2!,f=-7.9!) USER MOD Single : A 65 THR OG1 : rot 174:sc= 0.382 USER MOD Single : A 68 MET CE :methyl 138:sc= -0.283 (180deg=-1.24!) USER MOD Single : A 70 ASN : amide:sc= -0.515 X(o=-0.52,f=-0.51) USER MOD Single : A 74 HIS : no HD1:sc= -0.65 K(o=-0.65,f=-0.084) USER MOD Single : A 78 TYR OH : rot -165:sc= -1.87 USER MOD Single : A 82 SER OG : rot 99:sc= 0.477 USER MOD Single : A 83 GLN : amide:sc= -0.847 K(o=-0.85,f=-1.7) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.47) USER MOD Single : A 101 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.13) USER MOD Single : A 102 LYS NZ :NH3+ 142:sc= -1.39! (180deg=-4.85!) USER MOD Single : A 109 SER OG : rot -7:sc= 0.903 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot 71:sc= 0.047 USER MOD Single : A 127 GLN : amide:sc= -0.822 K(o=-0.82,f=0) USER MOD Single : A 129 LYS NZ :NH3+ 168:sc= -0.0165 (180deg=-0.167) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 167:sc= -0.0186 (180deg=-0.242) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 48 20.006 -19.750 3.069 1.00 0.33 N ATOM 2 CA SER A 48 21.235 -18.949 3.246 1.00 61.01 C ATOM 3 C SER A 48 20.895 -17.467 3.332 1.00 20.52 C ATOM 4 O SER A 48 21.776 -16.615 3.451 1.00 1.14 O ATOM 5 CB SER A 48 22.188 -19.208 2.078 1.00 23.41 C ATOM 6 OG SER A 48 22.442 -20.596 1.929 1.00 50.24 O ATOM 0 HA SER A 48 21.721 -19.243 4.176 1.00 61.01 H new ATOM 0 HB2 SER A 48 21.758 -18.812 1.158 1.00 23.41 H new ATOM 0 HB3 SER A 48 23.126 -18.679 2.245 1.00 23.41 H new ATOM 0 HG SER A 48 21.637 -21.103 2.165 1.00 50.24 H new ATOM 12 N ASP A 49 19.607 -17.169 3.283 1.00 54.34 N ATOM 13 CA ASP A 49 19.123 -15.804 3.329 1.00 11.13 C ATOM 14 C ASP A 49 18.440 -15.535 4.664 1.00 54.51 C ATOM 15 O ASP A 49 17.869 -16.443 5.273 1.00 71.44 O ATOM 16 CB ASP A 49 18.159 -15.544 2.163 1.00 11.21 C ATOM 17 CG ASP A 49 16.971 -16.495 2.132 1.00 24.01 C ATOM 18 OD1 ASP A 49 17.168 -17.716 2.324 1.00 21.32 O ATOM 19 OD2 ASP A 49 15.841 -16.033 1.872 1.00 34.34 O ATOM 0 H ASP A 49 18.869 -17.869 3.210 1.00 54.34 H new ATOM 0 HA ASP A 49 19.970 -15.124 3.232 1.00 11.13 H new ATOM 0 HB2 ASP A 49 17.792 -14.520 2.227 1.00 11.21 H new ATOM 0 HB3 ASP A 49 18.706 -15.629 1.224 1.00 11.21 H new ATOM 24 N PRO A 50 18.507 -14.289 5.146 1.00 21.11 N ATOM 25 CA PRO A 50 17.917 -13.909 6.429 1.00 20.32 C ATOM 26 C PRO A 50 16.416 -13.667 6.325 1.00 14.32 C ATOM 27 O PRO A 50 15.803 -13.919 5.284 1.00 34.35 O ATOM 28 CB PRO A 50 18.649 -12.610 6.760 1.00 45.43 C ATOM 29 CG PRO A 50 18.942 -12.000 5.433 1.00 11.50 C ATOM 30 CD PRO A 50 19.161 -13.146 4.479 1.00 50.45 C ATOM 0 HA PRO A 50 18.023 -14.687 7.185 1.00 20.32 H new ATOM 0 HB2 PRO A 50 18.033 -11.952 7.372 1.00 45.43 H new ATOM 0 HB3 PRO A 50 19.564 -12.802 7.320 1.00 45.43 H new ATOM 0 HG2 PRO A 50 18.115 -11.372 5.103 1.00 11.50 H new ATOM 0 HG3 PRO A 50 19.825 -11.363 5.484 1.00 11.50 H new ATOM 0 HD2 PRO A 50 18.718 -12.945 3.504 1.00 50.45 H new ATOM 0 HD3 PRO A 50 20.222 -13.332 4.315 1.00 50.45 H new ATOM 38 N LYS A 51 15.824 -13.174 7.405 1.00 11.25 N ATOM 39 CA LYS A 51 14.417 -12.797 7.394 1.00 43.43 C ATOM 40 C LYS A 51 14.246 -11.462 6.680 1.00 64.53 C ATOM 41 O LYS A 51 13.900 -10.446 7.284 1.00 40.24 O ATOM 42 CB LYS A 51 13.841 -12.737 8.817 1.00 61.12 C ATOM 43 CG LYS A 51 13.453 -14.098 9.386 1.00 61.53 C ATOM 44 CD LYS A 51 14.655 -15.013 9.561 1.00 13.45 C ATOM 45 CE LYS A 51 14.238 -16.411 9.992 1.00 31.23 C ATOM 46 NZ LYS A 51 13.601 -16.421 11.336 1.00 74.13 N ATOM 0 H LYS A 51 16.295 -13.026 8.298 1.00 11.25 H new ATOM 0 HA LYS A 51 13.860 -13.561 6.852 1.00 43.43 H new ATOM 0 HB2 LYS A 51 14.576 -12.275 9.476 1.00 61.12 H new ATOM 0 HB3 LYS A 51 12.963 -12.091 8.816 1.00 61.12 H new ATOM 0 HG2 LYS A 51 12.961 -13.960 10.349 1.00 61.53 H new ATOM 0 HG3 LYS A 51 12.730 -14.574 8.723 1.00 61.53 H new ATOM 0 HD2 LYS A 51 15.208 -15.071 8.624 1.00 13.45 H new ATOM 0 HD3 LYS A 51 15.330 -14.589 10.304 1.00 13.45 H new ATOM 0 HE2 LYS A 51 13.543 -16.822 9.260 1.00 31.23 H new ATOM 0 HE3 LYS A 51 15.112 -17.062 10.002 1.00 31.23 H new ATOM 0 HZ1 LYS A 51 13.411 -17.402 11.623 1.00 74.13 H new ATOM 0 HZ2 LYS A 51 14.239 -15.976 12.026 1.00 74.13 H new ATOM 0 HZ3 LYS A 51 12.707 -15.892 11.300 1.00 74.13 H new ATOM 60 N LYS A 52 14.537 -11.484 5.390 1.00 3.25 N ATOM 61 CA LYS A 52 14.436 -10.314 4.534 1.00 54.44 C ATOM 62 C LYS A 52 13.007 -10.170 4.027 1.00 54.23 C ATOM 63 O LYS A 52 12.547 -9.072 3.718 1.00 62.25 O ATOM 64 CB LYS A 52 15.405 -10.482 3.357 1.00 54.33 C ATOM 65 CG LYS A 52 15.409 -9.335 2.357 1.00 23.24 C ATOM 66 CD LYS A 52 15.954 -8.058 2.968 1.00 15.23 C ATOM 67 CE LYS A 52 16.179 -6.998 1.904 1.00 0.12 C ATOM 68 NZ LYS A 52 16.732 -5.746 2.478 1.00 73.43 N ATOM 0 H LYS A 52 14.853 -12.323 4.903 1.00 3.25 H new ATOM 0 HA LYS A 52 14.696 -9.416 5.094 1.00 54.44 H new ATOM 0 HB2 LYS A 52 16.414 -10.604 3.751 1.00 54.33 H new ATOM 0 HB3 LYS A 52 15.156 -11.403 2.830 1.00 54.33 H new ATOM 0 HG2 LYS A 52 16.011 -9.610 1.491 1.00 23.24 H new ATOM 0 HG3 LYS A 52 14.395 -9.162 1.998 1.00 23.24 H new ATOM 0 HD2 LYS A 52 15.257 -7.683 3.718 1.00 15.23 H new ATOM 0 HD3 LYS A 52 16.892 -8.268 3.481 1.00 15.23 H new ATOM 0 HE2 LYS A 52 16.862 -7.383 1.147 1.00 0.12 H new ATOM 0 HE3 LYS A 52 15.236 -6.782 1.402 1.00 0.12 H new ATOM 0 HZ1 LYS A 52 16.871 -5.048 1.720 1.00 73.43 H new ATOM 0 HZ2 LYS A 52 16.069 -5.364 3.182 1.00 73.43 H new ATOM 0 HZ3 LYS A 52 17.644 -5.947 2.935 1.00 73.43 H new ATOM 82 N LYS A 53 12.314 -11.297 3.964 1.00 61.52 N ATOM 83 CA LYS A 53 10.961 -11.349 3.436 1.00 72.31 C ATOM 84 C LYS A 53 9.998 -11.892 4.489 1.00 12.14 C ATOM 85 O LYS A 53 10.204 -12.977 5.036 1.00 62.02 O ATOM 86 CB LYS A 53 10.940 -12.219 2.174 1.00 33.42 C ATOM 87 CG LYS A 53 11.675 -13.544 2.343 1.00 52.43 C ATOM 88 CD LYS A 53 11.868 -14.261 1.017 1.00 14.04 C ATOM 89 CE LYS A 53 10.551 -14.750 0.439 1.00 4.35 C ATOM 90 NZ LYS A 53 9.897 -15.751 1.322 1.00 34.22 N ATOM 0 H LYS A 53 12.674 -12.199 4.277 1.00 61.52 H new ATOM 0 HA LYS A 53 10.636 -10.342 3.175 1.00 72.31 H new ATOM 0 HB2 LYS A 53 9.905 -12.418 1.896 1.00 33.42 H new ATOM 0 HB3 LYS A 53 11.390 -11.664 1.351 1.00 33.42 H new ATOM 0 HG2 LYS A 53 12.647 -13.363 2.802 1.00 52.43 H new ATOM 0 HG3 LYS A 53 11.115 -14.185 3.024 1.00 52.43 H new ATOM 0 HD2 LYS A 53 12.348 -13.588 0.307 1.00 14.04 H new ATOM 0 HD3 LYS A 53 12.540 -15.108 1.157 1.00 14.04 H new ATOM 0 HE2 LYS A 53 9.882 -13.902 0.293 1.00 4.35 H new ATOM 0 HE3 LYS A 53 10.726 -15.191 -0.542 1.00 4.35 H new ATOM 0 HZ1 LYS A 53 9.161 -16.256 0.789 1.00 34.22 H new ATOM 0 HZ2 LYS A 53 10.607 -16.431 1.661 1.00 34.22 H new ATOM 0 HZ3 LYS A 53 9.465 -15.267 2.135 1.00 34.22 H new ATOM 104 N MET A 54 8.962 -11.121 4.785 1.00 65.21 N ATOM 105 CA MET A 54 7.967 -11.523 5.767 1.00 63.52 C ATOM 106 C MET A 54 6.570 -11.175 5.273 1.00 24.15 C ATOM 107 O MET A 54 6.398 -10.259 4.463 1.00 10.40 O ATOM 108 CB MET A 54 8.237 -10.851 7.119 1.00 4.23 C ATOM 109 CG MET A 54 8.158 -9.334 7.084 1.00 11.40 C ATOM 110 SD MET A 54 8.508 -8.581 8.686 1.00 21.54 S ATOM 111 CE MET A 54 7.203 -9.286 9.690 1.00 45.25 C ATOM 0 H MET A 54 8.789 -10.211 4.358 1.00 65.21 H new ATOM 0 HA MET A 54 8.033 -12.603 5.902 1.00 63.52 H new ATOM 0 HB2 MET A 54 7.519 -11.225 7.848 1.00 4.23 H new ATOM 0 HB3 MET A 54 9.227 -11.145 7.467 1.00 4.23 H new ATOM 0 HG2 MET A 54 8.865 -8.954 6.347 1.00 11.40 H new ATOM 0 HG3 MET A 54 7.163 -9.034 6.756 1.00 11.40 H new ATOM 0 HE1 MET A 54 6.862 -8.547 10.415 1.00 45.25 H new ATOM 0 HE2 MET A 54 6.370 -9.579 9.051 1.00 45.25 H new ATOM 0 HE3 MET A 54 7.582 -10.162 10.217 1.00 45.25 H new ATOM 121 N CYS A 55 5.580 -11.908 5.752 1.00 71.52 N ATOM 122 CA CYS A 55 4.203 -11.700 5.340 1.00 22.24 C ATOM 123 C CYS A 55 3.306 -11.493 6.556 1.00 75.31 C ATOM 124 O CYS A 55 2.413 -10.643 6.546 1.00 73.34 O ATOM 125 CB CYS A 55 3.717 -12.897 4.517 1.00 14.14 C ATOM 126 SG CYS A 55 2.026 -12.743 3.896 1.00 73.14 S ATOM 0 H CYS A 55 5.706 -12.658 6.432 1.00 71.52 H new ATOM 0 HA CYS A 55 4.154 -10.803 4.722 1.00 22.24 H new ATOM 0 HB2 CYS A 55 4.390 -13.037 3.671 1.00 14.14 H new ATOM 0 HB3 CYS A 55 3.785 -13.795 5.131 1.00 14.14 H new ATOM 0 HG CYS A 55 1.716 -13.805 3.214 1.00 73.14 H new ATOM 132 N LYS A 56 3.550 -12.274 7.602 1.00 12.34 N ATOM 133 CA LYS A 56 2.788 -12.155 8.836 1.00 52.24 C ATOM 134 C LYS A 56 3.539 -11.283 9.832 1.00 63.44 C ATOM 135 O LYS A 56 4.736 -11.469 10.054 1.00 61.21 O ATOM 136 CB LYS A 56 2.517 -13.532 9.452 1.00 2.41 C ATOM 137 CG LYS A 56 1.620 -13.468 10.678 1.00 23.44 C ATOM 138 CD LYS A 56 1.423 -14.834 11.311 1.00 64.23 C ATOM 139 CE LYS A 56 0.424 -14.776 12.460 1.00 53.31 C ATOM 140 NZ LYS A 56 -0.954 -14.480 11.987 1.00 54.55 N ATOM 0 H LYS A 56 4.270 -12.996 7.619 1.00 12.34 H new ATOM 0 HA LYS A 56 1.831 -11.691 8.599 1.00 52.24 H new ATOM 0 HB2 LYS A 56 2.054 -14.174 8.703 1.00 2.41 H new ATOM 0 HB3 LYS A 56 3.465 -13.994 9.726 1.00 2.41 H new ATOM 0 HG2 LYS A 56 2.055 -12.788 11.411 1.00 23.44 H new ATOM 0 HG3 LYS A 56 0.651 -13.056 10.397 1.00 23.44 H new ATOM 0 HD2 LYS A 56 1.072 -15.539 10.557 1.00 64.23 H new ATOM 0 HD3 LYS A 56 2.379 -15.208 11.677 1.00 64.23 H new ATOM 0 HE2 LYS A 56 0.428 -15.727 12.992 1.00 53.31 H new ATOM 0 HE3 LYS A 56 0.735 -14.011 13.172 1.00 53.31 H new ATOM 0 HZ1 LYS A 56 -1.632 -14.665 12.754 1.00 54.55 H new ATOM 0 HZ2 LYS A 56 -1.016 -13.482 11.703 1.00 54.55 H new ATOM 0 HZ3 LYS A 56 -1.179 -15.087 11.173 1.00 54.55 H new ATOM 154 N GLU A 57 2.834 -10.343 10.433 1.00 52.31 N ATOM 155 CA GLU A 57 3.433 -9.433 11.394 1.00 53.20 C ATOM 156 C GLU A 57 2.446 -9.133 12.515 1.00 64.13 C ATOM 157 O GLU A 57 1.346 -9.686 12.548 1.00 51.34 O ATOM 158 CB GLU A 57 3.859 -8.139 10.699 1.00 52.21 C ATOM 159 CG GLU A 57 2.703 -7.376 10.074 1.00 73.20 C ATOM 160 CD GLU A 57 3.164 -6.177 9.279 1.00 61.02 C ATOM 161 OE1 GLU A 57 3.367 -5.101 9.877 1.00 0.41 O ATOM 162 OE2 GLU A 57 3.327 -6.309 8.051 1.00 72.35 O ATOM 0 H GLU A 57 1.839 -10.188 10.272 1.00 52.31 H new ATOM 0 HA GLU A 57 4.317 -9.904 11.824 1.00 53.20 H new ATOM 0 HB2 GLU A 57 4.359 -7.495 11.423 1.00 52.21 H new ATOM 0 HB3 GLU A 57 4.589 -8.375 9.924 1.00 52.21 H new ATOM 0 HG2 GLU A 57 2.140 -8.045 9.423 1.00 73.20 H new ATOM 0 HG3 GLU A 57 2.022 -7.047 10.859 1.00 73.20 H new ATOM 169 N ARG A 58 2.837 -8.261 13.425 1.00 73.02 N ATOM 170 CA ARG A 58 1.979 -7.883 14.534 1.00 64.13 C ATOM 171 C ARG A 58 1.762 -6.379 14.535 1.00 2.43 C ATOM 172 O ARG A 58 2.722 -5.606 