USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 200 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 119 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0212) USER MOD Set 1.2: A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 112 THR OG1 : rot -44:sc= 0.118 USER MOD Set 2.2: A 115 THR OG1 : rot -170:sc= 0.434 USER MOD Set 3.1: A 87 THR OG1 : rot -106:sc= 0.391 USER MOD Set 3.2: A 94 ASN : amide:sc= -0.0244 K(o=0.37,f=-2.2!) USER MOD Set 4.1: A 56 SER OG : rot 21:sc= -1.97! USER MOD Set 4.2: A 60 MET CE :methyl -177:sc= -0.825 (180deg=-0.645) USER MOD Set 4.3: A 85 MET CE :methyl -150:sc= -1 (180deg=-2.26) USER MOD Set 5.1: A 26 LYS NZ :NH3+ -166:sc= -0.0217 (180deg=-0.267) USER MOD Set 5.2: A 31 ASN : amide:sc= -1.12 K(o=-1.1,f=-2.6!) USER MOD Set 6.1: A 15 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 16 THR OG1 : rot 106:sc= 0.663 USER MOD Single : A 4 LYS NZ :NH3+ 153:sc= -0.104 (180deg=-0.79) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl -146:sc= 0 (180deg=-0.546) USER MOD Single : A 23 ASN : amide:sc= 0.189 K(o=0.19,f=-5.7!) USER MOD Single : A 32 ASN : amide:sc= -0.381 K(o=-0.38,f=-1.7) USER MOD Single : A 44 ASN : amide:sc= -0.031 K(o=-0.031,f=-1.7) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0.0684 X(o=0.068,f=-0.066) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0247 K(o=-0.025,f=-1.1) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 63 MET CE :methyl -176:sc= 0 (180deg=-0.012) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 35:sc= 0.106 USER MOD Single : A 78 MET CE :methyl -147:sc= -0.132 (180deg=-1.81) USER MOD Single : A 79 SER OG : rot -106:sc= 1.23 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0793) USER MOD Single : A 100 GLN : amide:sc= -2.56! C(o=-2.6!,f=-7.1!) USER MOD Single : A 104 SER OG : rot -130:sc= 0.486 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 142:sc= 0.112 (180deg=0) USER MOD Single : A 121 ASN : amide:sc= -0.034 K(o=-0.034,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -14.103 -1.903 -7.944 1.00 0.00 N ATOM 38 CA LYS A 4 -14.526 -1.652 -6.547 1.00 0.00 C ATOM 39 C LYS A 4 -14.181 -2.751 -5.534 1.00 0.00 C ATOM 40 O LYS A 4 -13.799 -2.456 -4.401 1.00 0.00 O ATOM 41 CB LYS A 4 -16.017 -1.338 -6.483 1.00 0.00 C ATOM 42 CG LYS A 4 -16.358 -0.043 -7.236 1.00 0.00 C ATOM 43 CD LYS A 4 -15.538 1.156 -6.733 1.00 0.00 C ATOM 44 CE LYS A 4 -16.059 2.469 -7.314 1.00 0.00 C ATOM 45 NZ LYS A 4 -17.398 2.695 -6.760 1.00 0.00 N ATOM 0 HA LYS A 4 -13.934 -0.790 -6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.582 -2.167 -6.910 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.325 -1.245 -5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -16.174 -0.185 -8.301 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -17.420 0.172 -7.122 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -15.579 1.196 -5.645 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.491 1.024 -7.008 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.393 3.293 -7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -16.098 2.418 -8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.597 3.715 -6.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -18.105 2.216 -7.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.443 2.314 -5.793 1.00 0.00 H new ATOM 50 N GLU A 5 -14.159 -3.992 -5.992 1.00 0.00 N ATOM 51 CA GLU A 5 -13.837 -5.128 -5.112 1.00 0.00 C ATOM 52 C GLU A 5 -12.387 -5.620 -5.240 1.00 0.00 C ATOM 53 O GLU A 5 -12.079 -6.802 -5.122 1.00 0.00 O ATOM 54 CB GLU A 5 -14.905 -6.226 -5.242 1.00 0.00 C ATOM 55 CG GLU A 5 -16.199 -5.794 -4.528 1.00 0.00 C ATOM 56 CD GLU A 5 -16.019 -5.690 -3.007 1.00 0.00 C ATOM 57 OE1 GLU A 5 -16.091 -6.757 -2.356 1.00 0.00 O ATOM 58 OE2 GLU A 5 -15.797 -4.561 -2.518 1.00 0.00 O ATOM 0 H GLU A 5 -14.357 -4.248 -6.959 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.878 -4.774 -4.082 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.110 -6.422 -6.295 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.536 -7.156 -4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -16.523 -4.830 -4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.990 -6.510 -4.750 1.00 0.00 H new ATOM 60 N LEU A 6 -11.523 -4.602 -5.216 1.00 0.00 N ATOM 61 CA LEU A 6 -10.057 -4.746 -5.296 1.00 0.00 C ATOM 62 C LEU A 6 -9.561 -5.141 -3.902 1.00 0.00 C ATOM 63 O LEU A 6 -10.006 -4.599 -2.895 1.00 0.00 O ATOM 64 CB LEU A 6 -9.487 -3.391 -5.739 1.00 0.00 C ATOM 65 CG LEU A 6 -7.985 -3.384 -6.038 1.00 0.00 C ATOM 66 CD1 LEU A 6 -7.600 -4.338 -7.169 1.00 0.00 C ATOM 67 CD2 LEU A 6 -7.553 -1.982 -6.458 1.00 0.00 C ATOM 0 H LEU A 6 -11.824 -3.631 -5.139 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.742 -5.508 -6.009 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.021 -3.064 -6.631 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.690 -2.657 -4.959 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.488 -3.708 -5.124 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.524 -4.290 -7.335 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -7.880 -5.356 -6.897 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -8.122 -4.050 -8.082 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -6.484 -1.979 -6.670 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.101 -1.685 -7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.765 -1.279 -5.652 1.00 0.00 H new ATOM 69 N LYS A 7 -8.791 -6.224 -3.880 1.00 0.00 N ATOM 70 CA LYS A 7 -8.235 -6.786 -2.633 1.00 0.00 C ATOM 71 C LYS A 7 -6.959 -6.053 -2.171 1.00 0.00 C ATOM 72 O LYS A 7 -5.910 -6.101 -2.808 1.00 0.00 O ATOM 73 CB LYS A 7 -8.015 -8.282 -2.821 1.00 0.00 C ATOM 74 CG LYS A 7 -7.882 -8.982 -1.469 1.00 0.00 C ATOM 75 CD LYS A 7 -7.786 -10.490 -1.637 1.00 0.00 C ATOM 76 CE LYS A 7 -7.707 -11.166 -0.273 1.00 0.00 C ATOM 77 NZ LYS A 7 -7.435 -12.600 -0.448 1.00 0.00 N ATOM 0 H LYS A 7 -8.530 -6.743 -4.718 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.953 -6.634 -1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.849 -8.710 -3.377 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.116 -8.451 -3.414 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.996 -8.614 -0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -8.741 -8.737 -0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.654 -10.859 -2.184 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.906 -10.742 -2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.921 -10.707 0.327 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.643 -11.026 0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.381 -13.059 0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.200 -13.033 -1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.531 -12.723 -0.947 1.00 0.00 H new ATOM 82 N PHE A 8 -7.144 -5.337 -1.061 1.00 0.00 N ATOM 83 CA PHE A 8 -6.099 -4.528 -0.400 1.00 0.00 C ATOM 84 C PHE A 8 -5.460 -5.234 0.798 1.00 0.00 C ATOM 85 O PHE A 8 -6.129 -5.881 1.596 1.00 0.00 O ATOM 86 CB PHE A 8 -6.671 -3.225 0.172 1.00 0.00 C ATOM 87 CG PHE A 8 -7.121 -2.252 -0.894 1.00 0.00 C ATOM 88 CD1 PHE A 8 -8.421 -2.379 -1.428 1.00 0.00 C ATOM 89 CD2 PHE A 8 -6.178 -1.366 -1.471 1.00 0.00 C ATOM 90 CE1 PHE A 8 -8.743 -1.675 -2.606 1.00 0.00 C ATOM 91 CE2 PHE A 8 -6.518 -0.635 -2.630 1.00 0.00 C ATOM 92 CZ PHE A 8 -7.783 -0.837 -3.209 1.00 0.00 C ATOM 0 H PHE A 8 -8.042 -5.297 -0.580 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.364 -4.351 -1.186 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.516 -3.460 0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -5.915 -2.747 0.795 