14.474 1.00 64.43 O ATOM 173 CB ARG A 58 2.600 -8.314 15.860 1.00 63.41 C ATOM 174 CG ARG A 58 2.948 -9.793 15.927 1.00 64.31 C ATOM 175 CD ARG A 58 3.664 -10.124 17.223 1.00 4.23 C ATOM 176 NE ARG A 58 4.838 -9.274 17.421 1.00 61.51 N ATOM 177 CZ ARG A 58 5.022 -8.499 18.488 1.00 34.31 C ATOM 178 NH1 ARG A 58 4.097 -8.448 19.442 1.00 23.40 N ATOM 179 NH2 ARG A 58 6.118 -7.757 18.593 1.00 64.32 N ATOM 0 H ARG A 58 3.746 -7.799 13.419 1.00 73.02 H new ATOM 0 HA ARG A 58 1.019 -8.385 14.415 1.00 64.13 H new ATOM 0 HB2 ARG A 58 3.504 -7.730 16.033 1.00 63.41 H new ATOM 0 HB3 ARG A 58 1.908 -8.077 16.668 1.00 63.41 H new ATOM 0 HG2 ARG A 58 2.038 -10.388 15.847 1.00 64.31 H new ATOM 0 HG3 ARG A 58 3.579 -10.061 15.080 1.00 64.31 H new ATOM 0 HD2 ARG A 58 2.978 -9.999 18.061 1.00 4.23 H new ATOM 0 HD3 ARG A 58 3.969 -11.170 17.214 1.00 4.23 H new ATOM 0 HE ARG A 58 5.558 -9.275 16.699 1.00 61.51 H new ATOM 0 HH11 ARG A 58 3.245 -9.003 19.357 1.00 23.40 H new ATOM 0 HH12 ARG A 58 4.239 -7.854 20.259 1.00 23.40 H new ATOM 0 HH21 ARG A 58 6.822 -7.780 17.855 1.00 64.32 H new ATOM 0 HH22 ARG A 58 6.256 -7.164 19.412 1.00 64.32 H new ATOM 193 N ILE A 59 0.505 -5.969 14.591 1.00 11.54 N ATOM 194 CA ILE A 59 0.160 -4.557 14.633 1.00 14.42 C ATOM 195 C ILE A 59 -0.484 -4.209 15.975 1.00 43.21 C ATOM 196 O ILE A 59 -1.703 -4.290 16.130 1.00 32.22 O ATOM 197 CB ILE A 59 -0.802 -4.172 13.485 1.00 12.42 C ATOM 198 CG1 ILE A 59 -0.224 -4.613 12.136 1.00 63.34 C ATOM 199 CG2 ILE A 59 -1.066 -2.669 13.486 1.00 40.44 C ATOM 200 CD1 ILE A 59 -1.166 -4.395 10.969 1.00 65.53 C ATOM 0 H ILE A 59 -0.298 -6.598 14.608 1.00 11.54 H new ATOM 0 HA ILE A 59 1.083 -3.991 14.511 1.00 14.42 H new ATOM 0 HB ILE A 59 -1.750 -4.686 13.643 1.00 12.42 H new ATOM 0 HG12 ILE A 59 0.701 -4.067 11.951 1.00 63.34 H new ATOM 0 HG13 ILE A 59 0.035 -5.670 12.190 1.00 63.34 H new ATOM 0 HG21 ILE A 59 -1.745 -2.418 12.671 1.00 40.44 H new ATOM 0 HG22 ILE A 59 -1.516 -2.379 14.435 1.00 40.44 H new ATOM 0 HG23 ILE A 59 -0.126 -2.134 13.352 1.00 40.44 H new ATOM 0 HD11 ILE A 59 -0.688 -4.730 10.048 1.00 65.53 H new ATOM 0 HD12 ILE A 59 -2.082 -4.963 11.130 1.00 65.53 H new ATOM 0 HD13 ILE A 59 -1.406 -3.335 10.888 1.00 65.53 H new ATOM 212 N PRO A 60 0.336 -3.866 16.980 1.00 51.31 N ATOM 213 CA PRO A 60 -0.146 -3.449 18.291 1.00 62.34 C ATOM 214 C PRO A 60 -0.526 -1.972 18.310 1.00 75.21 C ATOM 215 O PRO A 60 -1.613 -1.598 18.749 1.00 43.22 O ATOM 216 CB PRO A 60 1.052 -3.710 19.221 1.00 21.21 C ATOM 217 CG PRO A 60 2.159 -4.227 18.351 1.00 64.34 C ATOM 218 CD PRO A 60 1.796 -3.879 16.937 1.00 62.13 C ATOM 0 HA PRO A 60 -1.047 -3.986 18.587 1.00 62.34 H new ATOM 0 HB2 PRO A 60 1.354 -2.795 19.731 1.00 21.21 H new ATOM 0 HB3 PRO A 60 0.794 -4.435 19.993 1.00 21.21 H new ATOM 0 HG2 PRO A 60 3.112 -3.776 18.628 1.00 64.34 H new ATOM 0 HG3 PRO A 60 2.271 -5.305 18.467 1.00 64.34 H new ATOM 0 HD2 PRO A 60 2.202 -2.912 16.640 1.00 62.13 H new ATOM 0 HD3 PRO A 60 2.175 -4.615 16.228 1.00 62.13 H new ATOM 226 N GLN A 61 0.378 -1.142 17.815 1.00 43.14 N ATOM 227 CA GLN A 61 0.170 0.295 17.786 1.00 65.54 C ATOM 228 C GLN A 61 0.051 0.787 16.351 1.00 43.14 C ATOM 229 O GLN A 61 0.653 0.209 15.443 1.00 75.21 O ATOM 230 CB GLN A 61 1.327 1.009 18.488 1.00 70.30 C ATOM 231 CG GLN A 61 1.381 0.757 19.985 1.00 22.20 C ATOM 232 CD GLN A 61 0.135 1.245 20.695 1.00 75.11 C ATOM 233 OE1 GLN A 61 -0.827 0.500 20.877 1.00 20.15 O ATOM 234 NE2 GLN A 61 0.135 2.506 21.084 1.00 14.40 N ATOM 0 H GLN A 61 1.271 -1.444 17.425 1.00 43.14 H new ATOM 0 HA GLN A 61 -0.758 0.521 18.311 1.00 65.54 H new ATOM 0 HB2 GLN A 61 2.267 0.686 18.040 1.00 70.30 H new ATOM 0 HB3 GLN A 61 1.241 2.081 18.312 1.00 70.30 H new ATOM 0 HG2 GLN A 61 1.506 -0.310 20.167 1.00 22.20 H new ATOM 0 HG3 GLN A 61 2.255 1.256 20.404 1.00 22.20 H new ATOM 0 HE21 GLN A 61 0.953 3.092 20.915 1.00 14.40 H new ATOM 0 HE22 GLN A 61 -0.683 2.895 21.554 1.00 14.40 H new ATOM 243 N PRO A 62 -0.727 1.860 16.129 1.00 5.03 N ATOM 244 CA PRO A 62 -0.917 2.459 14.802 1.00 1.14 C ATOM 245 C PRO A 62 0.322 3.218 14.320 1.00 32.00 C ATOM 246 O PRO A 62 0.237 4.382 13.928 1.00 25.43 O ATOM 247 CB PRO A 62 -2.093 3.433 15.003 1.00 33.11 C ATOM 248 CG PRO A 62 -2.645 3.135 16.358 1.00 33.34 C ATOM 249 CD PRO A 62 -1.507 2.569 17.152 1.00 44.13 C ATOM 0 HA PRO A 62 -1.102 1.699 14.043 1.00 1.14 H new ATOM 0 HB2 PRO A 62 -1.758 4.468 14.937 1.00 33.11 H new ATOM 0 HB3 PRO A 62 -2.852 3.293 14.233 1.00 33.11 H new ATOM 0 HG2 PRO A 62 -3.037 4.038 16.827 1.00 33.34 H new ATOM 0 HG3 PRO A 62 -3.469 2.424 16.296 1.00 33.34 H new ATOM 0 HD2 PRO A 62 -0.923 3.351 17.638 1.00 44.13 H new ATOM 0 HD3 PRO A 62 -1.854 1.896 17.936 1.00 44.13 H new ATOM 257 N LYS A 63 1.470 2.552 14.345 1.00 34.34 N ATOM 258 CA LYS A 63 2.716 3.143 13.873 1.00 54.32 C ATOM 259 C LYS A 63 2.777 3.086 12.348 1.00 14.41 C ATOM 260 O LYS A 63 3.481 3.866 11.707 1.00 42.32 O ATOM 261 CB LYS A 63 3.915 2.406 14.484 1.00 23.04 C ATOM 262 CG LYS A 63 5.283 2.965 14.093 1.00 21.14 C ATOM 263 CD LYS A 63 5.652 4.227 14.873 1.00 12.53 C ATOM 264 CE LYS A 63 4.835 5.442 14.449 1.00 60.25 C ATOM 265 NZ LYS A 63 5.224 6.661 15.208 1.00 33.14 N ATOM 0 H LYS A 63 1.564 1.596 14.689 1.00 34.34 H new ATOM 0 HA LYS A 63 2.754 4.187 14.186 1.00 54.32 H new ATOM 0 HB2 LYS A 63 3.825 2.434 15.570 1.00 23.04 H new ATOM 0 HB3 LYS A 63 3.869 1.358 14.187 1.00 23.04 H new ATOM 0 HG2 LYS A 63 6.044 2.203 14.263 1.00 21.14 H new ATOM 0 HG3 LYS A 63 5.288 3.188 13.026 1.00 21.14 H new ATOM 0 HD2 LYS A 63 5.502 4.048 15.938 1.00 12.53 H new ATOM 0 HD3 LYS A 63 6.712 4.440 14.731 1.00 12.53 H new ATOM 0 HE2 LYS A 63 4.973 5.619 13.382 1.00 60.25 H new ATOM 0 HE3 LYS A 63 3.775 5.240 14.604 1.00 60.25 H new ATOM 0 HZ1 LYS A 63 4.647 7.466 14.892 1.00 33.14 H new ATOM 0 HZ2 LYS A 63 5.069 6.502 16.224 1.00 33.14 H new ATOM 0 HZ3 LYS A 63 6.229 6.869 15.040 1.00 33.14 H new ATOM 279 N ASN A 64 2.033 2.151 11.776 1.00 11.52 N ATOM 280 CA ASN A 64 1.956 2.005 10.332 1.00 41.02 C ATOM 281 C ASN A 64 0.791 2.802 9.770 1.00 70.44 C ATOM 282 O ASN A 64 -0.227 3.019 10.431 1.00 65.51 O ATOM 283 CB ASN A 64 1.835 0.530 9.925 1.00 32.25 C ATOM 284 CG ASN A 64 0.772 -0.221 10.707 1.00 60.32 C ATOM 285 OD1 ASN A 64 -0.133 0.371 11.271 1.00 25.40 O ATOM 286 ND2 ASN A 64 0.858 -1.537 10.716 1.00 50.21 N ATOM 0 H ASN A 64 1.470 1.478 12.296 1.00 11.52 H new ATOM 0 HA ASN A 64 2.882 2.398 9.913 1.00 41.02 H new ATOM 0 HB2 ASN A 64 1.604 0.471 8.861 1.00 32.25 H new ATOM 0 HB3 ASN A 64 2.798 0.040 10.070 1.00 32.25 H new ATOM 0 HD21 ASN A 64 0.155 -2.091 11.205 1.00 50.21 H new ATOM 0 HD22 ASN A 64 1.628 -2.001 10.234 1.00 50.21 H new ATOM 293 N THR A 65 0.962 3.231 8.542 1.00 0.21 N ATOM 294 CA THR A 65 -0.035 4.011 7.845 1.00 60.15 C ATOM 295 C THR A 65 -1.291 3.186 7.577 1.00 34.14 C ATOM 296 O THR A 65 -2.389 3.729 7.443 1.00 33.14 O ATOM 297 CB THR A 65 0.556 4.504 6.523 1.00 23.43 C ATOM 298 OG1 THR A 65 1.149 3.391 5.848 1.00 55.53 O ATOM 299 CG2 THR A 65 1.615 5.568 6.768 1.00 45.02 C ATOM 0 H THR A 65 1.802 3.048 7.994 1.00 0.21 H new ATOM 0 HA THR A 65 -0.319 4.859 8.469 1.00 60.15 H new ATOM 0 HB THR A 65 -0.237 4.943 5.917 1.00 23.43 H new ATOM 0 HG1 THR A 65 1.449 3.670 4.958 1.00 55.53 H new ATOM 0 HG21 THR A 65 2.021 5.904 5.814 1.00 45.02 H new ATOM 0 HG22 THR A 65 1.167 6.414 7.289 1.00 45.02 H new ATOM 0 HG23 THR A 65 2.417 5.150 7.377 1.00 45.02 H new ATOM 307 N VAL A 66 -1.122 1.867 7.517 1.00 2.54 N ATOM 308 CA VAL A 66 -2.233 0.967 7.245 1.00 21.14 C ATOM 309 C VAL A 66 -3.237 0.987 8.394 1.00 52.11 C ATOM 310 O VAL A 66 -4.440 0.845 8.188 1.00 11.10 O ATOM 311 CB VAL A 66 -1.750 -0.481 6.982 1.00 62.24 C ATOM 312 CG1 VAL A 66 -0.595 -0.485 5.996 1.00 31.42 C ATOM 313 CG2 VAL A 66 -1.360 -1.191 8.265 1.00 42.05 C ATOM 0 H VAL A 66 -0.225 1.401 7.654 1.00 2.54 H new ATOM 0 HA VAL A 66 -2.724 1.324 6.339 1.00 21.14 H new ATOM 0 HB VAL A 66 -2.586 -1.031 6.549 1.00 62.24 H new ATOM 0 HG11 VAL A 66 -0.268 -1.510 5.823 1.00 31.42 H new ATOM 0 HG12 VAL A 66 -0.919 -0.043 5.054 1.00 31.42 H new ATOM 0 HG13 VAL A 66 0.233 0.096 6.403 1.00 31.42 H new ATOM 0 HG21 VAL A 66 -1.028 -2.203 8.034 1.00 42.05 H new ATOM 0 HG22 VAL A 66 -0.551 -0.645 8.751 1.00 42.05 H new ATOM 0 HG23 VAL A 66 -2.221 -1.235 8.932 1.00 42.05 H new ATOM 323 N ALA A 67 -2.741 1.193 9.608 1.00 22.53 N ATOM 324 CA ALA A 67 -3.608 1.284 10.766 1.00 30.24 C ATOM 325 C ALA A 67 -4.301 2.637 10.788 1.00 32.42 C ATOM 326 O ALA A 67 -5.452 2.746 11.205 1.00 13.41 O ATOM 327 CB ALA A 67 -2.819 1.054 12.042 1.00 42.52 C ATOM 0 H ALA A 67 -1.747 1.299 9.811 1.00 22.53 H new ATOM 0 HA ALA A 67 -4.370 0.507 10.701 1.00 30.24 H new ATOM 0 HB1 ALA A 67 -3.487 1.126 12.901 1.00 42.52 H new ATOM 0 HB2 ALA A 67 -2.367 0.063 12.016 1.00 42.52 H new ATOM 0 HB3 ALA A 67 -2.036 1.808 12.127 1.00 42.52 H new ATOM 333 N MET A 68 -3.601 3.663 10.307 1.00 53.31 N ATOM 334 CA MET A 68 -4.182 4.999 10.208 1.00 32.34 C ATOM 335 C MET A 68 -5.354 4.979 9.233 1.00 10.51 C ATOM 336 O MET A 68 -6.348 5.678 9.430 1.00 4.13 O ATOM 337 CB MET A 68 -3.148 6.031 9.745 1.00 1.31 C ATOM 338 CG MET A 68 -1.789 5.875 10.398 1.00 63.11 C ATOM 339 SD MET A 68 -0.728 7.318 10.179 1.00 64.30 S ATOM 340 CE MET A 68 -1.702 8.571 11.005 1.00 31.40 C ATOM 0 H MET A 68 -2.637 3.595 9.982 1.00 53.31 H new ATOM 0 HA MET A 68 -4.527 5.288 11.201 1.00 32.34 H new ATOM 0 HB2 MET A 68 -3.032 5.954 8.664 1.00 1.31 H new ATOM 0 HB3 MET A 68 -3.528 7.031 9.955 1.00 1.31 H new ATOM 0 HG2 MET A 68 -1.924 5.689 11.464 1.00 63.11 H new ATOM 0 HG3 MET A 68 -1.291 4.999 9.982 1.00 63.11 H new ATOM 0 HE1 MET A 68 -1.048 9.203 11.605 1.00 31.40 H new ATOM 0 HE2 MET A 68 -2.215 9.182 10.262 1.00 31.40 H new ATOM 0 HE3 MET A 68 -2.437 8.093 11.652 1.00 31.40 H new ATOM 350 N LEU A 69 -5.230 4.167 8.186 1.00 4.01 N ATOM 351 CA LEU A 69 -6.311 3.980 7.228 1.00 5.03 C ATOM 352 C LEU A 69 -7.523 3.339 7.892 1.00 64.44 C ATOM 353 O LEU A 69 -8.655 3.726 7.620 1.00 4.13 O ATOM 354 CB LEU A 69 -5.856 3.124 6.043 1.00 24.23 C ATOM 355 CG LEU A 69 -5.505 3.893 4.767 1.00 33.32 C ATOM 356 CD1 LEU A 69 -5.165 2.925 3.647 1.00 41.44 C ATOM 357 CD2 LEU A 69 -6.657 4.796 4.357 1.00 51.54 C ATOM 0 H LEU A 69 -4.389 3.628 7.981 1.00 4.01 H new ATOM 0 HA LEU A 69 -6.593 4.966 6.858 1.00 5.03 H new ATOM 0 HB2 LEU A 69 -4.984 2.546 6.349 1.00 24.23 H new ATOM 0 HB3 LEU A 69 -6.646 2.410 5.810 1.00 24.23 H new ATOM 0 HG LEU A 69 -4.633 4.516 4.965 1.00 33.32 H new ATOM 0 HD11 LEU A 69 -4.917 3.485 2.745 1.00 41.44 H new ATOM 0 HD12 LEU A 69 -4.312 2.314 3.941 1.00 41.44 H new ATOM 0 HD13 LEU A 69 -6.022 2.281 3.450 1.00 41.44 H new ATOM 0 HD21 LEU A 69 -6.391 5.335 3.448 1.00 51.54 H new ATOM 0 HD22 LEU A 69 -7.545 4.192 4.173 1.00 51.54 H new ATOM 0 HD23 LEU A 69 -6.862 5.509 5.155 1.00 51.54 H new ATOM 369 N ASN A 70 -7.282 2.388 8.792 1.00 74.21 N ATOM 370 CA ASN A 70 -8.373 1.692 9.481 1.00 72.54 C ATOM 371 C ASN A 70 -9.091 2.640 10.432 1.00 43.31 C ATOM 372 O ASN A 70 -10.235 2.408 10.827 1.00 71.12 O ATOM 373 CB ASN A 70 -7.854 0.474 10.256 1.00 35.33 C ATOM 374 CG ASN A 70 -7.673 -0.756 9.382 1.00 2.11 C ATOM 375 OD1 ASN A 70 -8.603 -1.547 9.202 1.00 73.40 O ATOM 376 ND2 ASN A 70 -6.477 -0.942 8.844 1.00 50.44 N ATOM 0 H ASN A 70 -6.347 2.081 9.062 1.00 74.21 H new ATOM 0 HA ASN A 70 -9.075 1.344 8.723 1.00 72.54 H new ATOM 0 HB2 ASN A 70 -6.901 0.726 10.721 1.00 35.33 H new ATOM 0 HB3 ASN A 70 -8.550 0.240 11.062 1.00 35.33 H new ATOM 0 HD21 ASN A 70 -6.302 -1.760 8.260 1.00 50.44 H new ATOM 0 HD22 ASN A 70 -5.731 -0.268 9.014 1.00 50.44 H new ATOM 383 N GLU A 71 -8.400 3.706 10.799 1.00 31.10 N ATOM 384 CA GLU A 71 -8.972 4.756 11.625 1.00 61.41 C ATOM 385 C GLU A 71 -9.825 5.694 10.777 1.00 42.21 C ATOM 386 O GLU A 71 -10.762 6.323 11.269 1.00 3.23 O ATOM 387 CB GLU A 71 -7.849 5.550 12.287 1.00 43.31 C ATOM 388 CG GLU A 71 -6.952 4.708 13.173 1.00 62.23 C ATOM 389 CD GLU A 71 -7.575 4.423 14.520 1.00 74.41 C ATOM 390 OE1 GLU A 71 -7.790 5.380 15.291 1.00 54.23 O ATOM 391 OE2 GLU A 71 -7.867 3.247 14.812 1.00 73.21 O ATOM 0 H GLU A 71 -7.429 3.868 10.533 1.00 31.10 H new ATOM 0 HA GLU A 71 -9.602 4.300 12.388 1.00 61.41 H new ATOM 0 HB2 GLU A 71 -7.243 6.021 11.513 1.00 43.31 H new ATOM 0 HB3 GLU A 71 -8.285 6.352 12.883 1.00 43.31 H new ATOM 0 HG2 GLU A 71 -6.732 3.766 12.671 1.00 62.23 H new ATOM 0 HG3 GLU A 71 -6.002 5.222 13.317 1.00 62.23 H new ATOM 398 N LEU A 72 -9.493 5.775 9.498 1.00 24.33 N ATOM 399 CA LEU A 72 -10.150 6.706 8.594 1.00 70.12 C ATOM 400 C LEU A 72 -11.283 6.035 7.826 1.00 21.41 C ATOM 401 O LEU A 72 -12.456 6.324 8.058 1.00 53.50 O ATOM 402 CB LEU A 72 -9.131 7.283 7.608 1.00 4.41 C ATOM 403 CG LEU A 72 -7.984 8.067 8.246 1.00 40.04 C ATOM 404 CD1 LEU A 72 -6.945 8.438 7.201 1.00 11.43 C ATOM 405 CD2 LEU A 72 -8.511 9.313 8.938 1.00 54.43 C ATOM 0 H LEU A 72 -8.769 5.204 9.061 1.00 24.33 H new ATOM 0 HA LEU A 72 -10.577 7.509 9.195 1.00 70.12 H new ATOM 0 HB2 LEU A 72 -8.710 6.465 7.024 1.00 4.41 H new ATOM 0 HB3 LEU A 72 -9.654 7.937 6.910 1.00 4.41 H new ATOM 0 HG LEU A 72 -7.508 7.432 8.994 1.00 40.04 H new ATOM 0 HD11 LEU A 72 -6.136 8.996 7.674 1.00 11.43 H new ATOM 0 HD12 LEU A 72 -6.544 7.531 6.748 1.00 11.43 H new ATOM 0 HD13 LEU A 72 -7.408 9.054 6.430 1.00 11.43 H new ATOM 0 HD21 LEU A 72 -7.681 9.859 9.386 1.00 54.43 H new ATOM 0 HD22 LEU A 72 -9.012 9.950 8.209 1.00 54.43 H new ATOM 0 HD23 LEU A 72 -9.219 9.026 9.716 1.00 54.43 H new ATOM 417 N ARG A 73 -10.925 5.122 6.932 1.00 13.34 N ATOM 418 CA ARG A 73 -11.880 4.551 5.992 1.00 25.30 C ATOM 419 C ARG A 73 -11.744 3.037 5.931 1.00 54.11 C ATOM 420 O ARG A 73 -10.633 2.507 5.912 1.00 63.10 O ATOM 421 CB ARG A 73 -11.655 5.141 4.594 1.00 31.44 C ATOM 422 CG ARG A 73 -11.749 6.658 4.550 1.00 55.31 C ATOM 423 CD ARG A 73 -13.156 7.136 4.852 1.00 54.22 C ATOM 424 NE ARG A 73 -14.080 6.804 3.774 1.00 10.23 N ATOM 425 CZ ARG A 73 -15.405 6.791 3.903 1.00 64.33 C ATOM 426 NH1 ARG A 73 -15.966 7.051 5.080 1.00 62.01 N ATOM 427 NH2 ARG A 73 -16.166 6.512 2.855 1.00 54.05 N ATOM 0 H ARG A 73 -9.976 4.760 6.838 1.00 13.34 H new ATOM 0 HA ARG A 73 -12.884 4.797 6.337 1.00 25.30 H new ATOM 0 HB2 ARG A 73 -10.672 4.836 4.234 1.00 31.44 H new ATOM 0 HB3 ARG A 73 -12.391 4.720 3.909 1.00 31.44 H new ATOM 0 HG2 ARG A 73 -11.055 7.088 5.272 1.00 55.31 H new ATOM 0 HG3 ARG A 73 -11.446 7.014 3.565 1.00 55.31 H new ATOM 0 HD2 ARG A 73 -13.503 6.684 5.781 1.00 54.22 H new ATOM 0 HD3 ARG A 73 -13.149 8.215 5.006 1.00 54.22 H new ATOM 0 HE ARG A 73 -13.686 6.567 2.863 1.00 10.23 H new ATOM 0 HH11 ARG A 73 -15.381 7.261 5.888 1.00 62.01 H new ATOM 0 HH12 ARG A 73 -16.982 7.040 5.174 1.00 62.01 H new ATOM 0 HH21 ARG A 73 -15.736 6.308 1.953 1.00 54.05 H new ATOM 0 HH22 ARG A 73 -17.181 6.501 2.951 1.00 54.05 H new ATOM 441 N HIS A 74 -12.873 2.343 5.907 1.00 52.51 N ATOM 442 CA HIS A 74 -12.866 0.894 5.750 1.00 44.25 C ATOM 443 C HIS A 74 -12.883 0.529 4.271 1.00 13.32 C ATOM 444 O HIS A 74 -13.010 1.403 3.413 1.00 50.53 O ATOM 445 CB HIS A 74 -14.052 0.239 6.481 1.00 55.22 C ATOM 446 CG HIS A 74 -15.413 0.723 6.058 1.00 0.34 C ATOM 447 ND1 HIS A 74 -16.365 1.182 6.939 1.00 63.11 N ATOM 448 CD2 HIS A 74 -15.982 0.795 4.826 1.00 22.52 C ATOM 449 CE1 HIS A 74 -17.456 1.508 6.236 1.00 41.12 C ATOM 450 NE2 HIS A 74 -17.273 1.293 4.946 1.00 20.11 N ATOM 0 H HIS A 74 -13.801 2.756 5.994 1.00 52.51 H new ATOM 0 HA HIS A 74 -11.951 0.511 6.202 1.00 44.25 H new ATOM 0 HB2 HIS A 74 -14.003 -0.839 6.326 1.00 55.22 H new ATOM 0 HB3 HIS A 74 -13.939 0.412 7.551 1.00 55.22 H new ATOM 0 HD2 HIS A 74 -15.505 0.510 3.900 1.00 22.52 H new ATOM 0 HE1 HIS A 74 -18.367 1.896 6.667 1.00 41.12 H new ATOM 0 HE2 HIS A 74 -17.941 1.458 4.193 1.00 20.11 H new ATOM 458 N GLY A 75 -12.766 -0.757 3.979 1.00 5.05 N ATOM 459 CA GLY A 75 -12.738 -1.193 2.601 1.00 45.44 C ATOM 460 C GLY A 75 -11.375 -0.991 1.979 1.00 24.25 C ATOM 461 O GLY A 75 -11.261 -0.714 0.791 1.00 44.42 O ATOM 0 H GLY A 75 -12.690 -1.504 4.670 1.00 5.05 H new ATOM 0 HA2 GLY A 75 -13.010 -2.247 2.547 1.00 45.44 H new ATOM 0 HA3 GLY A 75 -13.484 -0.641 2.029 1.00 45.44 H new ATOM 465 N LEU A 76 -10.339 -1.123 2.792 1.00 22.15 N ATOM 466 CA LEU A 76 -8.973 -0.959 2.326 1.00 11.21 C ATOM 467 C LEU A 76 -8.367 -2.315 1.970 1.00 11.32 C ATOM 468 O LEU A 76 -7.792 -3.003 2.813 1.00 55.42 O ATOM 469 CB LEU A 76 -8.110 -0.228 3.376 1.00 15.45 C ATOM 470 CG LEU A 76 -8.082 -0.838 4.787 1.00 40.21 C ATOM 471 CD1 LEU A 76 -6.874 -0.330 5.551 1.00 45.21 C ATOM 472 CD2 LEU A 76 -9.349 -0.500 5.561 1.00 23.33 C ATOM 0 H LEU A 76 -10.420 -1.345 3.784 1.00 22.15 H new ATOM 0 HA LEU A 76 -8.991 -0.342 1.427 1.00 11.21 H new ATOM 0 HB2 LEU A 76 -7.086 -0.182 3.004 1.00 15.45 H new ATOM 0 HB3 LEU A 76 -8.467 0.799 3.455 1.00 15.45 H new ATOM 0 HG LEU A 76 -8.021 -1.921 4.680 1.00 40.21 H new ATOM 0 HD11 LEU A 76 -6.864 -0.768 6.549 1.00 45.21 H new ATOM 0 HD12 LEU A 76 -5.964 -0.612 5.022 1.00 45.21 H new ATOM 0 HD13 LEU A 76 -6.925 0.756 5.632 1.00 45.21 H new ATOM 0 HD21 LEU A 76 -9.298 -0.946 6.554 1.00 23.33 H new ATOM 0 HD22 LEU A 76 -9.441 0.582 5.653 1.00 23.33 H new ATOM 0 HD23 LEU A 76 -10.216 -0.894 5.030 1.00 23.33 H new ATOM 484 N ILE A 77 -8.532 -2.716 0.717 1.00 51.50 N ATOM 485 CA ILE A 77 -8.042 -4.010 0.270 1.00 1.43 C ATOM 486 C ILE A 77 -6.639 -3.888 -0.306 1.00 44.01 C ATOM 487 O ILE A 77 -6.455 -3.365 -1.409 1.00 53.02 O ATOM 488 CB ILE A 77 -8.954 -4.655 -0.800 1.00 41.34 C ATOM 489 CG1 ILE A 77 -10.416 -4.679 -0.347 1.00 53.45 C ATOM 490 CG2 ILE A 77 -8.479 -6.066 -1.116 1.00 22.13 C ATOM 491 CD1 ILE A 77 -11.193 -3.443 -0.745 1.00 32.42 C ATOM 0 H ILE A 77 -8.999 -2.166 -0.004 1.00 51.50 H new ATOM 0 HA ILE A 77 -8.037 -4.650 1.152 1.00 1.43 H new ATOM 0 HB ILE A 77 -8.892 -4.047 -1.702 1.00 41.34 H new ATOM 0 HG12 ILE A 77 -10.904 -5.557 -0.770 1.00 53.45 H new ATOM 0 HG13 ILE A 77 -10.450 -4.786 0.737 1.00 53.45 H new ATOM 0 HG21 ILE A 77 -9.130 -6.508 -1.870 1.00 22.13 H new ATOM 0 HG22 ILE A 77 -7.457 -6.030 -1.494 1.00 22.13 H new ATOM 0 HG23 ILE A 77 -8.510 -6.672 -0.210 1.00 22.13 H new ATOM 0 HD11 ILE A 77 -12.220 -3.529 -0.391 1.00 32.42 H new ATOM 0 HD12 ILE A 77 -10.729 -2.563 -0.300 1.00 32.42 H new ATOM 0 HD13 ILE A 77 -11.190 -3.345 -1.831 1.00 32.42 H new ATOM 503 N TYR A 78 -5.655 -4.353 0.450 1.00 62.02 N ATOM 504 CA TYR A 78 -4.280 -4.407 -0.029 1.00 13.51 C ATOM 505 C TYR A 78 -4.066 -5.689 -0.817 1.00 43.12 C ATOM 506 O TYR A 78 -4.611 -6.734 -0.460 1.00 72.12 O ATOM 507 CB TYR A 78 -3.289 -4.363 1.139 1.00 61.15 C ATOM 508 CG TYR A 78 -3.399 -3.137 2.010 1.00 1.40 C ATOM 509 CD1 TYR A 78 -2.764 -1.951 1.660 1.00 12.51 C ATOM 510 CD2 TYR A 78 -4.120 -3.170 3.197 1.00 53.40 C ATOM 511 CE1 TYR A 78 -2.848 -0.833 2.467 1.00 2.33 C ATOM 512 CE2 TYR A 78 -4.210 -2.057 4.006 1.00 45.02 C ATOM 513 CZ TYR A 78 -3.573 -0.893 3.637 1.00 74.45 C ATOM 514 OH TYR A 78 -3.660 0.212 4.443 1.00 51.15 O ATOM 0 H TYR A 78 -5.783 -4.700 1.401 1.00 62.02 H new ATOM 0 HA TYR A 78 -4.106 -3.540 -0.667 1.00 13.51 H new ATOM 0 HB2 TYR A 78 -3.438 -5.247 1.759 1.00 61.15 H new ATOM 0 HB3 TYR A 78 -2.276 -4.420 0.741 1.00 61.15 H new ATOM 0 HD1 TYR A 78 -2.196 -1.903 0.743 1.00 12.51 H new ATOM 0 HD2 TYR A 78 -4.618 -4.082 3.491 1.00 53.40 H new ATOM 0 HE1 TYR A 78 -2.349 0.082 2.183 1.00 2.33 H new ATOM 0 HE2 TYR A 78 -4.777 -2.098 4.924 1.00 45.02 H new ATOM 0 HH TYR A 78 -3.992 -0.053 5.326 1.00 51.15 H new ATOM 524 N LYS A 79 -3.295 -5.615 -1.889 1.00 25.01 N ATOM 525 CA LYS A 79 -2.983 -6.801 -2.672 1.00 53.42 C ATOM 526 C LYS A 79 -1.664 -6.614 -3.408 1.00 45.32 C ATOM 527 O LYS A 79 -1.358 -5.519 -3.880 1.00 21.34 O ATOM 528 CB LYS A 79 -4.112 -7.091 -3.666 1.00 1.20 C ATOM 529 CG LYS A 79 -4.206 -6.084 -4.804 1.00 35.13 C ATOM 530 CD LYS A 79 -5.554 -6.142 -5.496 1.00 44.51 C ATOM 531 CE LYS A 79 -6.647 -5.593 -4.604 1.00 20.01 C ATOM 532 NZ LYS A 79 -6.475 -4.137 -4.337 1.00 41.55 N ATOM 0 H LYS A 79 -2.875 -4.753 -2.236 1.00 25.01 H new ATOM 0 HA LYS A 79 -2.887 -7.651 -1.997 1.00 53.42 H new ATOM 0 HB2 LYS A 79 -3.966 -8.086 -4.086 1.00 1.20 H new ATOM 0 HB3 LYS A 79 -5.060 -7.107 -3.129 1.00 1.20 H new ATOM 0 HG2 LYS A 79 -4.040 -5.079 -4.415 1.00 35.13 H new ATOM 0 HG3 LYS A 79 -3.416 -6.280 -5.529 1.00 35.13 H new ATOM 0 HD2 LYS A 79 -5.515 -5.570 -6.423 1.00 44.51 H new ATOM 0 HD3 LYS A 79 -5.784 -7.173 -5.766 1.00 44.51 H new ATOM 0 HE2 LYS A 79 -7.616 -5.763 -5.073 1.00 20.01 H new ATOM 0 HE3 LYS A 79 -6.650 -6.136 -3.659 1.00 20.01 H new ATOM 0 HZ1 LYS A 79 -7.289 -3.785 -3.794 1.00 41.55 H new ATOM 0 HZ2 LYS A 79 -5.603 -3.985 -3.792 1.00 41.55 H new ATOM 0 HZ3 LYS A 79 -6.413 -3.624 -5.239 1.00 41.55 H new ATOM 546 N LEU A 80 -0.874 -7.673 -3.479 1.00 13.45 N ATOM 547 CA LEU A 80 0.368 -7.637 -4.232 1.00 75.11 C ATOM 548 C LEU A 80 0.064 -7.827 -5.709 1.00 33.04 C ATOM 549 O LEU A 80 -0.161 -8.948 -6.167 1.00 4.31 O ATOM 550 CB LEU A 80 1.335 -8.725 -3.752 1.00 15.32 C ATOM 551 