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -9.156 -3.004 -0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.201 -1.250 -1.025 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -9.724 -1.777 -3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -5.820 0.066 -3.063 1.00 0.00 H new ATOM 0 HZ PHE A 8 -8.025 -0.339 -4.136 1.00 0.00 H new ATOM 94 N LEU A 9 -4.151 -5.029 0.911 1.00 0.00 N ATOM 95 CA LEU A 9 -3.413 -5.551 2.074 1.00 0.00 C ATOM 96 C LEU A 9 -2.729 -4.391 2.804 1.00 0.00 C ATOM 97 O LEU A 9 -1.752 -3.806 2.340 1.00 0.00 O ATOM 98 CB LEU A 9 -2.496 -6.710 1.678 1.00 0.00 C ATOM 99 CG LEU A 9 -1.906 -7.508 2.859 1.00 0.00 C ATOM 100 CD1 LEU A 9 -0.532 -6.940 3.168 1.00 0.00 C ATOM 101 CD2 LEU A 9 -2.762 -7.721 4.099 1.00 0.00 C ATOM 0 H LEU A 9 -3.584 -4.519 0.234 1.00 0.00 H new ATOM 0 HA LEU A 9 -4.099 -5.997 2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.055 -7.394 1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.675 -6.316 1.079 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.851 -8.540 2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -0.091 -7.487 4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.108 -7.037 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.625 -5.887 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -2.201 -8.299 4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.030 -6.755 4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.668 -8.262 3.827 1.00 0.00 H new ATOM 103 N VAL A 10 -3.424 -3.990 3.856 1.00 0.00 N ATOM 104 CA VAL A 10 -3.026 -2.892 4.760 1.00 0.00 C ATOM 105 C VAL A 10 -1.981 -3.430 5.745 1.00 0.00 C ATOM 106 O VAL A 10 -2.267 -4.198 6.661 1.00 0.00 O ATOM 107 CB VAL A 10 -4.254 -2.288 5.474 1.00 0.00 C ATOM 108 CG1 VAL A 10 -3.854 -1.175 6.442 1.00 0.00 C ATOM 109 CG2 VAL A 10 -5.238 -1.688 4.452 1.00 0.00 C ATOM 0 H VAL A 10 -4.308 -4.424 4.123 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.581 -2.077 4.189 1.00 0.00 H new ATOM 0 HB VAL A 10 -4.723 -3.102 6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.746 -0.775 6.925 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.180 -1.576 7.199 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.351 -0.379 5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.096 -1.268 4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -4.739 -0.902 3.885 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.576 -2.469 3.771 1.00 0.00 H new ATOM 111 N VAL A 11 -0.762 -2.955 5.539 1.00 0.00 N ATOM 112 CA VAL A 11 0.404 -3.351 6.357 1.00 0.00 C ATOM 113 C VAL A 11 0.802 -2.169 7.244 1.00 0.00 C ATOM 114 O VAL A 11 1.425 -1.211 6.778 1.00 0.00 O ATOM 115 CB VAL A 11 1.652 -3.741 5.541 1.00 0.00 C ATOM 116 CG1 VAL A 11 2.447 -4.751 6.360 1.00 0.00 C ATOM 117 CG2 VAL A 11 1.365 -4.314 4.147 1.00 0.00 C ATOM 0 H VAL A 11 -0.540 -2.284 4.804 1.00 0.00 H new ATOM 0 HA VAL A 11 0.090 -4.230 6.919 1.00 0.00 H new ATOM 0 HB VAL A 11 2.209 -2.823 5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.339 -5.047 5.807 1.00 0.00 H new ATOM 0 HG12 VAL A 11 2.741 -4.300 7.308 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.831 -5.630 6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.306 -4.557 3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.761 -5.216 4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.824 -3.576 3.555 1.00 0.00 H new ATOM 119 N ASP A 12 0.391 -2.240 8.500 1.00 0.00 N ATOM 120 CA ASP A 12 0.695 -1.153 9.452 1.00 0.00 C ATOM 121 C ASP A 12 1.039 -1.667 10.849 1.00 0.00 C ATOM 122 O ASP A 12 0.257 -2.374 11.491 1.00 0.00 O ATOM 123 CB ASP A 12 -0.474 -0.169 9.485 1.00 0.00 C ATOM 124 CG ASP A 12 -0.027 1.229 9.887 1.00 0.00 C ATOM 125 OD1 ASP A 12 0.311 1.394 11.082 1.00 0.00 O ATOM 126 OD2 ASP A 12 0.095 2.077 8.978 1.00 0.00 O ATOM 0 H ASP A 12 -0.144 -3.016 8.890 1.00 0.00 H new ATOM 0 HA ASP A 12 1.590 -0.638 9.102 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -0.945 -0.131 8.503 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.229 -0.525 10.187 1.00 0.00 H new ATOM 128 N ASP A 13 2.121 -1.086 11.365 1.00 0.00 N ATOM 129 CA ASP A 13 2.651 -1.387 12.705 1.00 0.00 C ATOM 130 C ASP A 13 1.707 -0.986 13.859 1.00 0.00 C ATOM 131 O ASP A 13 1.727 -1.582 14.935 1.00 0.00 O ATOM 132 CB ASP A 13 4.046 -0.756 12.856 1.00 0.00 C ATOM 133 CG ASP A 13 4.161 0.772 12.949 1.00 0.00 C ATOM 134 OD1 ASP A 13 3.174 1.461 12.616 1.00 0.00 O ATOM 135 OD2 ASP A 13 5.226 1.215 13.422 1.00 0.00 O ATOM 0 H ASP A 13 2.665 -0.384 10.863 1.00 0.00 H new ATOM 0 HA ASP A 13 2.731 -2.471 12.785 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.503 -1.176 13.752 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.649 -1.081 12.008 1.00 0.00 H new ATOM 137 N PHE A 14 0.899 0.038 13.598 1.00 0.00 N ATOM 138 CA PHE A 14 -0.085 0.531 14.570 1.00 0.00 C ATOM 139 C PHE A 14 -1.414 -0.159 14.253 1.00 0.00 C ATOM 140 O PHE A 14 -2.045 0.089 13.225 1.00 0.00 O ATOM 141 CB PHE A 14 -0.216 2.053 14.440 1.00 0.00 C ATOM 142 CG PHE A 14 -0.556 2.716 15.783 1.00 0.00 C ATOM 143 CD1 PHE A 14 0.330 2.595 16.881 1.00 0.00 C ATOM 144 CD2 PHE A 14 -1.748 3.471 15.896 1.00 0.00 C ATOM 145 CE1 PHE A 14 0.030 3.233 18.099 1.00 0.00 C ATOM 146 CE2 PHE A 14 -2.051 4.119 17.114 1.00 0.00 C ATOM 147 CZ PHE A 14 -1.169 3.986 18.205 1.00 0.00 C ATOM 0 H PHE A 14 0.904 0.549 12.715 1.00 0.00 H new ATOM 0 HA PHE A 14 0.219 0.310 15.593 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.717 2.466 14.057 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.992 2.290 13.712 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.235 2.014 16.784 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.422 3.551 15.056 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.702 3.151 18.941 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.950 4.711 17.208 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.410 4.467 19.141 1.00 0.00 H new ATOM 149 N SER A 15 -1.690 -1.163 15.082 1.00 0.00 N ATOM 150 CA SER A 15 -2.905 -2.001 15.029 1.00 0.00 C ATOM 151 C SER A 15 -4.180 -1.204 14.692 1.00 0.00 C ATOM 152 O SER A 15 -4.827 -1.471 13.681 1.00 0.00 O ATOM 153 CB SER A 15 -3.078 -2.749 16.356 1.00 0.00 C ATOM 154 OG SER A 15 -3.025 -1.820 17.446 1.00 0.00 O ATOM 0 H SER A 15 -1.059 -1.432 15.837 1.00 0.00 H new ATOM 0 HA SER A 15 -2.765 -2.712 14.215 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.030 -3.279 16.364 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.295 -3.499 16.466 1.00 0.00 H new ATOM 0 HG SER A 15 -3.138 -2.302 18.292 1.00 0.00 H new ATOM 157 N THR A 16 -4.366 -0.113 15.431 1.00 0.00 N ATOM 158 CA THR A 16 -5.485 0.836 15.274 1.00 0.00 C ATOM 159 C THR A 16 -5.480 1.531 13.911 1.00 0.00 C ATOM 160 O THR A 16 -6.534 1.658 13.277 1.00 0.00 O ATOM 161 CB THR A 16 -5.470 1.912 16.371 1.00 0.00 C ATOM 162 OG1 THR A 16 -4.394 1.701 17.285 1.00 0.00 O ATOM 163 CG2 THR A 16 -6.813 1.963 17.095 1.00 0.00 C ATOM 0 H THR A 16 -3.727 0.151 16.181 1.00 0.00 H new ATOM 0 HA THR A 16 -6.391 0.235 15.357 1.00 0.00 H new ATOM 0 HB THR A 16 -5.309 2.879 15.895 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.690 2.362 17.119 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.781 2.731 17.868 1.00 0.00 H new ATOM 0 HG22 THR A 16 -7.602 2.199 16.381 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.016 0.995 17.554 1.00 0.00 H new ATOM 166 N MET A 17 -4.291 1.883 13.412 1.00 0.00 N ATOM 167 CA MET A 17 -4.164 2.551 12.102 1.00 0.00 C ATOM 168 C MET A 17 -4.647 1.664 10.938 1.00 0.00 C ATOM 169 O MET A 17 -5.292 2.180 10.018 1.00 0.00 O ATOM 170 CB MET A 17 -2.738 3.078 11.869 1.00 0.00 