CG LEU A 80 2.711 -8.707 -4.423 1.00 13.25 C ATOM 552 CD1 LEU A 80 3.472 -7.451 -4.036 1.00 43.13 C ATOM 553 CD2 LEU A 80 3.505 -9.951 -4.059 1.00 63.14 C ATOM 0 H LEU A 80 -1.070 -8.565 -3.026 1.00 13.45 H new ATOM 0 HA LEU A 80 0.845 -6.670 -4.074 1.00 75.11 H new ATOM 0 HB2 LEU A 80 1.471 -8.621 -2.676 1.00 15.32 H new ATOM 0 HB3 LEU A 80 0.877 -9.699 -3.923 1.00 15.32 H new ATOM 0 HG LEU A 80 2.567 -8.703 -5.503 1.00 13.25 H new ATOM 0 HD11 LEU A 80 4.448 -7.453 -4.521 1.00 43.13 H new ATOM 0 HD12 LEU A 80 2.910 -6.573 -4.354 1.00 43.13 H new ATOM 0 HD13 LEU A 80 3.604 -7.425 -2.954 1.00 43.13 H new ATOM 0 HD21 LEU A 80 4.479 -9.917 -4.547 1.00 63.14 H new ATOM 0 HD22 LEU A 80 3.642 -9.992 -2.978 1.00 63.14 H new ATOM 0 HD23 LEU A 80 2.964 -10.838 -4.390 1.00 63.14 H new ATOM 565 N GLU A 81 0.025 -6.730 -6.447 1.00 64.13 N ATOM 566 CA GLU A 81 -0.331 -6.795 -7.856 1.00 64.14 C ATOM 567 C GLU A 81 0.895 -7.052 -8.720 1.00 51.32 C ATOM 568 O GLU A 81 0.813 -7.738 -9.738 1.00 0.10 O ATOM 569 CB GLU A 81 -1.041 -5.518 -8.314 1.00 63.35 C ATOM 570 CG GLU A 81 -0.231 -4.244 -8.134 1.00 62.50 C ATOM 571 CD GLU A 81 -0.548 -3.226 -9.204 1.00 73.14 C ATOM 572 OE1 GLU A 81 -1.669 -2.671 -9.200 1.00 12.13 O ATOM 573 OE2 GLU A 81 0.313 -3.004 -10.083 1.00 22.21 O ATOM 0 H GLU A 81 0.233 -5.794 -6.100 1.00 64.13 H new ATOM 0 HA GLU A 81 -1.021 -7.630 -7.976 1.00 64.14 H new ATOM 0 HB2 GLU A 81 -1.302 -5.621 -9.367 1.00 63.35 H new ATOM 0 HB3 GLU A 81 -1.976 -5.420 -7.762 1.00 63.35 H new ATOM 0 HG2 GLU A 81 -0.437 -3.817 -7.153 1.00 62.50 H new ATOM 0 HG3 GLU A 81 0.832 -4.482 -8.161 1.00 62.50 H new ATOM 580 N SER A 82 2.033 -6.526 -8.295 1.00 34.42 N ATOM 581 CA SER A 82 3.261 -6.647 -9.063 1.00 21.03 C ATOM 582 C SER A 82 4.439 -6.930 -8.135 1.00 23.21 C ATOM 583 O SER A 82 4.499 -6.399 -7.026 1.00 75.30 O ATOM 584 CB SER A 82 3.508 -5.355 -9.852 1.00 23.12 C ATOM 585 OG SER A 82 2.372 -5.004 -10.633 1.00 23.24 O ATOM 0 H SER A 82 2.131 -6.010 -7.420 1.00 34.42 H new ATOM 0 HA SER A 82 3.162 -7.478 -9.761 1.00 21.03 H new ATOM 0 HB2 SER A 82 3.743 -4.544 -9.163 1.00 23.12 H new ATOM 0 HB3 SER A 82 4.374 -5.482 -10.502 1.00 23.12 H new ATOM 0 HG SER A 82 1.852 -4.319 -10.164 1.00 23.24 H new ATOM 591 N GLN A 83 5.361 -7.772 -8.579 1.00 2.31 N ATOM 592 CA GLN A 83 6.559 -8.066 -7.807 1.00 11.00 C ATOM 593 C GLN A 83 7.712 -8.376 -8.754 1.00 5.24 C ATOM 594 O GLN A 83 7.698 -9.389 -9.454 1.00 41.13 O ATOM 595 CB GLN A 83 6.309 -9.236 -6.843 1.00 71.12 C ATOM 596 CG GLN A 83 7.376 -9.387 -5.764 1.00 23.31 C ATOM 597 CD GLN A 83 8.653 -10.043 -6.262 1.00 14.13 C ATOM 598 OE1 GLN A 83 8.624 -10.907 -7.138 1.00 12.54 O ATOM 599 NE2 GLN A 83 9.782 -9.624 -5.719 1.00 2.10 N ATOM 0 H GLN A 83 5.302 -8.264 -9.471 1.00 2.31 H new ATOM 0 HA GLN A 83 6.821 -7.194 -7.208 1.00 11.00 H new ATOM 0 HB2 GLN A 83 5.339 -9.099 -6.364 1.00 71.12 H new ATOM 0 HB3 GLN A 83 6.253 -10.161 -7.417 1.00 71.12 H new ATOM 0 HG2 GLN A 83 7.616 -8.403 -5.361 1.00 23.31 H new ATOM 0 HG3 GLN A 83 6.970 -9.978 -4.943 1.00 23.31 H new ATOM 0 HE21 GLN A 83 9.764 -8.906 -4.995 1.00 2.10 H new ATOM 0 HE22 GLN A 83 10.672 -10.019 -6.024 1.00 2.10 H new ATOM 608 N THR A 84 8.696 -7.493 -8.782 1.00 52.35 N ATOM 609 CA THR A 84 9.831 -7.637 -9.678 1.00 30.31 C ATOM 610 C THR A 84 11.122 -7.206 -8.990 1.00 62.41 C ATOM 611 O THR A 84 11.088 -6.508 -7.980 1.00 63.11 O ATOM 612 CB THR A 84 9.629 -6.800 -10.961 1.00 20.33 C ATOM 613 OG1 THR A 84 9.258 -5.458 -10.619 1.00 62.31 O ATOM 614 CG2 THR A 84 8.557 -7.411 -11.852 1.00 0.32 C ATOM 0 H THR A 84 8.731 -6.663 -8.190 1.00 52.35 H new ATOM 0 HA THR A 84 9.905 -8.690 -9.949 1.00 30.31 H new ATOM 0 HB THR A 84 10.572 -6.792 -11.508 1.00 20.33 H new ATOM 0 HG1 THR A 84 9.134 -4.934 -11.438 1.00 62.31 H new ATOM 0 HG21 THR A 84 8.437 -6.801 -12.747 1.00 0.32 H new ATOM 0 HG22 THR A 84 8.853 -8.420 -12.138 1.00 0.32 H new ATOM 0 HG23 THR A 84 7.612 -7.450 -11.310 1.00 0.32 H new ATOM 622 N GLY A 85 12.255 -7.651 -9.511 1.00 32.35 N ATOM 623 CA GLY A 85 13.532 -7.188 -9.005 1.00 75.31 C ATOM 624 C GLY A 85 14.426 -8.326 -8.563 1.00 41.31 C ATOM 625 O GLY A 85 14.038 -9.493 -8.663 1.00 3.53 O ATOM 0 H GLY A 85 12.314 -8.324 -10.275 1.00 32.35 H new ATOM 0 HA2 GLY A 85 14.039 -6.612 -9.779 1.00 75.31 H new ATOM 0 HA3 GLY A 85 13.364 -6.515 -8.165 1.00 75.31 H new ATOM 629 N PRO A 86 15.636 -8.013 -8.075 1.00 32.32 N ATOM 630 CA PRO A 86 16.579 -9.019 -7.576 1.00 73.03 C ATOM 631 C PRO A 86 16.111 -9.624 -6.254 1.00 51.21 C ATOM 632 O PRO A 86 15.102 -9.203 -5.700 1.00 42.15 O ATOM 633 CB PRO A 86 17.872 -8.225 -7.380 1.00 25.01 C ATOM 634 CG PRO A 86 17.426 -6.824 -7.150 1.00 42.32 C ATOM 635 CD PRO A 86 16.180 -6.646 -7.971 1.00 74.40 C ATOM 0 HA PRO A 86 16.688 -9.863 -8.257 1.00 73.03 H new ATOM 0 HB2 PRO A 86 18.443 -8.603 -6.532 1.00 25.01 H new ATOM 0 HB3 PRO A 86 18.517 -8.296 -8.256 1.00 25.01 H new ATOM 0 HG2 PRO A 86 17.226 -6.647 -6.093 1.00 42.32 H new ATOM 0 HG3 PRO A 86 18.197 -6.115 -7.452 1.00 42.32 H new ATOM 0 HD2 PRO A 86 15.475 -5.969 -7.488 1.00 74.40 H new ATOM 0 HD3 PRO A 86 16.403 -6.227 -8.952 1.00 74.40 H new ATOM 643 N VAL A 87 16.844 -10.602 -5.743 1.00 41.22 N ATOM 644 CA VAL A 87 16.454 -11.255 -4.500 1.00 74.12 C ATOM 645 C VAL A 87 17.084 -10.553 -3.296 1.00 63.21 C ATOM 646 O VAL A 87 16.613 -10.683 -2.166 1.00 72.43 O ATOM 647 CB VAL A 87 16.831 -12.756 -4.502 1.00 55.11 C ATOM 648 CG1 VAL A 87 18.338 -12.953 -4.428 1.00 11.43 C ATOM 649 CG2 VAL A 87 16.129 -13.490 -3.370 1.00 63.32 C ATOM 0 H VAL A 87 17.702 -10.959 -6.163 1.00 41.22 H new ATOM 0 HA VAL A 87 15.369 -11.181 -4.421 1.00 74.12 H new ATOM 0 HB VAL A 87 16.492 -13.181 -5.446 1.00 55.11 H new ATOM 0 HG11 VAL A 87 18.566 -14.019 -4.431 1.00 11.43 H new ATOM 0 HG12 VAL A 87 18.810 -12.478 -5.288 1.00 11.43 H new ATOM 0 HG13 VAL A 87 18.719 -12.503 -3.511 1.00 11.43 H new ATOM 0 HG21 VAL A 87 16.409 -14.543 -3.391 1.00 63.32 H new ATOM 0 HG22 VAL A 87 16.425 -13.055 -2.415 1.00 63.32 H new ATOM 0 HG23 VAL A 87 15.050 -13.399 -3.491 1.00 63.32 H new ATOM 659 N HIS A 88 18.147 -9.792 -3.543 1.00 60.13 N ATOM 660 CA HIS A 88 18.793 -9.044 -2.473 1.00 51.41 C ATOM 661 C HIS A 88 18.015 -7.762 -2.189 1.00 2.32 C ATOM 662 O HIS A 88 18.080 -7.210 -1.090 1.00 35.32 O ATOM 663 CB HIS A 88 20.263 -8.728 -2.815 1.00 24.54 C ATOM 664 CG HIS A 88 20.458 -7.778 -3.961 1.00 10.44 C ATOM 665 ND1 HIS A 88 20.724 -8.172 -5.253 1.00 74.41 N ATOM 666 CD2 HIS A 88 20.426 -6.421 -3.984 1.00 61.34 C ATOM 667 CE1 HIS A 88 20.843 -7.069 -6.003 1.00 53.12 C ATOM 668 NE2 HIS A 88 20.670 -5.979 -5.281 1.00 51.52 N ATOM 0 H HIS A 88 18.573 -9.679 -4.463 1.00 60.13 H new ATOM 0 HA HIS A 88 18.793 -9.663 -1.576 1.00 51.41 H new ATOM 0 HB2 HIS A 88 20.744 -8.310 -1.931 1.00 24.54 H new ATOM 0 HB3 HIS A 88 20.775 -9.662 -3.046 1.00 24.54 H new ATOM 0 HD2 HIS A 88 20.241 -5.785 -3.131 1.00 61.34 H new ATOM 0 HE1 HIS A 88 21.053 -7.072 -7.062 1.00 53.12 H new ATOM 0 HE2 HIS A 88 20.707 -5.013 -5.606 1.00 51.52 H new ATOM 676 N ALA A 89 17.273 -7.295 -3.189 1.00 65.52 N ATOM 677 CA ALA A 89 16.452 -6.101 -3.044 1.00 4.13 C ATOM 678 C ALA A 89 15.301 -6.116 -4.042 1.00 22.41 C ATOM 679 O ALA A 89 15.337 -5.416 -5.054 1.00 54.03 O ATOM 680 CB ALA A 89 17.291 -4.844 -3.223 1.00 3.30 C ATOM 0 H ALA A 89 17.225 -7.728 -4.111 1.00 65.52 H new ATOM 0 HA ALA A 89 16.037 -6.097 -2.036 1.00 4.13 H new ATOM 0 HB1 ALA A 89 16.657 -3.964 -3.111 1.00 3.30 H new ATOM 0 HB2 ALA A 89 18.079 -4.822 -2.470 1.00 3.30 H new ATOM 0 HB3 ALA A 89 17.739 -4.844 -4.217 1.00 3.30 H new ATOM 686 N PRO A 90 14.272 -6.936 -3.788 1.00 42.34 N ATOM 687 CA PRO A 90 13.121 -7.031 -4.670 1.00 62.11 C ATOM 688 C PRO A 90 12.166 -5.865 -4.488 1.00 1.14 C ATOM 689 O PRO A 90 12.235 -5.133 -3.499 1.00 61.33 O ATOM 690 CB PRO A 90 12.433 -8.342 -4.272 1.00 61.23 C ATOM 691 CG PRO A 90 13.193 -8.895 -3.105 1.00 64.31 C ATOM 692 CD PRO A 90 14.145 -7.830 -2.632 1.00 32.25 C ATOM 0 HA PRO A 90 13.424 -7.008 -5.717 1.00 62.11 H new ATOM 0 HB2 PRO A 90 11.391 -8.166 -4.006 1.00 61.23 H new ATOM 0 HB3 PRO A 90 12.435 -9.047 -5.103 1.00 61.23 H new ATOM 0 HG2 PRO A 90 12.510 -9.180 -2.305 1.00 64.31 H new ATOM 0 HG3 PRO A 90 13.738 -9.794 -3.395 1.00 64.31 H new ATOM 0 HD2 PRO A 90 13.756 -7.304 -1.760 1.00 32.25 H new ATOM 0 HD3 PRO A 90 15.108 -8.253 -2.345 1.00 32.25 H new ATOM 700 N LEU A 91 11.282 -5.689 -5.445 1.00 61.21 N ATOM 701 CA LEU A 91 10.312 -4.622 -5.392 1.00 53.34 C ATOM 702 C LEU A 91 8.904 -5.206 -5.373 1.00 64.14 C ATOM 703 O LEU A 91 8.480 -5.882 -6.312 1.00 13.15 O ATOM 704 CB LEU A 91 10.515 -3.677 -6.584 1.00 12.31 C ATOM 705 CG LEU A 91 9.837 -2.307 -6.485 1.00 4.40 C ATOM 706 CD1 LEU A 91 8.341 -2.422 -6.714 1.00 72.23 C ATOM 707 CD2 LEU A 91 10.130 -1.665 -5.136 1.00 3.33 C ATOM 0 H LEU A 91 11.216 -6.278 -6.275 1.00 61.21 H new ATOM 0 HA LEU A 91 10.448 -4.044 -4.478 1.00 53.34 H new ATOM 0 HB2 LEU A 91 11.585 -3.520 -6.719 1.00 12.31 H new ATOM 0 HB3 LEU A 91 10.150 -4.175 -7.482 1.00 12.31 H new ATOM 0 HG LEU A 91 10.246 -1.667 -7.267 1.00 4.40 H new ATOM 0 HD11 LEU A 91 7.884 -1.435 -6.638 1.00 72.23 H new ATOM 0 HD12 LEU A 91 8.155 -2.832 -7.707 1.00 72.23 H new ATOM 0 HD13 LEU A 91 7.907 -3.081 -5.962 1.00 72.23 H new ATOM 0 HD21 LEU A 91 9.641 -0.692 -5.082 1.00 3.33 H new ATOM 0 HD22 LEU A 91 9.753 -2.305 -4.339 1.00 3.33 H new ATOM 0 HD23 LEU A 91 11.206 -1.537 -5.020 1.00 3.33 H new ATOM 719 N PHE A 92 8.200 -4.952 -4.289 1.00 34.25 N ATOM 720 CA PHE A 92 6.830 -5.409 -4.131 1.00 14.00 C ATOM 721 C PHE A 92 5.884 -4.247 -4.368 1.00 14.44 C ATOM 722 O PHE A 92 6.114 -3.146 -3.873 1.00 15.03 O ATOM 723 CB PHE A 92 6.601 -5.994 -2.731 1.00 60.53 C ATOM 724 CG PHE A 92 7.327 -7.286 -2.479 1.00 74.42 C ATOM 725 CD1 PHE A 92 8.709 -7.321 -2.394 1.00 3.24 C ATOM 726 CD2 PHE A 92 6.621 -8.467 -2.312 1.00 15.13 C ATOM 727 CE1 PHE A 92 9.374 -8.505 -2.149 1.00 22.22 C ATOM 728 CE2 PHE A 92 7.281 -9.656 -2.069 1.00 42.34 C ATOM 729 CZ PHE A 92 8.660 -9.674 -1.986 1.00 11.21 C ATOM 0 H PHE A 92 8.558 -4.424 -3.493 1.00 34.25 H new ATOM 0 HA PHE A 92 6.638 -6.196 -4.860 1.00 14.00 H new ATOM 0 HB2 PHE A 92 6.916 -5.262 -1.987 1.00 60.53 H new ATOM 0 HB3 PHE A 92 5.533 -6.156 -2.587 1.00 60.53 H new ATOM 0 HD1 PHE A 92 9.274 -6.409 -2.521 1.00 3.24 H new ATOM 0 HD2 PHE A 92 5.543 -8.458 -2.373 1.00 15.13 H new ATOM 0 HE1 PHE A 92 10.452 -8.516 -2.085 1.00 22.22 H new ATOM 0 HE2 PHE A 92 6.720 -10.570 -1.944 1.00 42.34 H new ATOM 0 HZ PHE A 92 9.178 -10.602 -1.794 1.00 11.21 H new ATOM 739 N THR A 93 4.839 -4.491 -5.130 1.00 5.14 N ATOM 740 CA THR A 93 3.882 -3.457 -5.466 1.00 31.43 C ATOM 741 C THR A 93 2.494 -3.816 -4.938 1.00 61.50 C ATOM 742 O THR A 93 1.835 -4.726 -5.450 1.00 40.44 O ATOM 743 CB THR A 93 3.824 -3.246 -6.989 1.00 62.51 C ATOM 744 OG1 THR A 93 5.149 -3.035 -7.496 1.00 72.10 O ATOM 745 CG2 THR A 93 2.957 -2.054 -7.345 1.00 62.21 C ATOM 0 H THR A 93 4.629 -5.405 -5.532 1.00 5.14 H new ATOM 0 HA THR A 93 4.208 -2.530 -4.995 1.00 31.43 H new ATOM 0 HB THR A 93 3.387 -4.138 -7.439 1.00 62.51 H new ATOM 0 HG1 THR A 93 5.111 -2.902 -8.466 1.00 72.10 H new ATOM 0 HG21 THR A 93 2.935 -1.930 -8.428 1.00 62.21 H new ATOM 0 HG22 THR A 93 1.944 -2.219 -6.978 1.00 62.21 H new ATOM 0 HG23 THR A 93 3.368 -1.155 -6.885 1.00 62.21 H new ATOM 753 N ILE A 94 2.077 -3.112 -3.900 1.00 43.15 N ATOM 754 CA ILE A 94 0.780 -3.332 -3.281 1.00 63.01 C ATOM 755 C ILE A 94 -0.211 -2.280 -3.755 1.00 14.32 C ATOM 756 O ILE A 94 0.066 -1.080 -3.695 1.00 23.22 O ATOM 757 CB ILE A 94 0.884 -3.274 -1.739 1.00 12.12 C ATOM 758 CG1 ILE A 94 1.715 -4.450 -1.210 1.00 31.42 C ATOM 759 CG2 ILE A 94 -0.499 -3.256 -1.099 1.00 1.33 C ATOM 760 CD1 ILE A 94 0.953 -5.751 -1.080 1.00 51.22 C ATOM 0 H ILE A 94 2.627 -2.373 -3.462 1.00 43.15 H new ATOM 0 HA ILE A 94 0.433 -4.323 -3.573 1.00 63.01 H new ATOM 0 HB ILE A 94 1.390 -2.348 -1.467 1.00 12.12 H new ATOM 0 HG12 ILE A 94 2.564 -4.606 -1.875 1.00 31.42 H new ATOM 0 HG13 ILE A 94 2.120 -4.182 -0.234 1.00 31.42 H new ATOM 0 HG21 ILE A 94 -0.398 -3.215 -0.015 1.00 1.33 H new ATOM 0 HG22 ILE A 94 -1.049 -2.381 -1.445 1.00 1.33 H new ATOM 0 HG23 ILE A 94 -1.041 -4.159 -1.379 1.00 1.33 H new ATOM 0 HD11 ILE A 94 1.618 -6.526 -0.700 1.00 51.22 H new ATOM 0 HD12 ILE A 94 0.120 -5.617 -0.390 1.00 51.22 H new ATOM 0 HD13 ILE A 94 0.571 -6.048 -2.057 1.00 51.22 H new ATOM 772 N SER A 95 -1.348 -2.729 -4.249 1.00 41.40 N ATOM 773 CA SER A 95 -2.407 -1.825 -4.647 1.00 15.43 C ATOM 774 C SER A 95 -3.557 -1.883 -3.646 1.00 44.34 C ATOM 775 O SER A 95 -4.151 -2.942 -3.421 1.00 40.11 O ATOM 776 CB SER A 95 -2.895 -2.169 -6.055 1.00 3.43 C ATOM 777 OG SER A 95 -3.162 -3.554 -6.183 1.00 12.02 O ATOM 0 H SER A 95 -1.562 -3.717 -4.384 1.00 41.40 H new ATOM 0 HA SER A 95 -2.015 -0.808 -4.659 1.00 15.43 H new ATOM 0 HB2 SER A 95 -3.798 -1.600 -6.278 1.00 3.43 H new ATOM 0 HB3 SER A 95 -2.142 -1.872 -6.786 1.00 3.43 H new ATOM 0 HG SER A 95 -3.474 -3.744 -7.092 1.00 12.02 H new ATOM 783 N VAL A 96 -3.851 -0.752 -3.025 1.00 51.32 N ATOM 784 CA VAL A 96 -4.970 -0.668 -2.104 1.00 52.31 C ATOM 785 C VAL A 96 -6.033 0.255 -2.674 1.00 4.42 C ATOM 786 O VAL A 96 -5.730 1.343 -3.157 1.00 22.42 O ATOM 787 CB VAL A 96 -4.540 -0.183 -0.697 1.00 4.34 C ATOM 788 CG1 VAL A 96 -3.892 1.194 -0.757 1.00 71.42 C ATOM 789 CG2 VAL A 96 -5.731 -0.179 0.252 1.00 43.24 C ATOM 0 H VAL A 96 -3.331 0.118 -3.142 1.00 51.32 H new ATOM 0 HA VAL A 96 -5.376 -1.673 -1.986 1.00 52.31 H new ATOM 0 HB VAL A 96 -3.795 -0.881 -0.316 1.00 4.34 H new ATOM 0 HG11 VAL A 96 -3.602 1.504 0.247 1.00 71.42 H new ATOM 0 HG12 VAL A 96 -3.008 1.153 -1.393 1.00 71.42 H new ATOM 0 HG13 VAL A 96 -4.601 1.912 -1.168 1.00 71.42 H new ATOM 0 HG21 VAL A 96 -5.411 0.164 1.236 1.00 43.24 H new ATOM 0 HG22 VAL A 96 -6.501 0.490 -0.133 1.00 43.24 H new ATOM 0 HG23 VAL A 96 -6.135 -1.188 0.333 1.00 43.24 H new ATOM 799 N GLU A 97 -7.273 -0.185 -2.645 1.00 21.31 N ATOM 800 CA GLU A 97 -8.347 0.590 -3.225 1.00 40.12 C ATOM 801 C GLU A 97 -9.253 1.120 -2.126 1.00 60.25 C ATOM 802 O GLU A 97 -9.931 0.354 -1.447 1.00 3.22 O ATOM 803 CB GLU A 97 -9.132 -0.268 -4.204 1.00 15.32 C ATOM 804 CG GLU A 97 -9.873 0.539 -5.251 1.00 34.14 C ATOM 805 CD GLU A 97 -10.403 -0.326 -6.373 1.00 72.44 C ATOM 806 OE1 GLU A 97 -9.583 -0.865 -7.153 1.00 72.22 O ATOM 807 OE2 GLU A 97 -11.640 -0.475 -6.486 1.00 64.14 O ATOM 0 H GLU A 97 -7.561 -1.070 -2.228 1.00 21.31 H new ATOM 0 HA GLU A 97 -7.930 1.439 -3.767 1.00 40.12 H new ATOM 0 HB2 GLU A 97 -8.449 -0.955 -4.702 1.00 15.32 H new ATOM 0 HB3 GLU A 97 -9.848 -0.876 -3.650 1.00 15.32 H new ATOM 0 HG2 GLU A 97 -10.702 1.067 -4.780 1.00 34.14 H new ATOM 0 HG3 GLU A 97 -9.205 1.296 -5.663 1.00 34.14 H new ATOM 814 N VAL A 98 -9.244 2.431 -1.956 1.00 15.40 N ATOM 815 CA VAL A 98 -9.990 3.077 -0.882 1.00 51.24 C ATOM 816 C VAL A 98 -10.899 4.144 -1.437 1.00 72.31 C ATOM 817 O VAL A 98 -10.453 5.056 -2.137 1.00 62.22 O ATOM 818 CB VAL A 98 -9.058 3.698 0.184 1.00 72.20 C ATOM 819 CG1 VAL A 98 -9.868 4.256 1.344 1.00 45.40 C ATOM 820 CG2 VAL A 98 -8.047 2.679 0.683 1.00 63.11 C ATOM 0 H VAL A 98 -8.725 3.076 -2.552 1.00 15.40 H new ATOM 0 HA VAL A 98 -10.585 2.302 -0.399 1.00 51.24 H new ATOM 0 HB VAL A 98 -8.512 4.518 -0.283 1.00 72.20 H new ATOM 0 HG11 VAL A 98 -9.194 4.689 2.084 1.00 45.40 H new ATOM 0 HG12 VAL A 98 -10.546 5.026 0.977 1.00 45.40 H new ATOM 0 HG13 VAL A 98 -10.445 3.454 1.804 1.00 45.40 H new ATOM 0 HG21 VAL A 98 -7.404 3.141 1.432 1.00 63.11 H new ATOM 0 HG22 VAL A 98 -8.572 1.833 1.128 1.00 63.11 H new ATOM 0 HG23 VAL A 98 -7.439 2.330 -0.152 1.00 63.11 H new ATOM 830 N ASP A 99 -12.182 4.000 -1.136 1.00 41.34 N ATOM 831 CA ASP A 99 -13.201 4.934 -1.587 1.00 50.32 C ATOM 832 C ASP A 99 -13.217 5.062 -3.109 1.00 24.10 C ATOM 833 O ASP A 99 -13.615 6.093 -3.656 1.00 22.51 O ATOM 834 CB ASP A 99 -12.981 6.297 -0.938 1.00 12.23 C ATOM 835 CG ASP A 99 -13.586 6.386 0.448 1.00 74.23 C ATOM 836 OD1 ASP A 99 -14.831 6.345 0.564 1.00 34.31 O ATOM 837 OD2 ASP A 99 -12.829 6.514 1.427 1.00 15.41 O ATOM 0 H ASP A 99 -12.545 3.232 -0.572 1.00 41.34 H new ATOM 0 HA ASP A 99 -14.173 4.544 -1.283 1.00 50.32 H new ATOM 0 HB2 ASP A 99 -11.911 6.498 -0.877 1.00 12.23 H new ATOM 0 HB3 ASP A 99 -13.415 7.071 -1.571 1.00 12.23 H new ATOM 842 N GLY A 100 -12.800 4.003 -3.792 1.00 63.31 N ATOM 843 CA GLY A 100 -12.779 4.016 -5.242 1.00 72.52 C ATOM 844 C GLY A 100 -11.436 4.441 -5.800 1.00 21.21 C ATOM 845 O GLY A 100 -11.161 4.249 -6.985 1.00 33.02 O ATOM 0 H GLY A 100 -12.476 3.134 -3.367 1.00 63.31 H new ATOM 0 HA2 GLY A 100 -13.025 3.022 -5.614 1.00 72.52 H new ATOM 0 HA3 GLY A 100 -13.551 4.693 -5.607 1.00 72.52 H new ATOM 849 N GLN A 101 -10.596 5.016 -4.952 1.00 72.50 N ATOM 850 CA GLN A 101 -9.275 5.450 -5.367 1.00 65.54 C ATOM 851 C GLN A 101 -8.255 4.367 -5.079 1.00 60.14 C ATOM 852 O GLN A 101 -8.095 3.941 -3.938 1.00 55.40 O ATOM 853 CB GLN A 101 -8.882 6.738 -4.645 1.00 52.44 C ATOM 854 CG GLN A 101 -9.043 7.989 -5.491 1.00 61.11 C ATOM 855 CD GLN A 101 -8.089 8.031 -6.671 1.00 33.21 C ATOM 856 OE1 GLN A 101 -8.405 8.597 -7.716 1.00 53.01 O ATOM 857 NE2 GLN A 101 -6.910 7.444 -6.509 1.00 72.23 N ATOM 0 H GLN A 101 -10.809 5.192 -3.970 1.00 72.50 H new ATOM 0 HA GLN A 101 -9.298 5.643 -6.440 1.00 65.54 H new ATOM 0 HB2 GLN A 101 -9.489 6.839 -3.745 1.00 52.44 H new ATOM 0 HB3 GLN A 101 -7.844 6.660 -4.322 1.00 52.44 H new ATOM 0 HG2 GLN A 101 -10.068 8.045 -5.857 1.00 61.11 H new ATOM 0 HG3 GLN A 101 -8.879 8.867 -4.867 1.00 61.11 H new ATOM 0 HE21 GLN A 101 -6.686 6.985 -5.626 1.00 72.23 H new ATOM 0 HE22 GLN A 101 -6.228 7.452 -7.267 1.00 72.23 H new ATOM 866 N LYS A 102 -7.579 3.909 -6.113 1.00 15.31 N ATOM 867 CA LYS A 102 -6.558 2.892 -5.952 1.00 74.11 C ATOM 868 C LYS A 102 -5.202 3.545 -5.731 1.00 33.13 C ATOM 869 O LYS A 102 -4.679 4.228 -6.612 1.00 2.11 O ATOM 870 CB LYS A 102 -6.532 1.972 -7.176 1.00 51.32 C ATOM 871 CG LYS A 102 -5.683 0.717 -7.006 1.00 45.23 C ATOM 872 CD LYS A 102 -4.181 0.988 -7.112 1.00 22.25 C ATOM 873 CE LYS A 102 -3.743 1.365 -8.527 1.00 43.41 C ATOM 874 NZ LYS A 102 -4.191 2.727 -8.937 1.00 1.40 N ATOM 0 H LYS A 102 -7.717 4.224 -7.073 1.00 15.31 H new ATOM 0 HA LYS A 102 -6.792 2.286 -5.077 1.00 74.11 H new ATOM 0 HB2 LYS A 102 -7.554 1.675 -7.413 1.00 51.32 H new ATOM 0 HB3 LYS A 102 -6.158 2.536 -8.030 1.00 51.32 H new ATOM 0 HG2 LYS A 102 -5.898 0.269 -6.036 1.00 45.23 H new ATOM 0 HG3 LYS A 102 -5.969 -0.013 -7.764 1.00 45.23 H new ATOM 0 HD2 LYS A 102 -3.913 1.793 -6.428 1.00 22.25 H new ATOM 0 HD3 LYS A 102 -3.633 0.102 -6.792 1.00 22.25 H new ATOM 0 HE2 LYS A 102 -2.656 1.313 -8.590 1.00 43.41 H new ATOM 0 HE3 LYS A 102 -4.139 0.632 -9.230 1.00 43.41 H new ATOM 0 HZ1 LYS A 102 -3.444 3.183 -9.499 1.00 1.40 H new ATOM 0 HZ2 LYS A 102 -5.057 2.650 -9.508 1.00 1.40 H new ATOM 0 HZ3 LYS A 102 -4.385 3.298 -8.090 1.00 1.40 H new ATOM 888 N TYR A 103 -4.646 3.320 -4.557 1.00 24.14 N ATOM 889 CA TYR A 103 -3.342 3.847 -4.199 1.00 41.32 C ATOM 890 C TYR A 103 -2.296 2.752 -4.337 1.00 54.35 C ATOM 891 O TYR A 103 -2.540 1.603 -3.965 1.00 61.11 O ATOM 892 CB TYR A 103 -3.369 4.376 -2.764 1.00 41.32 C ATOM 893 CG TYR A 103 -4.479 5.370 -2.523 1.00 2.34 C ATOM 894 CD1 TYR A 103 -4.294 6.717 -2.792 1.00 4.22 C ATOM 895 CD2 TYR A 103 -5.713 4.961 -2.033 1.00 22.33 C ATOM 896 CE1 TYR A 103 -5.308 7.629 -2.585 1.00 61.04 C ATOM 897 CE2 TYR A 103 -6.732 5.869 -1.825 1.00 71.23 C ATOM 898 CZ TYR A 103 -6.523 7.201 -2.099 1.00 31.32 C ATOM 899 OH TYR A 103 -7.537 8.111 -1.888 1.00 32.21 O ATOM 0 H TYR A 103 -5.086 2.766 -3.822 1.00 24.14 H new ATOM 0 HA TYR A 103 -3.088 4.669 -4.868 1.00 41.32 H new ATOM 0 HB2 TYR A 103 -3.483 3.538 -2.076 1.00 41.32 H new ATOM 0 HB3 TYR A 103 -2.412 4.846 -2.538 1.00 41.32 H new ATOM 0 HD1 TYR A 103 -3.341 7.058 -3.170 1.00 4.22 H new ATOM 0 HD2 TYR A 103 -5.878 3.917 -1.811 1.00 22.33 H new ATOM 0 HE1 TYR A 103 -5.149 8.675 -2.803 1.00 61.04 H new ATOM 0 HE2 TYR A 103 -7.688 5.536 -1.449 1.00 71.23 H new ATOM 0 HH TYR A 103 -7.195 9.019 -2.024 1.00 32.21 H new ATOM 909 N LEU A 104 -1.144 3.101 -4.879 1.00 12.34 N ATOM 910 CA LEU A 104 -0.101 2.121 -5.117 1.00 31.20 C ATOM 911 C LEU A 104 1.070 2.347 -4.169 1.00 5.33 C ATOM 912 O LEU A 104 1.424 3.488 -3.870 1.00 51.32 O ATOM 913 CB LEU A 104 0.370 2.204 -6.569 1.00 44.20 C ATOM 914 CG LEU A 104 0.997 0.923 -7.111 1.00 34.40 C ATOM 915 CD1 LEU A 104 -0.029 -0.199 -7.129 1.00 24.52 C ATOM 916 CD2 LEU A 104 1.560 1.150 -8.503 1.00 74.34 C ATOM 0 H LEU A 104 -0.907 4.052 -5.162 1.00 12.34 H new ATOM 0 HA LEU A 104 -0.506 1.126 -4.932 1.00 31.20 H new ATOM 0 HB2 LEU A 104 -0.480 2.470 -7.197 1.00 44.20 H new ATOM 0 HB3 LEU A 104 1.096 3.012 -6.655 1.00 44.20 H new ATOM 0 HG LEU A 104 1.817 0.635 -6.453 1.00 34.40 H new ATOM 0 HD11 LEU A 104 0.432 -1.107 -7.518 1.00 24.52 H new ATOM 0 HD12 LEU A 104 -0.388 -0.380 -6.116 1.00 24.52 H new ATOM 0 HD13 LEU A 104 -0.867 0.084 -7.766 1.00 24.52 H new ATOM 