C ATOM 171 CG MET A 17 -2.630 3.944 10.612 1.00 0.00 C ATOM 172 SD MET A 17 -3.805 5.337 10.575 1.00 0.00 S ATOM 173 CE MET A 17 -3.828 5.694 8.831 1.00 0.00 C ATOM 0 H MET A 17 -3.404 1.720 13.888 1.00 0.00 H new ATOM 0 HA MET A 17 -4.829 3.415 12.126 1.00 0.00 H new ATOM 0 HB2 MET A 17 -2.423 3.660 12.735 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.052 2.235 11.785 1.00 0.00 H new ATOM 0 HG2 MET A 17 -1.615 4.335 10.537 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.796 3.318 9.735 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.954 6.766 8.681 1.00 0.00 H new ATOM 0 HE2 MET A 17 -2.889 5.372 8.381 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.656 5.162 8.362 1.00 0.00 H new ATOM 175 N ARG A 18 -4.440 0.350 11.046 1.00 0.00 N ATOM 176 CA ARG A 18 -4.897 -0.606 10.014 1.00 0.00 C ATOM 177 C ARG A 18 -6.414 -0.488 9.769 1.00 0.00 C ATOM 178 O ARG A 18 -6.847 -0.248 8.632 1.00 0.00 O ATOM 179 CB ARG A 18 -4.591 -2.051 10.406 1.00 0.00 C ATOM 180 CG ARG A 18 -3.095 -2.318 10.587 1.00 0.00 C ATOM 181 CD ARG A 18 -2.787 -3.789 10.874 1.00 0.00 C ATOM 182 NE ARG A 18 -3.544 -4.256 12.051 1.00 0.00 N ATOM 183 CZ ARG A 18 -3.815 -5.521 12.353 1.00 0.00 C ATOM 184 NH1 ARG A 18 -3.360 -6.544 11.637 1.00 0.00 N ATOM 185 NH2 ARG A 18 -4.545 -5.792 13.429 1.00 0.00 N ATOM 0 H ARG A 18 -3.960 -0.084 11.834 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.353 -0.351 9.104 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.111 -2.288 11.334 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.984 -2.720 9.640 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.564 -2.009 9.687 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.718 -1.706 11.406 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.043 -4.396 10.006 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.718 -3.916 11.048 1.00 0.00 H new ATOM 0 HE ARG A 18 -3.891 -3.542 12.692 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.777 -6.374 10.818 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.594 -7.499 11.907 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -4.892 -5.032 14.015 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.759 -6.760 13.670 1.00 0.00 H new ATOM 192 N ARG A 19 -7.138 -0.361 10.883 1.00 0.00 N ATOM 193 CA ARG A 19 -8.601 -0.187 10.920 1.00 0.00 C ATOM 194 C ARG A 19 -9.063 1.087 10.186 1.00 0.00 C ATOM 195 O ARG A 19 -9.981 1.029 9.373 1.00 0.00 O ATOM 196 CB ARG A 19 -9.033 -0.201 12.400 1.00 0.00 C ATOM 197 CG ARG A 19 -10.516 0.071 12.615 1.00 0.00 C ATOM 198 CD ARG A 19 -11.416 -1.013 11.999 1.00 0.00 C ATOM 199 NE ARG A 19 -12.765 -0.468 11.815 1.00 0.00 N ATOM 200 CZ ARG A 19 -13.654 -0.154 12.768 1.00 0.00 C ATOM 201 NH1 ARG A 19 -13.496 -0.508 14.034 1.00 0.00 N ATOM 202 NH2 ARG A 19 -14.796 0.403 12.403 1.00 0.00 N ATOM 0 H ARG A 19 -6.717 -0.376 11.812 1.00 0.00 H new ATOM 0 HA ARG A 19 -9.083 -1.004 10.384 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.786 -1.171 12.831 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.455 0.546 12.944 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.717 0.139 13.684 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.770 1.038 12.181 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.009 -1.341 11.042 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.449 -1.888 12.648 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.061 -0.310 10.852 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -12.673 -1.041 14.316 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.197 -0.248 14.728 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.983 0.584 11.417 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -15.490 0.652 13.108 1.00 0.00 H new ATOM 209 N ILE A 20 -8.359 2.195 10.409 1.00 0.00 N ATOM 210 CA ILE A 20 -8.683 3.503 9.775 1.00 0.00 C ATOM 211 C ILE A 20 -8.609 3.384 8.238 1.00 0.00 C ATOM 212 O ILE A 20 -9.609 3.635 7.565 1.00 0.00 O ATOM 213 CB ILE A 20 -7.809 4.638 10.325 1.00 0.00 C ATOM 214 CG1 ILE A 20 -7.986 4.730 11.854 1.00 0.00 C ATOM 215 CG2 ILE A 20 -8.176 5.982 9.675 1.00 0.00 C ATOM 216 CD1 ILE A 20 -6.906 5.565 12.570 1.00 0.00 C ATOM 0 H ILE A 20 -7.549 2.228 11.028 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.708 3.768 10.035 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.768 4.419 10.088 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.964 5.161 12.069 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -7.984 3.722 12.269 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -7.541 6.769 10.083 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.027 5.918 8.597 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.220 6.214 9.883 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.107 5.577 13.641 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.926 5.124 12.389 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.921 6.585 12.186 1.00 0.00 H new ATOM 218 N VAL A 21 -7.492 2.857 7.738 1.00 0.00 N ATOM 219 CA VAL A 21 -7.275 2.677 6.278 1.00 0.00 C ATOM 220 C VAL A 21 -8.398 1.792 5.705 1.00 0.00 C ATOM 221 O VAL A 21 -9.065 2.201 4.746 1.00 0.00 O ATOM 222 CB VAL A 21 -5.897 2.052 5.956 1.00 0.00 C ATOM 223 CG1 VAL A 21 -5.576 2.228 4.474 1.00 0.00 C ATOM 224 CG2 VAL A 21 -4.739 2.653 6.749 1.00 0.00 C ATOM 0 H VAL A 21 -6.712 2.542 8.315 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.293 3.664 5.816 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.987 1.002 6.236 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.604 1.785 4.257 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.341 1.735 3.875 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.553 3.290 4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.809 2.160 6.465 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.665 3.719 6.534 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.915 2.509 7.815 1.00 0.00 H new ATOM 226 N ARG A 22 -8.717 0.702 6.423 1.00 0.00 N ATOM 227 CA ARG A 22 -9.806 -0.234 6.065 1.00 0.00 C ATOM 228 C ARG A 22 -11.157 0.503 5.907 1.00 0.00 C ATOM 229 O ARG A 22 -11.738 0.468 4.829 1.00 0.00 O ATOM 230 CB ARG A 22 -9.848 -1.343 7.129 1.00 0.00 C ATOM 231 CG ARG A 22 -11.000 -2.336 6.936 1.00 0.00 C ATOM 232 CD ARG A 22 -11.111 -3.338 8.078 1.00 0.00 C ATOM 233 NE ARG A 22 -10.221 -4.504 7.908 1.00 0.00 N ATOM 234 CZ ARG A 22 -10.428 -5.549 7.104 1.00 0.00 C ATOM 235 NH1 ARG A 22 -11.484 -5.624 6.296 1.00 0.00 N ATOM 236 NH2 ARG A 22 -9.731 -6.662 7.261 1.00 0.00 N ATOM 0 H ARG A 22 -8.224 0.440 7.277 1.00 0.00 H new ATOM 0 HA ARG A 22 -9.613 -0.687 5.093 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.904 -1.887 7.112 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.935 -0.886 8.115 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -11.937 -1.786 6.848 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.857 -2.874 5.999 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.872 -2.839 9.017 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.142 -3.682 8.153 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.363 -4.512 8.460 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.167 -4.867 6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.610 -6.439 5.695 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.031 -6.725 8.000 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.894 -7.457 6.643 1.00 0.00 H new ATOM 243 N ASN A 23 -11.528 1.275 6.926 1.00 0.00 N ATOM 244 CA ASN A 23 -12.775 2.079 6.930 1.00 0.00 C ATOM 245 C ASN A 23 -12.876 3.043 5.729 1.00 0.00 C ATOM 246 O ASN A 23 -13.867 3.039 5.004 1.00 0.00 O ATOM 247 CB ASN A 23 -12.922 2.874 8.242 1.00 0.00 C ATOM 248 CG ASN A 23 -13.189 1.990 9.469 1.00 0.00 C ATOM 249 OD1 ASN A 23 -13.678 0.871 9.392 1.00 0.00 O ATOM 250 ND2 ASN A 23 -12.873 2.487 10.640 1.00 0.00 N ATOM 0 H ASN A 23 -10.979 1.369 7.781 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.590 1.361 6.845 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.013 3.451 8.411 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -13.738 3.589 8.135 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -13.035 1.941 11.486 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -12.465 3.420 10.705 1.00 0.00 H new ATOM 254 N LEU A 24 -11.767 3.719 5.462 1.00 0.00 N ATOM 255 CA LEU A 24 -11.629 4.667 4.330 1.00 0.00 C ATOM 256 C LEU A 24 -11.880 3.972 2.977 1.00 0.00 C ATOM 257 O LEU A 24 -12.744 4.384 2.213 1.00 0.00 O ATOM 258 CB LEU A 24 -10.208 5.249 4.377 1.00 0.00 C ATOM 259 CG LEU A 24 -9.984 6.183 5.576 1.00 0.00 C ATOM 260 CD1 LEU A 24 -8.558 6.732 5.562 1.00 0.00 C ATOM 261 CD2 LEU A 24 -10.966 7.355 5.659 1.00 0.00 C ATOM 0 H LEU A 24 -10.920 3.634 6.023 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.373 5.458 4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.487 4.432 4.420 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.015 5.797 3.455 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.159 5.565 6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -8.414 7.392 6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.849 5.906 5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -8.392 7.290 4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.735 7.962 6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.880 7.966 4.761 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.983 6.972 5.741 1.00 0.00 H new ATOM 263 N LEU A 25 -11.150 2.873 2.773 1.00 0.00 N ATOM 264 CA LEU A 25 -11.282 2.015 1.572 1.00 0.00 C ATOM 265 C LEU A 25 -12.720 1.545 1.342 1.00 0.00 C ATOM 266 O LEU A 25 -13.308 1.797 0.286 1.00 0.00 O ATOM 267 CB LEU A 25 -10.369 0.786 1.674 1.00 0.00 C ATOM 268 CG LEU A 25 -8.909 1.197 1.638 1.00 0.00 C ATOM 269 CD1 LEU A 25 -8.008 0.082 2.160 1.00 0.00 C ATOM 270 CD2 LEU A 25 -8.458 1.615 0.225 1.00 0.00 C ATOM 0 H LEU A 25 -10.445 2.544 3.433 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.984 2.632 0.724 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.578 0.248 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.579 0.101 0.852 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.815 2.064 2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.968 0.407 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.278 -0.151 3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.134 -0.807 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.406 1.901 0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.592 0.779 -0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -9.057 2.461 -0.113 1.00 0.00 H new ATOM 272 N LYS A 26 -13.312 1.036 2.424 1.00 0.00 N ATOM 273 CA LYS A 26 -14.699 0.547 2.493 1.00 0.00 C ATOM 274 C LYS A 26 -15.692 1.607 1.966 1.00 0.00 C ATOM 275 O LYS A 26 -16.393 1.364 0.981 1.00 0.00 O ATOM 276 CB LYS A 26 -14.948 0.173 3.958 1.00 0.00 C ATOM 277 CG LYS A 26 -16.342 -0.359 4.277 1.00 0.00 C ATOM 278 CD LYS A 26 -16.432 -0.944 5.690 1.00 0.00 C ATOM 279 CE LYS A 26 -15.583 -2.203 5.864 1.00 0.00 C ATOM 280 NZ LYS A 26 -16.072 -3.279 4.992 1.00 0.00 N ATOM 0 H LYS A 26 -12.822 0.948 3.314 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.853 -0.323 1.855 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -14.216 -0.580 4.251 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -14.765 1.053 4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -17.069 0.447 4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -16.611 -1.126 3.551 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.111 -0.192 6.411 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.472 -1.178 5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.542 -1.982 5.629 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.613 -2.528 6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.650 -4.183 5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -17.108 -3.341 5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.805 -3.076 4.007 1.00 0.00 H new ATOM 285 N GLU A 27 -15.512 2.829 2.471 1.00 0.00 N ATOM 286 CA GLU A 27 -16.286 4.031 2.124 1.00 0.00 C ATOM 287 C GLU A 27 -16.244 4.393 0.629 1.00 0.00 C ATOM 288 O GLU A 27 -17.257 4.782 0.054 1.00 0.00 O ATOM 289 CB GLU A 27 -15.691 5.145 2.982 1.00 0.00 C ATOM 290 CG GLU A 27 -16.176 5.110 4.433 1.00 0.00 C ATOM 291 CD GLU A 27 -15.506 6.207 5.257 1.00 0.00 C ATOM 292 OE1 GLU A 27 -16.107 7.302 5.316 1.00 0.00 O ATOM 293 OE2 GLU A 27 -14.441 5.923 5.856 1.00 0.00 O ATOM 0 H GLU A 27 -14.790 3.020 3.166 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.345 3.865 2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -14.604 5.066 2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -15.947 6.109 2.543 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -17.258 5.237 4.462 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -15.957 4.136 4.871 1.00 0.00 H new ATOM 295 N LEU A 28 -15.068 4.222 0.020 1.00 0.00 N ATOM 296 CA LEU A 28 -14.812 4.473 -1.417 1.00 0.00 C ATOM 297 C LEU A 28 -15.410 3.406 -2.362 1.00 0.00 C ATOM 298 O LEU A 28 -15.444 3.585 -3.574 1.00 0.00 O ATOM 299 CB LEU A 28 -13.294 4.478 -1.659 1.00 0.00 C ATOM 300 CG LEU A 28 -12.518 5.487 -0.801 1.00 0.00 C ATOM 301 CD1 LEU A 28 -11.024 5.164 -0.851 1.00 0.00 C ATOM 302 CD2 LEU A 28 -12.787 6.934 -1.200 1.00 0.00 C ATOM 0 H LEU A 28 -14.240 3.897 0.518 1.00 0.00 H new ATOM 0 HA LEU A 28 -15.289 5.427 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -12.904 3.479 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -13.107 4.694 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 28 -12.873 5.390 0.225 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.476 5.882 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.856 4.158 -0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.674 5.221 -1.882 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.211 7.601 -0.559 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.493 7.086 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.849 7.151 -1.088 1.00 0.00 H new ATOM 304 N GLY A 29 -15.763 2.265 -1.776 1.00 0.00 N ATOM 305 CA GLY A 29 -16.304 1.083 -2.488 1.00 0.00 C ATOM 306 C GLY A 29 -15.378 -0.142 -2.400 1.00 0.00 C ATOM 307 O GLY A 29 -15.828 -1.265 -2.624 1.00 0.00 O ATOM 0 H GLY A 29 -15.684 2.121 -0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.278 0.827 -2.070 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -16.464 1.337 -3.536 1.00 0.00 H new ATOM 309 N PHE A 30 -14.179 0.077 -1.865 1.00 0.00 N ATOM 310 CA PHE A 30 -13.136 -0.953 -1.720 1.00 0.00 C ATOM 311 C PHE A 30 -13.246 -1.688 -0.371 1.00 0.00 C ATOM 312 O PHE A 30 -12.460 -1.534 0.557 1.00 0.00 O ATOM 313 CB PHE A 30 -11.761 -0.304 -1.896 1.00 0.00 C ATOM 314 CG PHE A 30 -11.545 0.450 -3.209 1.00 0.00 C ATOM 315 CD1 PHE A 30 -11.591 -0.230 -4.459 1.00 0.00 C ATOM 316 CD2 PHE A 30 -11.191 1.817 -3.147 1.00 0.00 C ATOM 317 CE1 PHE A 30 -11.280 0.469 -5.641 1.00 0.00 C ATOM 318 CE2 PHE A 30 -10.880 2.516 -4.342 1.00 0.00 C ATOM 319 CZ PHE A 30 -10.926 1.837 -5.578 1.00 0.00 C ATOM 0 H PHE A 30 -13.893 0.990 -1.512 1.00 0.00 H new ATOM 0 HA PHE A 30 -13.275 -1.708 -2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -11.598 0.388 -1.070 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -11.000 -1.081 -1.815 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -11.862 -1.275 -4.500 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.157 2.327 -2.195 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.312 -0.038 -6.594 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.610 3.561 -4.306 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.688 2.369 -6.487 1.00 0.00 H new ATOM 321 N ASN A 31 -14.269 -2.537 -0.342 1.00 0.00 N ATOM 322 CA ASN A 31 -14.622 -3.370 0.831 1.00 0.00 C ATOM 323 C ASN A 31 -13.733 -4.599 1.082 1.00 0.00 C ATOM 324 O ASN A 31 -13.678 -5.105 2.204 1.00 0.00 O ATOM 325 CB ASN A 31 -16.094 -3.793 0.711 1.00 0.00 C ATOM 326 CG ASN A 31 -17.042 -2.611 0.958 1.00 0.00 C ATOM 327 OD1 ASN A 31 -17.536 -2.391 2.050 1.00 0.00 O ATOM 328 ND2 ASN A 31 -17.360 -1.855 -0.075 1.00 0.00 N ATOM 0 H ASN A 31 -14.892 -2.677 -1.137 1.00 0.00 H new ATOM 0 HA ASN A 31 -14.447 -2.738 1.702 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.275 -4.205 -0.282 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -16.305 -4.586 1.428 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.020 -1.086 0.040 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.946 -2.040 -0.989 1.00 0.00 H new ATOM 332 N ASN A 32 -12.932 -4.980 0.080 1.00 0.00 N ATOM 333 CA ASN A 32 -12.052 -6.159 0.151 1.00 0.00 C ATOM 334 C ASN A 32 -10.665 -5.755 0.667 1.00 0.00 C ATOM 335 O ASN A 32 -9.806 -5.259 -0.064 1.00 0.00 O ATOM 336 CB ASN A 32 -11.999 -6.820 -1.226 1.00 0.00 C ATOM 337 CG ASN A 32 -11.457 -8.252 -1.198 1.00 0.00 C ATOM 338 OD1 ASN A 32 -11.027 -8.798 -0.195 1.00 0.00 O ATOM 339 ND2 ASN A 32 -11.508 -8.917 -2.336 1.00 0.00 N ATOM 0 H ASN A 32 -12.874 -4.480 -0.807 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.446 -6.888 0.859 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -13.001 -6.828 -1.655 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.375 -6.217 -1.886 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -11.189 -9.885 -2.376 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.867 -8.463 -3.176 1.00 0.00 H new ATOM 343 N VAL A 33 -10.506 -5.883 1.985 1.00 0.00 N ATOM 344 CA VAL A 33 -9.278 -5.516 2.705 1.00 0.00 C ATOM 345 C VAL A 33 -8.839 -6.625 3.678 1.00 0.00 C ATOM 346 O VAL A 33 -9.673 -7.334 4.256 1.00 0.00 O ATOM 347 CB VAL A 33 -9.483 -4.186 3.467 1.00 0.00 C ATOM 348 CG1 VAL A 33 -8.209 -3.698 4.153 1.00 0.00 C ATOM 349 CG2 VAL A 33 -9.978 -3.051 2.562 1.00 0.00 C ATOM 0 H VAL A 33 -11.236 -6.250 2.595 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.485 -5.388 1.968 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.242 -4.421 4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -8.411 -2.761 4.672 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.873 -4.446 4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.432 -3.538 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.103 -2.143 3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -9.249 -2.872 1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -10.934 -3.330 2.118 1.00 0.00 H new ATOM 351 N GLU A 34 -7.528 -6.839 3.740 1.00 0.00 N ATOM 352 CA GLU A 34 -6.859 -7.772 4.659 1.00 0.00 C ATOM 353 C GLU A 34 -5.785 -6.939 5.368 1.00 0.00 C ATOM 354 O GLU A 34 -5.301 -5.930 4.827 1.00 0.00 O ATOM 355 CB GLU A 34 -6.255 -8.917 3.839 1.00 0.00 C ATOM 356 CG GLU A 34 -6.559 -10.318 4.409 1.00 0.00 C ATOM 357 CD GLU A 34 -5.593 -10.804 5.490 1.00 0.00 C ATOM 358 OE1 GLU A 34 -5.474 -10.120 6.529 1.00 0.00 O ATOM 359 OE2 GLU A 34 -5.070 -11.934 5.318 1.00 0.00 O ATOM 0 H GLU A 34 -6.872 -6.351 3.130 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.530 -8.223 5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.634 -8.860 2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.175 -8.783 3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.568 -10.314 4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.552 -11.036 3.589 1.00 0.00 H new ATOM 361 N GLU A 35 -5.433 -7.332 6.583 1.00 0.00 N ATOM 362 CA GLU A 35 -4.436 -6.577 7.365 1.00 0.00 C ATOM 363 C GLU A 35 -3.258 -7.378 7.905 1.00 0.00 C ATOM 364 O GLU A 35 -3.393 -8.498 8.394 1.00 0.00 O ATOM 365 CB GLU A 35 -5.129 -5.892 8.559 1.00 0.00 C ATOM 366 CG GLU A 35 -6.238 -4.908 8.182 1.00 0.00 C ATOM 367 CD GLU A 35 -7.129 -4.592 9.390 1.00 0.00 C ATOM 368 OE1 GLU A 35 -7.575 -5.561 10.037 1.00 0.00 O ATOM 369 OE2 GLU A 35 -7.442 -3.397 9.569 1.00 0.00 O ATOM 0 H GLU A 35 -5.810 -8.155 7.053 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.016 -5.869 6.650 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.550 -6.661 9.206 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.376 -5.362 9.142 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.797 -3.987 7.800 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.844 -5.328 7.379 1.00 0.00 H new ATOM 371 N ALA A 36 -2.123 -6.692 7.850 1.00 0.00 N ATOM 372 CA ALA A 36 -0.806 -7.170 8.307 1.00 0.00 C ATOM 373 C ALA A 36 -0.161 -6.089 9.188 1.00 0.00 C ATOM 374 O ALA A 36 -0.425 -4.906 9.014 1.00 0.00 O ATOM 375 CB ALA A 36 0.068 -7.461 7.090 1.00 0.00 C ATOM 0 H ALA A 36 -2.084 -5.746 7.471 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.914 -8.084 8.890 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.045 -7.815 7.420 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.407 -8.226 6.475 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.191 -6.550 6.504 1.00 0.00 H new ATOM 377 N GLU A 37 0.781 -6.491 10.030 1.00 0.00 N ATOM 378 CA GLU A 37 1.434 -5.533 10.953 1.00 0.00 C ATOM 379 C GLU A 37 2.879 -5.079 10.632 1.00 0.00 C ATOM 380 O GLU A 37 3.335 -4.057 11.116 1.00 0.00 O ATOM 381 CB GLU A 37 1.208 -5.909 12.425 1.00 0.00 C ATOM 382 CG GLU A 37 1.782 -7.264 12.874 1.00 0.00 C ATOM 383 CD GLU A 37 3.248 -7.157 13.292 1.00 0.00 C ATOM 384 OE1 GLU A 37 3.481 -6.807 14.469 1.00 0.00 O ATOM 385 OE2 GLU A 37 4.099 -7.449 12.421 1.00 0.00 O ATOM 0 H GLU A 37 1.115 -7.452 10.104 1.00 0.00 H new ATOM 0 HA GLU A 37 0.898 -4.605 10.754 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.643 -5.128 13.049 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.135 -5.910 12.618 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.195 -7.648 13.708 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.689 -7.984 12.061 1.00 0.00 H new ATOM 387 N ASP A 38 3.571 -5.822 9.773 1.00 0.00 N ATOM 388 CA ASP A 38 4.948 -5.493 9.364 1.00 0.00 C ATOM 389 C ASP A 38 5.261 -6.144 8.012 1.00 0.00 C ATOM 390 O ASP A 38 4.553 -7.073 7.611 1.00 0.00 O ATOM 391 CB ASP A 38 5.990 -5.878 10.434 1.00 0.00 C ATOM 392 CG ASP A 38 6.520 -7.318 10.377 1.00 0.00 C ATOM 393 OD1 ASP A 38 5.681 -8.239 10.221 1.00 0.00 O ATOM 394 OD2 ASP A 38 7.745 -7.459 10.193 1.00 0.00 O ATOM 0 H ASP A 38 3.202 -6.667 9.338 1.00 0.00 H new ATOM 0 HA ASP A 38 5.014 -4.410 9.256 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.837 -5.198 10.348 1.00 0.00 H new ATOM 0 HB3 ASP A 38 5.548 -5.714 11.417 1.00 0.00 H new ATOM 396 N GLY A 39 6.381 -5.748 7.419 1.00 0.00 N ATOM 397 CA GLY A 39 6.878 -6.265 6.128 1.00 0.00 C ATOM 398 C GLY A 39 6.808 -7.790 5.979 1.00 0.00 C ATOM 399 O GLY A 39 6.070 -8.305 5.133 1.00 0.00 O ATOM 0 H GLY A 39 6.992 -5.040 7.825 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.302 -5.808 5.323 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.913 -5.948 5.999 1.00 0.00 H new ATOM 401 N VAL A 40 7.417 -8.498 6.936 1.00 0.00 N ATOM 402 CA VAL A 40 7.437 -9.981 6.943 1.00 0.00 C ATOM 403 C VAL A 40 6.005 -10.556 6.916 1.00 0.00 C ATOM 404 O VAL A 40 5.614 -11.155 5.925 1.00 0.00 O ATOM 405 CB VAL A 40 8.218 -10.560 8.145 1.00 0.00 