0 HD21 LEU A 104 2.003 0.225 -8.872 1.00 74.34 H new ATOM 0 HD22 LEU A 104 0.759 1.461 -9.173 1.00 74.34 H new ATOM 0 HD23 LEU A 104 2.323 1.927 -8.464 1.00 74.34 H new ATOM 928 N GLY A 105 1.651 1.258 -3.688 1.00 53.33 N ATOM 929 CA GLY A 105 2.803 1.352 -2.812 1.00 71.31 C ATOM 930 C GLY A 105 3.862 0.342 -3.184 1.00 4.44 C ATOM 931 O GLY A 105 3.545 -0.810 -3.487 1.00 73.42 O ATOM 0 H GLY A 105 1.344 0.306 -3.889 1.00 53.33 H new ATOM 0 HA2 GLY A 105 3.222 2.357 -2.866 1.00 71.31 H new ATOM 0 HA3 GLY A 105 2.491 1.191 -1.780 1.00 71.31 H new ATOM 935 N GLN A 106 5.118 0.762 -3.175 1.00 11.51 N ATOM 936 CA GLN A 106 6.205 -0.107 -3.595 1.00 40.42 C ATOM 937 C GLN A 106 7.263 -0.213 -2.502 1.00 52.51 C ATOM 938 O GLN A 106 7.776 0.799 -2.026 1.00 24.13 O ATOM 939 CB GLN A 106 6.826 0.414 -4.891 1.00 34.32 C ATOM 940 CG GLN A 106 5.793 0.738 -5.963 1.00 74.25 C ATOM 941 CD GLN A 106 6.369 0.728 -7.362 1.00 72.14 C ATOM 942 OE1 GLN A 106 6.880 1.735 -7.851 1.00 1.44 O ATOM 943 NE2 GLN A 106 6.268 -0.410 -8.028 1.00 31.55 N ATOM 0 H GLN A 106 5.408 1.695 -2.883 1.00 11.51 H new ATOM 0 HA GLN A 106 5.801 -1.103 -3.776 1.00 40.42 H new ATOM 0 HB2 GLN A 106 7.408 1.310 -4.673 1.00 34.32 H new ATOM 0 HB3 GLN A 106 7.521 -0.331 -5.278 1.00 34.32 H new ATOM 0 HG2 GLN A 106 4.979 0.015 -5.906 1.00 74.25 H new ATOM 0 HG3 GLN A 106 5.363 1.719 -5.760 1.00 74.25 H new ATOM 0 HE21 GLN A 106 5.837 -1.223 -7.587 1.00 31.55 H new ATOM 0 HE22 GLN A 106 6.621 -0.475 -8.983 1.00 31.55 H new ATOM 952 N GLY A 107 7.591 -1.438 -2.108 1.00 11.32 N ATOM 953 CA GLY A 107 8.550 -1.641 -1.036 1.00 5.13 C ATOM 954 C GLY A 107 9.379 -2.896 -1.230 1.00 1.24 C ATOM 955 O GLY A 107 9.254 -3.571 -2.245 1.00 22.51 O ATOM 0 H GLY A 107 7.211 -2.294 -2.511 1.00 11.32 H new ATOM 0 HA2 GLY A 107 9.212 -0.777 -0.977 1.00 5.13 H new ATOM 0 HA3 GLY A 107 8.020 -1.702 -0.085 1.00 5.13 H new ATOM 959 N ARG A 108 10.219 -3.212 -0.247 1.00 4.24 N ATOM 960 CA ARG A 108 11.097 -4.382 -0.323 1.00 33.11 C ATOM 961 C ARG A 108 10.385 -5.657 0.119 1.00 41.24 C ATOM 962 O ARG A 108 10.953 -6.746 0.072 1.00 5.43 O ATOM 963 CB ARG A 108 12.349 -4.169 0.531 1.00 15.01 C ATOM 964 CG ARG A 108 13.281 -3.106 -0.019 1.00 43.22 C ATOM 965 CD ARG A 108 13.697 -3.433 -1.442 1.00 74.34 C ATOM 966 NE ARG A 108 14.619 -2.447 -1.992 1.00 31.14 N ATOM 967 CZ ARG A 108 14.648 -2.101 -3.274 1.00 34.13 C ATOM 968 NH1 ARG A 108 13.814 -2.670 -4.139 1.00 0.11 N ATOM 969 NH2 ARG A 108 15.525 -1.200 -3.694 1.00 22.04 N ATOM 0 H ARG A 108 10.312 -2.674 0.615 1.00 4.24 H new ATOM 0 HA ARG A 108 11.385 -4.501 -1.368 1.00 33.11 H new ATOM 0 HB2 ARG A 108 12.048 -3.890 1.541 1.00 15.01 H new ATOM 0 HB3 ARG A 108 12.891 -5.111 0.609 1.00 15.01 H new ATOM 0 HG2 ARG A 108 12.786 -2.135 0.005 1.00 43.22 H new ATOM 0 HG3 ARG A 108 14.165 -3.029 0.614 1.00 43.22 H new ATOM 0 HD2 ARG A 108 14.166 -4.417 -1.464 1.00 74.34 H new ATOM 0 HD3 ARG A 108 12.810 -3.489 -2.073 1.00 74.34 H new ATOM 0 HE ARG A 108 15.279 -1.998 -1.357 1.00 31.14 H new ATOM 0 HH11 ARG A 108 13.149 -3.374 -3.819 1.00 0.11 H new ATOM 0 HH12 ARG A 108 13.839 -2.402 -5.123 1.00 0.11 H new ATOM 0 HH21 ARG A 108 16.175 -0.774 -3.033 1.00 22.04 H new ATOM 0 HH22 ARG A 108 15.550 -0.932 -4.678 1.00 22.04 H new ATOM 983 N SER A 109 9.145 -5.511 0.551 1.00 44.04 N ATOM 984 CA SER A 109 8.329 -6.635 0.987 1.00 72.25 C ATOM 985 C SER A 109 6.865 -6.227 0.931 1.00 63.33 C ATOM 986 O SER A 109 6.566 -5.036 0.789 1.00 72.12 O ATOM 987 CB SER A 109 8.702 -7.066 2.411 1.00 40.22 C ATOM 988 OG SER A 109 10.036 -7.536 2.482 1.00 13.01 O ATOM 0 H SER A 109 8.673 -4.609 0.610 1.00 44.04 H new ATOM 0 HA SER A 109 8.507 -7.483 0.326 1.00 72.25 H new ATOM 0 HB2 SER A 109 8.576 -6.224 3.091 1.00 40.22 H new ATOM 0 HB3 SER A 109 8.022 -7.850 2.744 1.00 40.22 H new ATOM 0 HG SER A 109 10.410 -7.596 1.578 1.00 13.01 H new ATOM 994 N LYS A 110 5.965 -7.203 1.036 1.00 62.23 N ATOM 995 CA LYS A 110 4.531 -6.922 1.058 1.00 25.31 C ATOM 996 C LYS A 110 4.207 -5.927 2.164 1.00 45.11 C ATOM 997 O LYS A 110 3.395 -5.024 1.987 1.00 51.20 O ATOM 998 CB LYS A 110 3.720 -8.201 1.285 1.00 71.42 C ATOM 999 CG LYS A 110 3.749 -9.174 0.120 1.00 72.20 C ATOM 1000 CD LYS A 110 2.788 -10.330 0.350 1.00 1.02 C ATOM 1001 CE LYS A 110 2.712 -11.242 -0.862 1.00 13.52 C ATOM 1002 NZ LYS A 110 1.719 -12.334 -0.682 1.00 23.52 N ATOM 0 H LYS A 110 6.202 -8.192 1.107 1.00 62.23 H new ATOM 0 HA LYS A 110 4.262 -6.501 0.089 1.00 25.31 H new ATOM 0 HB2 LYS A 110 4.100 -8.705 2.174 1.00 71.42 H new ATOM 0 HB3 LYS A 110 2.685 -7.929 1.491 1.00 71.42 H new ATOM 0 HG2 LYS A 110 3.483 -8.653 -0.800 1.00 72.20 H new ATOM 0 HG3 LYS A 110 4.760 -9.558 -0.012 1.00 72.20 H new ATOM 0 HD2 LYS A 110 3.110 -10.904 1.219 1.00 1.02 H new ATOM 0 HD3 LYS A 110 1.796 -9.940 0.576 1.00 1.02 H new ATOM 0 HE2 LYS A 110 2.448 -10.654 -1.741 1.00 13.52 H new ATOM 0 HE3 LYS A 110 3.695 -11.674 -1.051 1.00 13.52 H new ATOM 0 HZ1 LYS A 110 1.701 -12.931 -1.533 1.00 23.52 H new ATOM 0 HZ2 LYS A 110 1.984 -12.912 0.141 1.00 23.52 H new ATOM 0 HZ3 LYS A 110 0.776 -11.924 -0.527 1.00 23.52 H new ATOM 1016 N LYS A 111 4.874 -6.102 3.298 1.00 51.04 N ATOM 1017 CA LYS A 111 4.682 -5.250 4.458 1.00 52.14 C ATOM 1018 C LYS A 111 5.019 -3.796 4.139 1.00 0.05 C ATOM 1019 O LYS A 111 4.203 -2.898 4.354 1.00 4.03 O ATOM 1020 CB LYS A 111 5.562 -5.754 5.600 1.00 32.02 C ATOM 1021 CG LYS A 111 5.675 -4.782 6.755 1.00 4.00 C ATOM 1022 CD LYS A 111 6.596 -5.315 7.832 1.00 45.11 C ATOM 1023 CE LYS A 111 6.853 -4.262 8.885 1.00 34.30 C ATOM 1024 NZ LYS A 111 7.751 -4.759 9.959 1.00 43.34 N ATOM 0 H LYS A 111 5.564 -6.841 3.436 1.00 51.04 H new ATOM 0 HA LYS A 111 3.633 -5.291 4.752 1.00 52.14 H new ATOM 0 HB2 LYS A 111 5.159 -6.697 5.969 1.00 32.02 H new ATOM 0 HB3 LYS A 111 6.560 -5.963 5.213 1.00 32.02 H new ATOM 0 HG2 LYS A 111 6.051 -3.825 6.393 1.00 4.00 H new ATOM 0 HG3 LYS A 111 4.687 -4.598 7.177 1.00 4.00 H new ATOM 0 HD2 LYS A 111 6.152 -6.197 8.293 1.00 45.11 H new ATOM 0 HD3 LYS A 111 7.540 -5.629 7.387 1.00 45.11 H new ATOM 0 HE2 LYS A 111 7.297 -3.383 8.418 1.00 34.30 H new ATOM 0 HE3 LYS A 111 5.905 -3.946 9.321 1.00 34.30 H new ATOM 0 HZ1 LYS A 111 7.902 -4.007 10.661 1.00 43.34 H new ATOM 0 HZ2 LYS A 111 7.316 -5.582 10.422 1.00 43.34 H new ATOM 0 HZ3 LYS A 111 8.665 -5.036 9.547 1.00 43.34 H new ATOM 1038 N VAL A 112 6.220 -3.579 3.614 1.00 0.42 N ATOM 1039 CA VAL A 112 6.683 -2.236 3.284 1.00 14.24 C ATOM 1040 C VAL A 112 5.759 -1.596 2.256 1.00 35.14 C ATOM 1041 O VAL A 112 5.284 -0.482 2.448 1.00 41.43 O ATOM 1042 CB VAL A 112 8.125 -2.254 2.730 1.00 22.32 C ATOM 1043 CG1 VAL A 112 8.642 -0.837 2.525 1.00 71.52 C ATOM 1044 CG2 VAL A 112 9.050 -3.036 3.653 1.00 23.04 C ATOM 0 H VAL A 112 6.892 -4.318 3.407 1.00 0.42 H new ATOM 0 HA VAL A 112 6.672 -1.652 4.204 1.00 14.24 H new ATOM 0 HB VAL A 112 8.109 -2.754 1.762 1.00 22.32 H new ATOM 0 HG11 VAL A 112 9.659 -0.874 2.134 1.00 71.52 H new ATOM 0 HG12 VAL A 112 8.000 -0.314 1.816 1.00 71.52 H new ATOM 0 HG13 VAL A 112 8.638 -0.307 3.477 1.00 71.52 H new ATOM 0 HG21 VAL A 112 10.060 -3.035 3.242 1.00 23.04 H new ATOM 0 HG22 VAL A 112 9.059 -2.571 4.639 1.00 23.04 H new ATOM 0 HG23 VAL A 112 8.695 -4.063 3.740 1.00 23.04 H new ATOM 1054 N ALA A 113 5.478 -2.332 1.187 1.00 61.22 N ATOM 1055 CA ALA A 113 4.644 -1.829 0.102 1.00 63.31 C ATOM 1056 C ALA A 113 3.229 -1.520 0.582 1.00 54.34 C ATOM 1057 O ALA A 113 2.605 -0.567 0.122 1.00 42.54 O ATOM 1058 CB ALA A 113 4.616 -2.829 -1.040 1.00 54.31 C ATOM 0 H ALA A 113 5.817 -3.284 1.048 1.00 61.22 H new ATOM 0 HA ALA A 113 5.079 -0.896 -0.255 1.00 63.31 H new ATOM 0 HB1 ALA A 113 3.990 -2.444 -1.845 1.00 54.31 H new ATOM 0 HB2 ALA A 113 5.629 -2.986 -1.411 1.00 54.31 H new ATOM 0 HB3 ALA A 113 4.209 -3.776 -0.685 1.00 54.31 H new ATOM 1064 N ARG A 114 2.736 -2.332 1.510 1.00 72.31 N ATOM 1065 CA ARG A 114 1.426 -2.117 2.110 1.00 54.14 C ATOM 1066 C ARG A 114 1.396 -0.766 2.824 1.00 3.23 C ATOM 1067 O ARG A 114 0.468 0.024 2.650 1.00 51.51 O ATOM 1068 CB ARG A 114 1.125 -3.241 3.105 1.00 10.41 C ATOM 1069 CG ARG A 114 -0.294 -3.233 3.643 1.00 61.32 C ATOM 1070 CD ARG A 114 -0.385 -3.941 4.985 1.00 53.03 C ATOM 1071 NE ARG A 114 0.215 -5.274 4.959 1.00 11.12 N ATOM 1072 CZ ARG A 114 1.166 -5.672 5.805 1.00 11.41 C ATOM 1073 NH1 ARG A 114 1.652 -4.832 6.710 1.00 70.24 N ATOM 1074 NH2 ARG A 114 1.640 -6.909 5.744 1.00 73.05 N ATOM 0 H ARG A 114 3.229 -3.151 1.865 1.00 72.31 H new ATOM 0 HA ARG A 114 0.668 -2.119 1.327 1.00 54.14 H new ATOM 0 HB2 ARG A 114 1.312 -4.199 2.621 1.00 10.41 H new ATOM 0 HB3 ARG A 114 1.819 -3.166 3.942 1.00 10.41 H new ATOM 0 HG2 ARG A 114 -0.638 -2.204 3.749 1.00 61.32 H new ATOM 0 HG3 ARG A 114 -0.958 -3.719 2.928 1.00 61.32 H new ATOM 0 HD2 ARG A 114 0.112 -3.338 5.744 1.00 53.03 H new ATOM 0 HD3 ARG A 114 -1.432 -4.023 5.278 1.00 53.03 H new ATOM 0 HE ARG A 114 -0.112 -5.936 4.255 1.00 11.12 H new ATOM 0 HH11 ARG A 114 1.298 -3.877 6.761 1.00 70.24 H new ATOM 0 HH12 ARG A 114 2.379 -5.142 7.355 1.00 70.24 H new ATOM 0 HH21 ARG A 114 1.277 -7.560 5.048 1.00 73.05 H new ATOM 0 HH22 ARG A 114 2.367 -7.209 6.393 1.00 73.05 H new ATOM 1088 N ILE A 115 2.425 -0.516 3.626 1.00 42.41 N ATOM 1089 CA ILE A 115 2.583 0.752 4.326 1.00 60.30 C ATOM 1090 C ILE A 115 2.716 1.918 3.338 1.00 60.31 C ATOM 1091 O ILE A 115 2.038 2.936 3.475 1.00 3.14 O ATOM 1092 CB ILE A 115 3.804 0.693 5.269 1.00 0.53 C ATOM 1093 CG1 ILE A 115 3.473 -0.198 6.470 1.00 24.32 C ATOM 1094 CG2 ILE A 115 4.224 2.087 5.720 1.00 60.22 C ATOM 1095 CD1 ILE A 115 4.651 -0.467 7.380 1.00 13.20 C ATOM 0 H ILE A 115 3.172 -1.186 3.809 1.00 42.41 H new ATOM 0 HA ILE A 115 1.688 0.925 4.924 1.00 60.30 H new ATOM 0 HB ILE A 115 4.648 0.265 4.728 1.00 0.53 H new ATOM 0 HG12 ILE A 115 2.679 0.272 7.050 1.00 24.32 H new ATOM 0 HG13 ILE A 115 3.083 -1.149 6.107 1.00 24.32 H new ATOM 0 HG21 ILE A 115 5.086 2.011 6.383 1.00 60.22 H new ATOM 0 HG22 ILE A 115 4.488 2.687 4.849 1.00 60.22 H new ATOM 0 HG23 ILE A 115 3.399 2.562 6.251 1.00 60.22 H new ATOM 0 HD11 ILE A 115 4.335 -1.105 8.206 1.00 13.20 H new ATOM 0 HD12 ILE A 115 5.439 -0.967 6.817 1.00 13.20 H new ATOM 0 HD13 ILE A 115 5.029 0.476 7.774 1.00 13.20 H new ATOM 1107 N GLU A 116 3.572 1.754 2.338 1.00 50.43 N ATOM 1108 CA GLU A 116 3.772 2.775 1.314 1.00 34.12 C ATOM 1109 C GLU A 116 2.455 3.115 0.612 1.00 21.13 C ATOM 1110 O GLU A 116 2.140 4.286 0.384 1.00 52.23 O ATOM 1111 CB GLU A 116 4.793 2.277 0.297 1.00 70.53 C