C ATOM 406 CG1 VAL A 40 8.411 -12.066 7.957 1.00 0.00 C ATOM 407 CG2 VAL A 40 9.610 -9.919 8.309 1.00 0.00 C ATOM 0 H VAL A 40 7.907 -8.074 7.723 1.00 0.00 H new ATOM 0 HA VAL A 40 7.961 -10.284 6.036 1.00 0.00 H new ATOM 0 HB VAL A 40 7.630 -10.342 9.036 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.962 -12.471 8.806 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.438 -12.552 7.891 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.971 -12.249 7.040 1.00 0.00 H new ATOM 0 HG21 VAL A 40 10.116 -10.362 9.167 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.200 -10.095 7.410 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.500 -8.846 8.466 1.00 0.00 H new ATOM 409 N ASP A 41 5.191 -10.160 7.895 1.00 0.00 N ATOM 410 CA ASP A 41 3.786 -10.598 8.033 1.00 0.00 C ATOM 411 C ASP A 41 2.966 -10.390 6.741 1.00 0.00 C ATOM 412 O ASP A 41 2.180 -11.249 6.357 1.00 0.00 O ATOM 413 CB ASP A 41 3.179 -9.839 9.218 1.00 0.00 C ATOM 414 CG ASP A 41 1.785 -10.311 9.654 1.00 0.00 C ATOM 415 OD1 ASP A 41 1.602 -11.529 9.829 1.00 0.00 O ATOM 416 OD2 ASP A 41 0.988 -9.381 9.943 1.00 0.00 O ATOM 0 H ASP A 41 5.486 -9.516 8.629 1.00 0.00 H new ATOM 0 HA ASP A 41 3.759 -11.672 8.215 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.856 -9.924 10.068 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.122 -8.781 8.960 1.00 0.00 H new ATOM 418 N ALA A 42 3.269 -9.295 6.036 1.00 0.00 N ATOM 419 CA ALA A 42 2.621 -8.938 4.755 1.00 0.00 C ATOM 420 C ALA A 42 3.000 -9.895 3.617 1.00 0.00 C ATOM 421 O ALA A 42 2.091 -10.480 3.027 1.00 0.00 O ATOM 422 CB ALA A 42 3.026 -7.524 4.356 1.00 0.00 C ATOM 0 H ALA A 42 3.975 -8.622 6.335 1.00 0.00 H new ATOM 0 HA ALA A 42 1.545 -9.009 4.911 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.548 -7.261 3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.711 -6.823 5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.109 -7.474 4.241 1.00 0.00 H new ATOM 424 N LEU A 43 4.296 -10.108 3.381 1.00 0.00 N ATOM 425 CA LEU A 43 4.782 -11.032 2.329 1.00 0.00 C ATOM 426 C LEU A 43 4.145 -12.427 2.468 1.00 0.00 C ATOM 427 O LEU A 43 3.657 -12.987 1.494 1.00 0.00 O ATOM 428 CB LEU A 43 6.304 -11.182 2.342 1.00 0.00 C ATOM 429 CG LEU A 43 7.037 -9.990 1.725 1.00 0.00 C ATOM 430 CD1 LEU A 43 8.508 -10.042 2.129 1.00 0.00 C ATOM 431 CD2 LEU A 43 6.917 -9.924 0.198 1.00 0.00 C ATOM 0 H LEU A 43 5.043 -9.652 3.905 1.00 0.00 H new ATOM 0 HA LEU A 43 4.484 -10.585 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.640 -11.313 3.371 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.577 -12.087 1.800 1.00 0.00 H new ATOM 0 HG LEU A 43 6.561 -9.088 2.109 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.036 -9.194 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.589 -9.999 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.952 -10.970 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.460 -9.055 -0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.339 -10.829 -0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.867 -9.842 -0.081 1.00 0.00 H new ATOM 433 N ASN A 44 4.074 -12.876 3.727 1.00 0.00 N ATOM 434 CA ASN A 44 3.457 -14.142 4.151 1.00 0.00 C ATOM 435 C ASN A 44 1.996 -14.218 3.675 1.00 0.00 C ATOM 436 O ASN A 44 1.638 -15.053 2.844 1.00 0.00 O ATOM 437 CB ASN A 44 3.548 -14.229 5.686 1.00 0.00 C ATOM 438 CG ASN A 44 4.984 -14.372 6.213 1.00 0.00 C ATOM 439 OD1 ASN A 44 5.967 -13.929 5.644 1.00 0.00 O ATOM 440 ND2 ASN A 44 5.122 -14.941 7.397 1.00 0.00 N ATOM 0 H ASN A 44 4.459 -12.348 4.510 1.00 0.00 H new ATOM 0 HA ASN A 44 3.984 -14.986 3.705 1.00 0.00 H new ATOM 0 HB2 ASN A 44 3.099 -13.335 6.119 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.958 -15.080 6.028 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.045 -15.007 7.827 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.306 -15.315 7.881 1.00 0.00 H new ATOM 444 N LYS A 45 1.220 -13.221 4.089 1.00 0.00 N ATOM 445 CA LYS A 45 -0.202 -13.032 3.729 1.00 0.00 C ATOM 446 C LYS A 45 -0.434 -12.910 2.211 1.00 0.00 C ATOM 447 O LYS A 45 -1.305 -13.575 1.660 1.00 0.00 O ATOM 448 CB LYS A 45 -0.730 -11.809 4.490 1.00 0.00 C ATOM 449 CG LYS A 45 -1.055 -12.201 5.933 1.00 0.00 C ATOM 450 CD LYS A 45 -1.364 -10.979 6.791 1.00 0.00 C ATOM 451 CE LYS A 45 -1.589 -11.355 8.263 1.00 0.00 C ATOM 452 NZ LYS A 45 -2.959 -11.852 8.460 1.00 0.00 N ATOM 0 H LYS A 45 1.567 -12.489 4.708 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.757 -13.923 4.022 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.014 -11.012 4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.622 -11.420 3.999 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.909 -12.879 5.943 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.212 -12.744 6.362 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.541 -10.268 6.720 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.252 -10.479 6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.871 -12.118 8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.415 -10.486 8.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.097 -12.102 9.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.639 -11.112 8.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.111 -12.693 7.868 1.00 0.00 H new ATOM 457 N LEU A 46 0.445 -12.158 1.547 1.00 0.00 N ATOM 458 CA LEU A 46 0.411 -11.918 0.084 1.00 0.00 C ATOM 459 C LEU A 46 0.524 -13.180 -0.789 1.00 0.00 C ATOM 460 O LEU A 46 -0.141 -13.253 -1.817 1.00 0.00 O ATOM 461 CB LEU A 46 1.477 -10.893 -0.335 1.00 0.00 C ATOM 462 CG LEU A 46 1.097 -9.474 0.101 1.00 0.00 C ATOM 463 CD1 LEU A 46 2.310 -8.548 0.009 1.00 0.00 C ATOM 464 CD2 LEU A 46 -0.068 -8.918 -0.724 1.00 0.00 C ATOM 0 H LEU A 46 1.220 -11.684 2.011 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.587 -11.520 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.437 -11.165 0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.603 -10.920 -1.417 1.00 0.00 H new ATOM 0 HG LEU A 46 0.767 -9.524 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.025 -7.543 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 46 3.102 -8.920 0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.669 -8.520 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.307 -7.910 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.213 -8.888 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.941 -9.559 -0.599 1.00 0.00 H new ATOM 466 N GLN A 47 1.261 -14.176 -0.305 1.00 0.00 N ATOM 467 CA GLN A 47 1.475 -15.467 -1.005 1.00 0.00 C ATOM 468 C GLN A 47 0.178 -16.204 -1.390 1.00 0.00 C ATOM 469 O GLN A 47 0.151 -16.957 -2.360 1.00 0.00 O ATOM 470 CB GLN A 47 2.369 -16.420 -0.201 1.00 0.00 C ATOM 471 CG GLN A 47 3.780 -15.893 0.090 1.00 0.00 C ATOM 472 CD GLN A 47 4.544 -15.426 -1.151 1.00 0.00 C ATOM 473 OE1 GLN A 47 4.800 -16.130 -2.104 1.00 0.00 O ATOM 474 NE2 GLN A 47 4.963 -14.175 -1.117 1.00 0.00 N ATOM 0 H GLN A 47 1.738 -14.122 0.595 1.00 0.00 H new ATOM 0 HA GLN A 47 1.975 -15.182 -1.930 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.878 -16.643 0.746 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.454 -17.361 -0.745 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.708 -15.062 0.792 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.354 -16.678 0.582 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.745 -13.586 -0.313 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.504 -13.797 -1.895 1.00 0.00 H new ATOM 478 N ALA A 48 -0.885 -15.952 -0.635 1.00 0.00 N ATOM 479 CA ALA A 48 -2.232 -16.528 -0.865 1.00 0.00 C ATOM 480 C ALA A 48 -2.903 -16.086 -2.186 1.00 0.00 C ATOM 481 O ALA A 48 -3.864 -16.714 -2.627 1.00 0.00 O ATOM 482 CB ALA A 48 -3.123 -16.149 0.319 1.00 0.00 C ATOM 0 H ALA A 48 -0.848 -15.331 0.173 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.105 -17.607 -0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.120 -16.563 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.697 -16.550 1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.188 -15.063 0.393 1.00 0.00 H new ATOM 484 N GLY A 49 -2.368 -15.030 -2.807 1.00 0.00 N ATOM 485 CA GLY A 49 -2.892 -14.457 -4.061 1.00 0.00 C ATOM 486 C GLY A 49 -4.186 -13.647 -3.846 1.00 0.00 C ATOM 487 O GLY A 49 -4.569 -13.321 -2.714 1.00 0.00 O ATOM 0 H GLY A 49 -1.548 -14.539 -2.452 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.134 -13.813 -4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.085 -15.261 -4.771 1.00 0.00 H new ATOM 489 N GLY A 50 -4.725 -13.156 -4.955 1.00 0.00 N ATOM 490 CA GLY A 50 -5.958 -12.348 -4.979 1.00 0.00 C ATOM 491 C GLY A 50 -5.708 -10.842 -4.791 1.00 0.00 C ATOM 492 O GLY A 50 -6.446 -10.010 -5.339 1.00 0.00 O ATOM 0 H GLY A 50 -4.320 -13.304 -5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.469 -12.508 -5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.628 -12.698 -4.193 1.00 0.00 H new ATOM 494 N TYR A 51 -4.691 -10.516 -4.002 1.00 0.00 N ATOM 495 CA TYR A 51 -4.285 -9.128 -3.713 1.00 0.00 C ATOM 496 C TYR A 51 -3.682 -8.442 -4.945 1.00 0.00 C ATOM 497 O TYR A 51 -2.721 -8.934 -5.528 1.00 0.00 O ATOM 498 CB TYR A 51 -3.228 -9.058 -2.607 1.00 0.00 C ATOM 499 CG TYR A 51 -3.623 -9.794 -1.334 1.00 0.00 C ATOM 500 CD1 TYR A 51 -4.311 -9.084 -0.324 1.00 0.00 C ATOM 501 CD2 TYR A 51 -3.149 -11.102 -1.136 1.00 0.00 C ATOM 502 CE1 TYR A 51 -4.480 -9.696 0.933 1.00 0.00 C ATOM 503 CE2 TYR A 51 -3.318 -11.714 0.121 1.00 0.00 C ATOM 504 CZ TYR A 51 -3.959 -10.986 1.152 1.00 0.00 C ATOM 505 OH TYR A 51 -3.910 -11.476 2.415 1.00 0.00 O ATOM 0 H TYR A 51 -4.111 -11.212 -3.534 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.198 -8.622 -3.400 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.294 -9.476 -2.983 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.035 -8.012 -2.367 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.699 -8.094 -0.512 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -2.660 -11.633 -1.940 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.005 -9.180 1.723 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.965 -12.720 0.295 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.526 -12.378 2.401 1.00 0.00 H new ATOM 508 N GLY A 52 -4.316 -7.338 -5.285 1.00 0.00 N ATOM 509 CA GLY A 52 -3.914 -6.475 -6.416 1.00 0.00 C ATOM 510 C GLY A 52 -3.558 -5.054 -5.966 1.00 0.00 C ATOM 511 O GLY A 52 -3.806 -4.119 -6.723 1.00 0.00 O ATOM 0 H GLY A 52 -5.138 -6.996 -4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.057 -6.919 -6.922 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.725 -6.431 -7.143 1.00 0.00 H new ATOM 513 N PHE A 53 -3.177 -4.923 -4.698 1.00 0.00 N ATOM 514 CA PHE A 53 -2.776 -3.646 -4.064 1.00 0.00 C ATOM 515 C PHE A 53 -2.252 -3.869 -2.636 1.00 0.00 C ATOM 516 O PHE A 53 -2.884 -4.534 -1.809 1.00 0.00 O ATOM 517 CB PHE A 53 -3.953 -2.684 -3.975 1.00 0.00 C ATOM 518 CG PHE A 53 -3.562 -1.253 -4.368 1.00 0.00 C ATOM 519 CD1 PHE A 53 -2.642 -0.515 -3.593 1.00 0.00 C ATOM 520 CD2 PHE A 53 -4.109 -0.716 -5.557 1.00 0.00 C ATOM 521 CE1 PHE A 53 -2.242 0.768 -4.022 1.00 0.00 C ATOM 522 CE2 PHE A 53 -3.726 0.572 -5.986 1.00 0.00 C ATOM 523 CZ PHE A 53 -2.786 1.295 -5.210 1.00 0.00 C ATOM 0 H PHE A 53 -3.134 -5.715 -4.057 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.989 -3.226 -4.690 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -4.755 -3.032 -4.627 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -4.345 -2.686 -2.958 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.247 -0.930 -2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -4.818 -1.291 -6.135 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.528 1.339 -3.447 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.141 0.998 -6.887 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.478 2.277 -5.538 1.00 0.00 H new ATOM 525 N VAL A 54 -1.122 -3.232 -2.369 1.00 0.00 N ATOM 526 CA VAL A 54 -0.454 -3.292 -1.052 1.00 0.00 C ATOM 527 C VAL A 54 -0.309 -1.848 -0.530 1.00 0.00 C ATOM 528 O VAL A 54 0.248 -0.979 -1.198 1.00 0.00 O ATOM 529 CB VAL A 54 0.917 -4.003 -1.150 1.00 0.00 C ATOM 530 CG1 VAL A 54 1.545 -4.181 0.236 1.00 0.00 C ATOM 531 CG2 VAL A 54 0.797 -5.391 -1.788 1.00 0.00 C ATOM 0 H VAL A 54 -0.631 -2.655 -3.052 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.052 -3.878 -0.354 1.00 0.00 H new ATOM 0 HB VAL A 54 1.544 -3.366 -1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.507 -4.683 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.691 -3.204 0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.884 -4.782 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.782 -5.855 -1.838 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.133 -6.012 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.390 -5.295 -2.795 1.00 0.00 H new ATOM 533 N ILE A 55 -0.869 -1.636 0.654 1.00 0.00 N ATOM 534 CA ILE A 55 -0.822 -0.336 1.351 1.00 0.00 C ATOM 535 C ILE A 55 0.089 -0.547 2.574 1.00 0.00 C ATOM 536 O ILE A 55 -0.324 -1.133 3.578 1.00 0.00 O ATOM 537 CB ILE A 55 -2.259 0.141 1.700 1.00 0.00 C ATOM 538 CG1 ILE A 55 -3.099 0.365 0.435 1.00 0.00 C ATOM 539 CG2 ILE A 55 -2.182 1.419 2.562 1.00 0.00 C ATOM 540 CD1 ILE A 55 -4.577 0.622 0.737 1.00 0.00 C ATOM 0 H ILE A 55 -1.373 -2.358 1.169 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.411 0.464 0.736 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.759 -0.639 2.274 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.694 1.212 -0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.012 -0.508 -0.211 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.190 1.754 2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.637 1.205 3.482 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.665 2.202 2.007 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.118 0.773 -0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.995 -0.235 1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.672 1.512 1.359 1.00 0.00 H new ATOM 542 N SER A 56 1.331 -0.114 2.434 1.00 0.00 N ATOM 543 CA SER A 56 2.338 -0.300 3.487 1.00 0.00 C ATOM 544 C SER A 56 2.933 0.961 4.104 1.00 0.00 C ATOM 545 O SER A 56 3.296 1.930 3.435 1.00 0.00 O ATOM 546 CB SER A 56 3.454 -1.240 3.020 1.00 0.00 C ATOM 547 OG SER A 56 4.515 -1.326 3.985 1.00 0.00 O ATOM 0 H SER A 56 1.674 0.370 1.604 1.00 0.00 H new ATOM 0 HA SER A 56 1.767 -0.748 4.300 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.042 -2.234 2.842 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.854 -0.886 2.070 1.00 0.00 H new ATOM 0 HG SER A 56 4.181 -1.050 4.864 1.00 0.00 H new ATOM 550 N ASP A 57 2.894 0.922 5.429 1.00 0.00 N ATOM 551 CA ASP A 57 3.419 1.959 6.324 1.00 0.00 C ATOM 552 C ASP A 57 4.957 2.013 6.257 1.00 0.00 C ATOM 553 O ASP A 57 5.626 1.039 6.612 1.00 0.00 O ATOM 554 CB ASP A 57 2.909 1.560 7.700 1.00 0.00 C ATOM 555 CG ASP A 57 3.427 2.304 8.942 1.00 0.00 C ATOM 556 OD1 ASP A 57 4.151 3.315 8.787 1.00 0.00 O ATOM 557 OD2 ASP A 57 3.107 1.777 10.023 1.00 0.00 O ATOM 0 H ASP A 57 2.481 0.139 5.935 1.00 0.00 H new ATOM 0 HA ASP A 57 3.091 2.963 6.054 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.824 1.660 7.688 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.131 0.502 7.837 1.00 0.00 H new ATOM 559 N TRP A 58 5.461 