ATOM 1112 CG GLU A 116 6.133 1.930 0.917 1.00 24.22 C ATOM 1113 CD GLU A 116 6.962 3.151 1.245 1.00 44.13 C ATOM 1114 OE1 GLU A 116 7.560 3.729 0.314 1.00 51.21 O ATOM 1115 OE2 GLU A 116 7.046 3.523 2.433 1.00 45.43 O ATOM 0 H GLU A 116 4.143 0.918 2.213 1.00 50.43 H new ATOM 0 HA GLU A 116 4.142 3.682 1.793 1.00 34.12 H new ATOM 0 HB2 GLU A 116 4.394 1.397 -0.207 1.00 70.53 H new ATOM 0 HB3 GLU A 116 4.940 3.042 -0.465 1.00 70.53 H new ATOM 0 HG2 GLU A 116 5.968 1.353 1.827 1.00 24.22 H new ATOM 0 HG3 GLU A 116 6.691 1.292 0.232 1.00 24.22 H new ATOM 1122 N ALA A 117 1.681 2.083 0.285 1.00 44.31 N ATOM 1123 CA ALA A 117 0.388 2.266 -0.362 1.00 15.52 C ATOM 1124 C ALA A 117 -0.556 3.060 0.531 1.00 31.42 C ATOM 1125 O ALA A 117 -1.223 3.995 0.078 1.00 63.10 O ATOM 1126 CB ALA A 117 -0.225 0.916 -0.712 1.00 0.31 C ATOM 0 H ALA A 117 1.929 1.109 0.459 1.00 44.31 H new ATOM 0 HA ALA A 117 0.543 2.829 -1.282 1.00 15.52 H new ATOM 0 HB1 ALA A 117 -1.190 1.069 -1.195 1.00 0.31 H new ATOM 0 HB2 ALA A 117 0.439 0.380 -1.390 1.00 0.31 H new ATOM 0 HB3 ALA A 117 -0.363 0.332 0.198 1.00 0.31 H new ATOM 1132 N ALA A 118 -0.590 2.698 1.808 1.00 70.54 N ATOM 1133 CA ALA A 118 -1.452 3.366 2.770 1.00 32.32 C ATOM 1134 C ALA A 118 -0.999 4.803 3.011 1.00 70.55 C ATOM 1135 O ALA A 118 -1.815 5.678 3.295 1.00 55.11 O ATOM 1136 CB ALA A 118 -1.489 2.596 4.078 1.00 61.02 C ATOM 0 H ALA A 118 -0.028 1.943 2.200 1.00 70.54 H new ATOM 0 HA ALA A 118 -2.459 3.395 2.354 1.00 32.32 H new ATOM 0 HB1 ALA A 118 -2.139 3.111 4.785 1.00 61.02 H new ATOM 0 HB2 ALA A 118 -1.872 1.592 3.898 1.00 61.02 H new ATOM 0 HB3 ALA A 118 -0.482 2.532 4.491 1.00 61.02 H new ATOM 1142 N ALA A 119 0.304 5.043 2.892 1.00 15.30 N ATOM 1143 CA ALA A 119 0.849 6.388 3.041 1.00 42.05 C ATOM 1144 C ALA A 119 0.290 7.304 1.962 1.00 33.33 C ATOM 1145 O ALA A 119 -0.064 8.454 2.225 1.00 61.35 O ATOM 1146 CB ALA A 119 2.369 6.361 2.979 1.00 12.13 C ATOM 0 H ALA A 119 1.000 4.325 2.693 1.00 15.30 H new ATOM 0 HA ALA A 119 0.554 6.775 4.016 1.00 42.05 H new ATOM 0 HB1 ALA A 119 2.756 7.374 3.092 1.00 12.13 H new ATOM 0 HB2 ALA A 119 2.755 5.733 3.782 1.00 12.13 H new ATOM 0 HB3 ALA A 119 2.687 5.956 2.018 1.00 12.13 H new ATOM 1152 N THR A 120 0.204 6.776 0.748 1.00 53.32 N ATOM 1153 CA THR A 120 -0.374 7.508 -0.367 1.00 51.53 C ATOM 1154 C THR A 120 -1.870 7.735 -0.142 1.00 1.14 C ATOM 1155 O THR A 120 -2.417 8.777 -0.505 1.00 70.23 O ATOM 1156 CB THR A 120 -0.148 6.757 -1.696 1.00 73.13 C ATOM 1157 OG1 THR A 120 1.250 6.478 -1.860 1.00 10.11 O ATOM 1158 CG2 THR A 120 -0.639 7.574 -2.882 1.00 2.05 C ATOM 0 H THR A 120 0.529 5.839 0.512 1.00 53.32 H new ATOM 0 HA THR A 120 0.125 8.475 -0.428 1.00 51.53 H new ATOM 0 HB THR A 120 -0.715 5.827 -1.660 1.00 73.13 H new ATOM 0 HG1 THR A 120 1.523 5.786 -1.222 1.00 10.11 H new ATOM 0 HG21 THR A 120 -0.466 7.018 -3.803 1.00 2.05 H new ATOM 0 HG22 THR A 120 -1.705 7.771 -2.772 1.00 2.05 H new ATOM 0 HG23 THR A 120 -0.098 8.519 -2.922 1.00 2.05 H new ATOM 1166 N ALA A 121 -2.523 6.762 0.480 1.00 73.24 N ATOM 1167 CA ALA A 121 -3.933 6.887 0.812 1.00 71.51 C ATOM 1168 C ALA A 121 -4.149 8.012 1.816 1.00 2.44 C ATOM 1169 O ALA A 121 -5.018 8.863 1.627 1.00 21.04 O ATOM 1170 CB ALA A 121 -4.467 5.574 1.360 1.00 34.54 C ATOM 0 H ALA A 121 -2.098 5.879 0.764 1.00 73.24 H new ATOM 0 HA ALA A 121 -4.481 7.130 -0.098 1.00 71.51 H new ATOM 0 HB1 ALA A 121 -5.524 5.684 1.604 1.00 34.54 H new ATOM 0 HB2 ALA A 121 -4.347 4.791 0.611 1.00 34.54 H new ATOM 0 HB3 ALA A 121 -3.914 5.303 2.259 1.00 34.54 H new ATOM 1176 N LEU A 122 -3.336 8.023 2.868 1.00 3.14 N ATOM 1177 CA LEU A 122 -3.437 9.039 3.913 1.00 61.43 C ATOM 1178 C LEU A 122 -3.283 10.441 3.335 1.00 44.22 C ATOM 1179 O LEU A 122 -4.112 11.315 3.581 1.00 54.41 O ATOM 1180 CB LEU A 122 -2.374 8.819 4.991 1.00 14.23 C ATOM 1181 CG LEU A 122 -2.449 7.490 5.741 1.00 14.44 C ATOM 1182 CD1 LEU A 122 -1.430 7.468 6.862 1.00 54.33 C ATOM 1183 CD2 LEU A 122 -3.846 7.254 6.283 1.00 54.55 C ATOM 0 H LEU A 122 -2.597 7.337 3.021 1.00 3.14 H new ATOM 0 HA LEU A 122 -4.427 8.947 4.359 1.00 61.43 H new ATOM 0 HB2 LEU A 122 -1.391 8.897 4.526 1.00 14.23 H new ATOM 0 HB3 LEU A 122 -2.448 9.628 5.717 1.00 14.23 H new ATOM 0 HG LEU A 122 -2.220 6.685 5.043 1.00 14.44 H new ATOM 0 HD11 LEU A 122 -1.491 6.517 7.391 1.00 54.33 H new ATOM 0 HD12 LEU A 122 -0.429 7.589 6.447 1.00 54.33 H new ATOM 0 HD13 LEU A 122 -1.635 8.283 7.556 1.00 54.33 H new ATOM 0 HD21 LEU A 122 -3.875 6.302 6.813 1.00 54.55 H new ATOM 0 HD22 LEU A 122 -4.111 8.059 6.969 1.00 54.55 H new ATOM 0 HD23 LEU A 122 -4.558 7.231 5.458 1.00 54.55 H new ATOM 1195 N ARG A 123 -2.232 10.639 2.541 1.00 44.23 N ATOM 1196 CA ARG A 123 -1.928 11.955 1.971 1.00 4.11 C ATOM 1197 C ARG A 123 -2.991 12.382 0.962 1.00 73.25 C ATOM 1198 O ARG A 123 -3.047 13.544 0.558 1.00 34.44 O ATOM 1199 CB ARG A 123 -0.551 11.942 1.306 1.00 65.20 C ATOM 1200 CG ARG A 123 -0.470 11.044 0.085 1.00 4.20 C ATOM 1201 CD ARG A 123 0.909 11.069 -0.547 1.00 13.11 C ATOM 1202 NE ARG A 123 1.260 12.399 -1.031 1.00 13.22 N ATOM 1203 CZ ARG A 123 2.406 12.697 -1.637 1.00 60.24 C ATOM 1204 NH1 ARG A 123 3.289 11.739 -1.909 1.00 11.33 N ATOM 1205 NH2 ARG A 123 2.653 13.951 -1.993 1.00 51.23 N ATOM 0 H ARG A 123 -1.575 9.905 2.276 1.00 44.23 H new ATOM 0 HA ARG A 123 -1.924 12.678 2.787 1.00 4.11 H new ATOM 0 HB2 ARG A 123 -0.288 12.959 1.016 1.00 65.20 H new ATOM 0 HB3 ARG A 123 0.191 11.617 2.035 1.00 65.20 H new ATOM 0 HG2 ARG A 123 -0.720 10.022 0.369 1.00 4.20 H new ATOM 0 HG3 ARG A 123 -1.211 11.361 -0.649 1.00 4.20 H new ATOM 0 HD2 ARG A 123 1.649 10.741 0.183 1.00 13.11 H new ATOM 0 HD3 ARG A 123 0.942 10.361 -1.375 1.00 13.11 H new ATOM 0 HE ARG A 123 0.583 13.150 -0.896 1.00 13.22 H new ATOM 0 HH11 ARG A 123 3.088 10.772 -1.653 1.00 11.33 H new ATOM 0 HH12 ARG A 123 4.167 11.971 -2.374 1.00 11.33 H new ATOM 0 HH21 ARG A 123 1.966 14.680 -1.802 1.00 51.23 H new ATOM 0 HH22 ARG A 123 3.530 14.186 -2.458 1.00 51.23 H new ATOM 1219 N SER A 124 -3.815 11.434 0.546 1.00 12.42 N ATOM 1220 CA SER A 124 -4.919 11.723 -0.346 1.00 0.13 C ATOM 1221 C SER A 124 -6.079 12.327 0.434 1.00 54.14 C ATOM 1222 O SER A 124 -6.821 13.165 -0.082 1.00 12.13 O ATOM 1223 CB SER A 124 -5.363 10.443 -1.053 1.00 14.11 C ATOM 1224 OG SER A 124 -6.381 10.692 -2.010 1.00 44.43 O ATOM 0 H SER A 124 -3.737 10.453 0.815 1.00 12.42 H new ATOM 0 HA SER A 124 -4.592 12.444 -1.095 1.00 0.13 H new ATOM 0 HB2 SER A 124 -4.506 9.985 -1.546 1.00 14.11 H new ATOM 0 HB3 SER A 124 -5.726 9.728 -0.315 1.00 14.11 H new ATOM 0 HG SER A 124 -6.019 10.570 -2.912 1.00 44.43 H new ATOM 1230 N PHE A 125 -6.217 11.914 1.687 1.00 74.12 N ATOM 1231 CA PHE A 125 -7.296 12.407 2.531 1.00 73.02 C ATOM 1232 C PHE A 125 -6.883 13.706 3.207 1.00 61.34 C ATOM 1233 O PHE A 125 -7.619 14.694 3.184 1.00 3.54 O ATOM 1234 CB PHE A 125 -7.688 11.375 3.594 1.00 4.25 C ATOM 1235 CG PHE A 125 -8.201 10.076 3.037 1.00 61.14 C ATOM 1236 CD1 PHE A 125 -9.365 10.033 2.280 1.00 64.31 C ATOM 1237 CD2 PHE A 125 -7.528 8.895 3.292 1.00 13.44 C ATOM 1238 CE1 PHE A 125 -9.840 8.832 1.786 1.00 23.23 C ATOM 1239 CE2 PHE A 125 -7.997 7.696 2.798 1.00 24.11 C ATOM 1240 CZ PHE A 125 -9.154 7.664 2.047 1.00 22.55 C ATOM 0 H PHE A 125 -5.598 11.242 2.140 1.00 74.12 H new ATOM 0 HA PHE A 125 -8.161 12.588 1.893 1.00 73.02 H new ATOM 0 HB2 PHE A 125 -6.821 11.170 4.222 1.00 4.25 H new ATOM 0 HB3 PHE A 125 -8.453 11.808 4.239 1.00 4.25 H new ATOM 0 HD1 PHE A 125 -9.904 10.946 2.075 1.00 64.31 H new ATOM 0 HD2 PHE A 125 -6.625 8.912 3.885 1.00 13.44 H new ATOM 0 HE1 PHE A 125 -10.745 8.808 1.198 1.00 23.23 H new ATOM 0 HE2 PHE A 125 -7.458 6.782 2.999 1.00 24.11 H new ATOM 0 HZ PHE A 125 -9.523 6.724 1.663 1.00 22.55 H new ATOM 1250 N ILE A 126 -5.699 13.695 3.808 1.00 74.15 N ATOM 1251 CA ILE A 126 -5.169 14.866 4.495 1.00 31.22 C ATOM 1252 C ILE A 126 -3.705 15.065 4.127 1.00 42.24 C ATOM 1253 O ILE A 126 -2.974 14.099 3.913 1.00 73.31 O ATOM 1254 CB ILE A 126 -5.302 14.778 6.045 1.00 1.43 C ATOM 1255 CG1 ILE A 126 -4.493 13.602 6.630 1.00 71.12 C ATOM 1256 CG2 ILE A 126 -6.766 14.683 6.454 1.00 60.54 C ATOM 1257 CD1 ILE A 126 -5.097 12.231 6.402 1.00 13.25 C ATOM 0 H ILE A 126 -5.084 12.882 3.833 1.00 74.15 H new ATOM 0 HA ILE A 126 -5.767 15.716 4.167 1.00 31.22 H new ATOM 0 HB ILE A 126 -4.883 15.695 6.459 1.00 1.43 H new ATOM 0 HG12 ILE A 126 -3.493 13.618 6.197 1.00 71.12 H new ATOM 0 HG13 ILE A 126 -4.378 13.758 7.703 1.00 71.12 H new ATOM 0 HG21 ILE A 126 -6.837 14.622 7.540 1.00 60.54 H new ATOM 0 HG22 ILE A 126 -7.300 15.567 6.104 1.00 60.54 H new ATOM 0 HG23 ILE A 126 -7.210 13.792 6.011 1.00 60.54 H new ATOM 0 HD11 ILE A 126 -4.456 11.472 6.850 1.00 13.25 H new ATOM 0 HD12 ILE A 126 -6.085 12.188 6.861 1.00 13.25 H new ATOM 0 HD13 ILE A 126 -5.186 12.046 5.331 1.00 13.25 H new ATOM 1269 N GLN A 127 -3.281 16.313 4.053 1.00 13.25 N ATOM 1270 CA GLN A 127 -1.919 16.623 3.658 1.00 25.32 C ATOM 1271 C GLN A 127 -1.138 17.150 4.858 1.00 64.11 C ATOM 1272 O GLN A 127 -1.601 18.054 5.559 1.00 2.03 O ATOM 1273 CB GLN A 127 -1.918 17.655 2.525 1.00 45.33 C ATOM 1274 CG GLN A 127 -0.999 17.290 1.363 1.00 61.04 C ATOM 1275 CD GLN A 127 0.471 17.257 1.742 1.00 31.25 C ATOM 1276 OE1 GLN A 127 1.242 16.464 1.205 1.00 4.33 O ATOM 1277 NE2 GLN A 127 0.878 18.138 2.643 1.00 71.33 N ATOM 0 H GLN A 127 -3.859 17.127 4.261 1.00 13.25 H new ATOM 0 HA GLN A 127 -1.438 15.714 3.297 1.00 25.32 H new ATOM 0 HB2 GLN A 127 -2.935 17.770 2.150 1.00 45.33 H new ATOM 0 HB3 GLN A 127 -1.615 18.622 2.927 1.00 45.33 H new ATOM 0 HG2 GLN A 127 -1.288 16.314 0.974 1.00 61.04 H new ATOM 0 HG3 GLN A 127 -1.142 18.009 0.557 1.00 61.04 H new ATOM 0 HE21 GLN A 127 0.209 18.780 3.067 1.00 71.33 H new ATOM 0 HE22 GLN A 127 1.861 18.174 2.913 1.00 71.33 H new ATOM 1286 N PHE A 128 0.034 16.575 5.096 1.00 15.21 N ATOM 1287 CA PHE A 128 0.867 16.969 6.226 1.00 24.15 C ATOM 1288 C PHE A 128 2.292 17.269 5.789 1.00 65.25 C ATOM 1289 O PHE A 128 2.649 17.124 4.618 1.00 75.02 O ATOM 1290 CB PHE A 128 0.878 15.875 7.296 1.00 31.13 C ATOM 1291 CG PHE A 128 -0.306 15.921 8.214 1.00 52.32 C ATOM 1292 CD1 PHE A 128 -1.544 15.462 7.800 1.00 30.04 C ATOM 1293 CD2 PHE A 128 -0.174 16.417 9.499 1.00 14.21 C ATOM 1294 CE1 PHE A 128 -2.630 15.502 8.651 1.00 24.04 C ATOM 1295 CE2 PHE A 128 -1.256 16.460 10.354 1.00 11.20 C ATOM 1296 CZ PHE A 128 -2.486 16.000 9.930 1.00 60.02 C ATOM 0 H PHE A 128 0.430 15.832 4.520 1.00 15.21 H new ATOM 0 HA PHE A 128 0.436 17.878 6.645 1.00 24.15 H new ATOM 0 HB2 PHE A 128 0.911 14.901 6.808 1.00 31.13 H new ATOM 0 HB3 PHE A 128 1.789 15.966 7.887 1.00 31.13 H new ATOM 0 HD1 PHE A 128 -1.662 15.069 6.801 1.00 30.04 H new ATOM 0 HD2 PHE A 128 0.787 16.775 9.837 1.00 14.21 H new ATOM 0 HE1 PHE A 128 -3.592 15.144 8.316 1.00 24.04 H new ATOM 0 HE2 PHE A 128 -1.141 16.853 11.353 1.00 11.20 H new ATOM 0 HZ PHE A 128 -3.334 16.030 10.598 1.00 60.02 H new ATOM 1306 N LYS A 129 3.104 17.680 6.746 1.00 61.42 N ATOM 1307 CA LYS A 129 4.493 18.007 6.491 1.00 51.23 C ATOM 1308 C LYS A 129 5.384 17.230 7.450 1.00 55.12 C ATOM 1309 O LYS A 129 5.352 17.457 8.658 1.00 64.24 O ATOM 1310 CB LYS A 129 4.708 19.512 6.660 1.00 23.12 C ATOM 1311 CG LYS A 129 6.123 19.978 6.359 1.00 35.44 C ATOM 1312 CD LYS A 129 6.266 21.472 6.590 1.00 65.40 C ATOM 1313 CE LYS A 129 7.670 21.960 6.277 1.00 4.11 C ATOM 1314 NZ LYS A 129 8.029 21.761 4.849 1.00 20.02 N ATOM 0 H LYS A 129 2.819 17.796 7.719 1.00 61.42 H new ATOM 0 HA LYS A 129 4.752 17.731 5.469 1.00 51.23 H new ATOM 0 HB2 LYS A 129 4.016 20.042 6.005 1.00 23.12 H new ATOM 0 HB3 LYS A 129 4.456 19.791 7.683 1.00 23.12 H new ATOM 0 HG2 LYS A 129 6.829 19.440 6.991 1.00 35.44 H new ATOM 0 HG3 LYS A 129 6.376 19.741 5.326 1.00 35.44 H new ATOM 0 HD2 LYS A 129 5.548 22.006 5.967 1.00 65.40 H new ATOM 0 HD3 LYS A 129 6.023 21.704 7.627 1.00 65.40 H new ATOM 0 HE2 LYS A 129 7.749 23.018 6.525 1.00 4.11 H new ATOM 0 HE3 LYS A 129 8.385 21.431 6.907 1.00 4.11 H new ATOM 0 HZ1 LYS A 129 8.902 22.284 4.634 1.00 20.02 H new ATOM 0 HZ2 LYS A 129 8.179 20.748 4.667 1.00 20.02 H new ATOM 0 HZ3 LYS A 129 7.258 22.111 4.245 1.00 20.02 H new ATOM 1328 N ASP A 130 6.159 16.303 6.913 1.00 65.41 N ATOM 1329 CA ASP A 130 7.041 15.477 7.730 1.00 72.02 C ATOM 1330 C ASP A 130 8.486 15.919 7.563 1.00 3.22 C ATOM 1331 O ASP A 130 9.264 15.925 8.516 1.00 34.14 O ATOM 1332 CB ASP A 130 6.898 14.002 7.351 1.00 4.24 C ATOM 1333 CG ASP A 130 7.704 13.093 8.258 1.00 22.21 C ATOM 1334 OD1 ASP A 130 8.912 12.915 8.007 1.00 64.24 O ATOM 1335 OD2 ASP A 130 7.132 12.545 9.224 1.00 45.04 O ATOM 0 H ASP A 130 6.198 16.101 5.914 1.00 65.41 H new ATOM 0 HA ASP A 130 6.754 15.599 8.774 1.00 72.02 H new ATOM 0 HB2 ASP A 130 5.847 13.718 7.397 1.00 4.24 H new ATOM 0 HB3 ASP A 130 7.221 13.861 6.320 1.00 4.24 H new ATOM 1340 N GLY A 131 8.832 16.312 6.345 1.00 62.12 N ATOM 1341 CA GLY A 131 10.201 16.673 6.045 1.00 51.53 C ATOM 1342 C GLY A 131 10.911 15.559 5.311 1.00 34.20 C ATOM 1343 O GLY A 131 11.788 15.803 4.482 1.00 54.30 O ATOM 0 H GLY A 131 8.187 16.387 5.558 1.00 62.12 H new ATOM 0 HA2 GLY A 131 10.217 17.579 5.439 1.00 51.53 H new ATOM 0 HA3 GLY A 131 10.732 16.899 6.970 1.00 51.53 H new ATOM 1347 N ALA A 132 10.514 14.333 5.620 1.00 54.34 N ATOM 1348 CA ALA A 132 11.051 13.155 4.968 1.00 42.22 C ATOM 1349 C ALA A 132 10.688 13.148 3.492 1.00 23.12 C ATOM 1350 O ALA A 132 9.529 13.353 3.127 1.00 21.12 O ATOM 1351 CB ALA A 132 10.516 11.908 5.647 1.00 70.43 C ATOM 0 H ALA A 132 9.810 14.131 6.330 1.00 54.34 H new ATOM 0 HA ALA A 132 12.138 13.171 5.051 1.00 42.22 H new ATOM 0 HB1 ALA A 132 10.921 11.024 5.155 1.00 70.43 H new ATOM 0 HB2 ALA A 132 10.814 11.908 6.696 1.00 70.43 H new ATOM 0 HB3 ALA A 132 9.428 11.895 5.579 1.00 70.43 H new ATOM 1357 N VAL A 133 11.678 12.920 2.648 1.00 11.25 N ATOM 1358 CA VAL A 133 11.460 12.886 1.212 1.00 35.14 C ATOM 1359 C VAL A 133 10.980 11.505 0.785 1.00 74.03 C ATOM 1360 O VAL A 133 11.681 10.507 0.968 1.00 12.03 O ATOM 1361 CB VAL A 133 12.745 13.252 0.434 1.00 53.04 C ATOM 1362 CG1 VAL A 133 12.479 13.290 -1.064 1.00 24.45 C ATOM 1363 CG2 VAL A 133 13.307 14.584 0.915 1.00 74.21 C ATOM 0 H VAL A 133 12.644 12.755 2.933 1.00 11.25 H new ATOM 0 HA VAL A 133 10.696 13.627 0.977 1.00 35.14 H new ATOM 0 HB VAL A 133 13.489 12.479 0.627 1.00 53.04 H new ATOM 0 HG11 VAL A 133 13.398 13.550 -1.590 1.00 24.45 H new ATOM 0 HG12 VAL A 133 12.134 12.311 -1.397 1.00 24.45 H new ATOM 0 HG13 VAL A 133 11.714 14.037 -1.279 1.00 24.45 H new ATOM 0 HG21 VAL A 133 14.211 14.821 0.354 1.00 74.21 H new ATOM 0 HG22 VAL A 133 12.567 15.369 0.760 1.00 74.21 H new ATOM 0 HG23 VAL A 133 13.546 14.516 1.976 1.00 74.21 H new ATOM 1373 N LEU A 134 9.778 11.450 0.230 1.00 63.43 N ATOM 1374 CA LEU A 134 9.198 10.197 -0.218 1.00 65.31 C ATOM 1375 C LEU A 134 9.206 10.127 -1.739 1.00 62.33 C ATOM 1376 O LEU A 134 8.305 10.641 -2.407 1.00 45.34 O ATOM 1377 CB LEU A 134 7.771 10.042 0.317 1.00 44.15 C ATOM 1378 CG LEU A 134 7.097 8.707 -0.008 1.00 34.55 C ATOM 1379 CD1 LEU A 134 7.875 7.550 0.604 1.00 22.21 C ATOM 1380 CD2 LEU A 134 5.663 8.707 0.494 1.00 1.42 C ATOM 0 H LEU A 134 9.184 12.265 0.079 1.00 63.43 H new ATOM 0 HA LEU A 134 9.801 9.377 0.172 1.00 65.31 H new ATOM 0 HB2 LEU A 134 7.790 10.168 1.400 1.00 44.15 H new ATOM 0 HB3 LEU A 134 7.159 10.848 -0.087 1.00 44.15 H new ATOM 0 HG LEU A 134 7.088 8.578 -1.090 1.00 34.55 H new ATOM 0 HD11 LEU A 134 7.380 6.610 0.362 1.00 22.21 H new ATOM 0 HD12 LEU A 134 8.888 7.540 0.203 1.00 22.21 H new ATOM 0 HD13 LEU A 134 7.915 7.671 1.687 1.00 22.21 H new ATOM 0 HD21 LEU A 134 5.194 7.752 0.257 1.00 1.42 H new ATOM 0 HD22 LEU A 134 5.655 8.857 1.574 1.00 1.42 H new ATOM 0 HD23 LEU A 134 5.109 9.513 0.012 1.00 1.42 H new ATOM 1392 N SER A 135 10.245 9.510 -2.276 1.00 54.40 N ATOM 1393 CA SER A 135 10.404 9.368 -3.712 1.00 45.12 C ATOM 1394 C SER A 135 11.251 8.133 -4.010 1.00 42.22 C ATOM 1395 O SER A 135 11.970 7.653 -3.133 1.00 11.23 O ATOM 1396 CB SER A 135 11.049 10.629 -4.299 1.00 31.33 C ATOM 1397 OG SER A 135 12.246 10.966 -3.616 1.00 45.04 O ATOM 0 H SER A 135 11.000 9.095 -1.730 1.00 54.40 H new ATOM 0 HA SER A 135 9.426 9.242 -4.176 1.00 45.12 H new ATOM 0 HB2 SER A 135 11.264 10.471 -5.356 1.00 31.33 H new ATOM 0 HB3 SER A 135 10.347 11.461 -4.237 1.00 31.33 H new ATOM 0 HG SER A 135 12.634 11.773 -4.015 1.00 45.04 H new ATOM 1403 N PRO A 136 11.161 7.587 -5.235 1.00 35.43 N ATOM 1404 CA PRO A 136 11.929 6.402 -5.624 1.00 44.32 C ATOM 1405 C PRO A 136 13.414 6.703 -5.820 1.00 35.22 C ATOM 1406 O PRO A 136 13.917 6.706 -6.945 1.00 54.11 O ATOM 1407 CB PRO A 136 11.282 5.977 -6.946 1.00 62.33 C ATOM 1408 CG PRO A 136 10.712 7.232 -7.509 1.00 32.44 C ATOM 1409 CD PRO A 136 10.293 8.067 -6.329 1.00 40.42 C ATOM 0 HA PRO A 136 11.902 5.630 -4.855 1.00 44.32 H new ATOM 0 HB2 PRO A 136 12.015 5.537 -7.622 1.00 62.33 H new ATOM 0 HB3 PRO A 136 10.507 5.228 -6.785 1.00 62.33 H new ATOM 0 HG2 PRO A 136 11.450 7.757 -8.116 1.00 32.44 H new ATOM 0 HG3 PRO A 136 9.862 7.018 -8.156 1.00 32.44 H new ATOM 0 HD2 PRO A 136 10.439 9.130 -6.519 1.00 40.42 H new ATOM 0 HD3 PRO A 136 9.238 7.927 -6.094 1.00 40.42 H new ATOM 1417 N LEU A 137 14.106 6.970 -4.721 1.00 64.01 N ATOM 1418 CA LEU A 137 15.542 7.199 -4.756 1.00 60.33 C ATOM 1419 C LEU A 137 16.258 5.882 -5.009 1.00 30.52 C ATOM 1420 O LEU A 137 17.217 5.813 -5.776 1.00 21.14 O ATOM 1421 CB LEU A 137 16.017 7.819 -3.441 1.00 64.54 C ATOM 1422 CG LEU A 137 15.351 9.147 -3.073 1.00 74.05 C ATOM 1423 CD1 LEU A 137 15.794 9.599 -1.690 1.00 24.12 C ATOM 1424 CD2 LEU A 137 15.674 10.214 -4.111 1.00 32.35 C ATOM 0 H LEU A 137 13.693 7.033 -3.791 1.00 64.01 H new ATOM 0 HA LEU A 137 15.773 7.894 -5.563 1.00 60.33 H new ATOM 0 HB2 LEU A 137 15.840 7.106 -2.636 1.00 64.54 H new ATOM 0 HB3 LEU A 137 17.094 7.974 -3.498 1.00 64.54 H new ATOM 0 HG LEU A 137 14.271 8.997 -3.059 1.00 74.05 H new ATOM 0 HD11 LEU A 137 15.311 10.545 -1.444 1.00 24.12 H new ATOM 0 HD12 LEU A 137 15.513 8.846 -0.954 1.00 24.12 H new ATOM 0 HD13 LEU A 137 16.876 9.731 -1.679 1.00 24.12 H new ATOM 0 HD21 LEU A 137 15.192 11.151 -3.832 1.00 32.35 H new ATOM 0 HD22 LEU A 137 16.753 10.361 -4.158 1.00 32.35 H new ATOM 0 HD23 LEU A 137 15.309 9.894 -5.087 1.00 32.35 H new ATOM 1436 N LYS A 138 15.772 4.837 -4.355 1.00 12.11 N ATOM 1437 CA LYS A 138 16.258 3.489 -4.589 1.00 24.32 C ATOM 1438 C LYS A 138 15.198 2.678 -5.323 1.00 33.14 C ATOM 1439 O LYS A 138 14.174 2.317 -4.742 1.00 31.14 O ATOM 1440 CB LYS A 138 16.613 2.804 -3.269 1.00 24.22 C ATOM 1441 CG LYS A 138 17.748 3.475 -2.514 1.00 22.32 C ATOM 1442 CD LYS A 138 18.066 2.745 -1.220 1.00 3.54 C ATOM 1443 CE LYS A 138 18.545 1.325 -1.474 1.00 44.21 C ATOM 1444 NZ LYS A 138 19.782 1.291 -2.301 1.00 74.13 N ATOM 0 H LYS A 138 15.035 4.900 -3.653 1.00 12.11 H new ATOM 0 HA LYS A 138 17.158 3.548 -5.201 1.00 24.32 H new ATOM 0 HB2 LYS A 138 15.728 2.783 -2.632 1.00 24.22 H new ATOM 0 HB3 LYS A 138 16.886 1.768 -3.470 1.00 24.22 H new ATOM 0 HG2 LYS A 138 18.637 3.505 -3.144 1.00 22.32 H new ATOM 0 HG3 LYS A 138 17.479 4.508 -2.293 1.00 22.32 H new ATOM 0 HD2 LYS A 138 18.832 3.294 -0.672 1.00 3.54 H new ATOM 0 HD3 LYS A 138 17.178 2.721 -0.589 1.00 3.54 H new ATOM 0 HE2 LYS A 138 18.733 0.830 -0.521 1.00 44.21 H new ATOM 0 HE3 LYS A 138 17.758 0.762 -1.976 1.00 44.21 H new ATOM 0 HZ1 LYS A 138 20.196 0.337 -2.268 1.00 74.13 H new ATOM 0 HZ2 LYS A 138 19.548 1.533 -3.285 1.00 74.13 H new ATOM 0 HZ3 LYS A 138 20.467 1.979 -1.929 1.00 74.13 H new ATOM 1458 N PRO A 139 15.418 2.403 -6.614 1.00 61.11 N ATOM 1459 CA PRO A 139 14.507 1.607 -7.424 1.00 43.40 C ATOM 1460 C PRO A 139 14.748 0.114 -7.226 1.00 63.52 C ATOM 1461 O PRO A 139 15.306 -0.305 -6.210 1.00 1.32 O ATOM 1462 CB PRO A 139 14.847 2.021 -8.866 1.00 54.30 C ATOM 1463 CG PRO A 139 15.992 2.985 -8.773 1.00 14.52 C ATOM 1464 CD PRO A 139 16.573 2.840 -7.396 1.00 4.10 C ATOM 0 HA PRO A 139 13.462 1.776 -7.163 1.00 43.40 H new ATOM 0 HB2 PRO A 139 15.119 1.152 -9.465 1.00 54.30 H new ATOM 0 HB3 PRO A 139 13.987 2.485 -9.349 1.00 54.30 H new ATOM 0 HG2 PRO A 139 16.742 2.768 -9.533 1.00 14.52 H new ATOM 0 HG3 PRO A 139 15.652 4.006 -8.943 1.00 14.52 H new ATOM 0 HD2 PRO A 139 17.381 2.109 -7.371 1.00 4.10 H new ATOM 0 HD3 PRO A 139 16.982 3.780 -7.026 1.00 4.10 H new ATOM 1472 N ALA A 140 14.326 -0.690 -8.184 1.00 33.25 N ATOM 1473 CA ALA A 140 14.582 -2.115 -8.122 1.00 41.10 C ATOM 1474 C ALA A 140 15.839 -2.449 -8.909 1.00 31.35 C ATOM 1475 O ALA A 140 15.754 -3.228 -9.878 1.00 38.65 O ATOM 1476 CB ALA A 140 13.385 -2.897 -8.645 1.00 71.33 C ATOM 1477 OXT ALA A 140 16.904 -1.885 -8.581 1.00 38.65 O ATOM 0 H ALA A 140 13.809 -0.383 -9.008 1.00 33.25 H new ATOM 0 HA ALA A 140 14.738 -2.403 -7.082 1.00 41.10 H new ATOM 0 HB1 ALA A 140 13.596 -3.965 -8.591 1.00 71.33 H new ATOM 0 HB2 ALA A 140 12.508 -2.669 -8.039 1.00 71.33 H new ATOM 0 HB3 ALA A 140 13.192 -2.618 -9.681 1.00 71.33 H new TER 1483 ALA A 140