3.216 6.018 1.00 0.00 N ATOM 560 CA TRP A 58 6.904 3.509 5.889 1.00 0.00 C ATOM 561 C TRP A 58 7.736 2.893 7.030 1.00 0.00 C ATOM 562 O TRP A 58 8.602 2.063 6.751 1.00 0.00 O ATOM 563 CB TRP A 58 7.163 5.015 5.787 1.00 0.00 C ATOM 564 CG TRP A 58 8.538 5.289 5.175 1.00 0.00 C ATOM 565 CD1 TRP A 58 9.671 5.544 5.828 1.00 0.00 C ATOM 566 CD2 TRP A 58 8.834 5.346 3.819 1.00 0.00 C ATOM 567 NE1 TRP A 58 10.664 5.773 4.964 1.00 0.00 N ATOM 568 CE2 TRP A 58 10.203 5.656 3.722 1.00 0.00 C ATOM 569 CE3 TRP A 58 8.070 5.091 2.656 1.00 0.00 C ATOM 570 CZ2 TRP A 58 10.828 5.741 2.462 1.00 0.00 C ATOM 571 CZ3 TRP A 58 8.708 5.160 1.404 1.00 0.00 C ATOM 572 CH2 TRP A 58 10.073 5.480 1.307 1.00 0.00 C ATOM 0 H TRP A 58 4.874 4.042 5.904 1.00 0.00 H new ATOM 0 HA TRP A 58 7.230 3.039 4.961 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.389 5.481 5.177 1.00 0.00 H new ATOM 0 HB3 TRP A 58 7.104 5.467 6.777 1.00 0.00 H new ATOM 0 HD1 TRP A 58 9.772 5.563 6.903 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.625 6.002 5.217 1.00 0.00 H new ATOM 0 HE3 TRP A 58 7.020 4.849 2.728 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 11.873 6.003 2.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 8.141 4.964 0.506 1.00 0.00 H new ATOM 0 HH2 TRP A 58 10.545 5.526 0.337 1.00 0.00 H new ATOM 575 N ASN A 59 7.379 3.192 8.277 1.00 0.00 N ATOM 576 CA ASN A 59 8.121 2.594 9.394 1.00 0.00 C ATOM 577 C ASN A 59 7.313 1.463 10.056 1.00 0.00 C ATOM 578 O ASN A 59 6.199 1.649 10.544 1.00 0.00 O ATOM 579 CB ASN A 59 8.618 3.608 10.438 1.00 0.00 C ATOM 580 CG ASN A 59 9.658 2.958 11.358 1.00 0.00 C ATOM 581 OD1 ASN A 59 10.332 1.992 11.026 1.00 0.00 O ATOM 582 ND2 ASN A 59 9.752 3.420 12.577 1.00 0.00 N ATOM 0 H ASN A 59 6.616 3.816 8.538 1.00 0.00 H new ATOM 0 HA ASN A 59 9.022 2.171 8.950 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.055 4.472 9.937 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.778 3.974 11.029 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.384 2.976 13.243 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.194 4.225 12.862 1.00 0.00 H new ATOM 586 N MET A 60 7.893 0.280 9.895 1.00 0.00 N ATOM 587 CA MET A 60 7.355 -0.997 10.392 1.00 0.00 C ATOM 588 C MET A 60 8.510 -1.858 10.948 1.00 0.00 C ATOM 589 O MET A 60 9.578 -1.897 10.332 1.00 0.00 O ATOM 590 CB MET A 60 6.648 -1.740 9.253 1.00 0.00 C ATOM 591 CG MET A 60 5.282 -1.146 8.925 1.00 0.00 C ATOM 592 SD MET A 60 4.300 -2.150 7.758 1.00 0.00 S ATOM 593 CE MET A 60 5.499 -2.570 6.503 1.00 0.00 C ATOM 0 H MET A 60 8.779 0.171 9.401 1.00 0.00 H new ATOM 0 HA MET A 60 6.635 -0.804 11.187 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.275 -1.713 8.362 1.00 0.00 H new ATOM 0 HB3 MET A 60 6.528 -2.788 9.527 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.718 -1.026 9.850 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.421 -0.150 8.504 1.00 0.00 H new ATOM 0 HE1 MET A 60 5.011 -3.135 5.709 1.00 0.00 H new ATOM 0 HE2 MET A 60 5.927 -1.657 6.089 1.00 0.00 H new ATOM 0 HE3 MET A 60 6.291 -3.174 6.945 1.00 0.00 H new ATOM 595 N PRO A 61 8.312 -2.517 12.109 1.00 0.00 N ATOM 596 CA PRO A 61 9.319 -3.386 12.734 1.00 0.00 C ATOM 597 C PRO A 61 9.772 -4.507 11.803 1.00 0.00 C ATOM 598 O PRO A 61 9.014 -4.946 10.932 1.00 0.00 O ATOM 599 CB PRO A 61 8.652 -3.933 14.001 1.00 0.00 C ATOM 600 CG PRO A 61 7.154 -3.766 13.747 1.00 0.00 C ATOM 601 CD PRO A 61 7.087 -2.481 12.928 1.00 0.00 C ATOM 0 HA PRO A 61 10.229 -2.833 12.965 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.912 -4.978 14.167 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.969 -3.381 14.886 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.740 -4.614 13.202 1.00 0.00 H new ATOM 0 HG3 PRO A 61 6.594 -3.681 14.678 1.00 0.00 H new ATOM 0 HD2 PRO A 61 6.192 -2.450 12.307 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.061 -1.600 13.569 1.00 0.00 H new ATOM 602 N ASN A 62 11.056 -4.832 11.948 1.00 0.00 N ATOM 603 CA ASN A 62 11.795 -5.872 11.188 1.00 0.00 C ATOM 604 C ASN A 62 12.038 -5.544 9.704 1.00 0.00 C ATOM 605 O ASN A 62 13.172 -5.497 9.248 1.00 0.00 O ATOM 606 CB ASN A 62 11.164 -7.264 11.349 1.00 0.00 C ATOM 607 CG ASN A 62 11.209 -7.681 12.813 1.00 0.00 C ATOM 608 OD1 ASN A 62 10.388 -7.306 13.638 1.00 0.00 O ATOM 609 ND2 ASN A 62 12.272 -8.351 13.196 1.00 0.00 N ATOM 0 H ASN A 62 11.650 -4.361 12.630 1.00 0.00 H new ATOM 0 HA ASN A 62 12.784 -5.882 11.646 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.133 -7.250 10.996 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.700 -7.990 10.737 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.415 -8.560 14.184 1.00 0.00 H new ATOM 0 HD22 ASN A 62 12.955 -8.662 12.505 1.00 0.00 H new ATOM 613 N MET A 63 10.935 -5.343 8.989 1.00 0.00 N ATOM 614 CA MET A 63 10.920 -5.010 7.557 1.00 0.00 C ATOM 615 C MET A 63 9.953 -3.837 7.357 1.00 0.00 C ATOM 616 O MET A 63 8.744 -3.967 7.561 1.00 0.00 O ATOM 617 CB MET A 63 10.491 -6.272 6.787 1.00 0.00 C ATOM 618 CG MET A 63 10.572 -6.099 5.273 1.00 0.00 C ATOM 619 SD MET A 63 10.015 -7.566 4.333 1.00 0.00 S ATOM 620 CE MET A 63 11.387 -8.674 4.587 1.00 0.00 C ATOM 0 H MET A 63 10.001 -5.407 9.394 1.00 0.00 H new ATOM 0 HA MET A 63 11.897 -4.704 7.184 1.00 0.00 H new ATOM 0 HB2 MET A 63 11.124 -7.107 7.087 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.469 -6.531 7.064 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.967 -5.241 4.982 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.602 -5.871 4.997 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.227 -9.588 4.015 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.308 -8.195 4.256 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.466 -8.918 5.646 1.00 0.00 H new ATOM 622 N ASP A 64 10.559 -2.666 7.221 1.00 0.00 N ATOM 623 CA ASP A 64 9.815 -1.403 7.007 1.00 0.00 C ATOM 624 C ASP A 64 9.141 -1.349 5.626 1.00 0.00 C ATOM 625 O ASP A 64 9.540 -2.093 4.726 1.00 0.00 O ATOM 626 CB ASP A 64 10.713 -0.189 7.291 1.00 0.00 C ATOM 627 CG ASP A 64 11.951 -0.075 6.401 1.00 0.00 C ATOM 628 OD1 ASP A 64 11.745 -0.002 5.163 1.00 0.00 O ATOM 629 OD2 ASP A 64 13.062 -0.132 6.955 1.00 0.00 O ATOM 0 H ASP A 64 11.572 -2.550 7.253 1.00 0.00 H new ATOM 0 HA ASP A 64 8.996 -1.368 7.726 1.00 0.00 H new ATOM 0 HB2 ASP A 64 10.118 0.717 7.177 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.035 -0.231 8.331 1.00 0.00 H new ATOM 631 N GLY A 65 8.196 -0.422 5.459 1.00 0.00 N ATOM 632 CA GLY A 65 7.422 -0.216 4.211 1.00 0.00 C ATOM 633 C GLY A 65 8.265 -0.256 2.925 1.00 0.00 C ATOM 634 O GLY A 65 8.038 -1.078 2.039 1.00 0.00 O ATOM 0 H GLY A 65 7.933 0.228 6.200 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.648 -0.981 4.147 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.914 0.747 4.268 1.00 0.00 H new ATOM 636 N LEU A 66 9.345 0.520 2.943 1.00 0.00 N ATOM 637 CA LEU A 66 10.300 0.605 1.830 1.00 0.00 C ATOM 638 C LEU A 66 10.981 -0.751 1.517 1.00 0.00 C ATOM 639 O LEU A 66 11.031 -1.178 0.362 1.00 0.00 O ATOM 640 CB LEU A 66 11.285 1.726 2.170 1.00 0.00 C ATOM 641 CG LEU A 66 12.339 1.934 1.089 1.00 0.00 C ATOM 642 CD1 LEU A 66 11.748 2.340 -0.265 1.00 0.00 C ATOM 643 CD2 LEU A 66 13.315 3.036 1.529 1.00 0.00 C ATOM 0 H LEU A 66 9.589 1.115 3.735 1.00 0.00 H new ATOM 0 HA LEU A 66 9.783 0.845 0.901 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.734 2.655 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.779 1.495 3.114 1.00 0.00 H new ATOM 0 HG LEU A 66 12.840 0.975 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 66 12.553 2.472 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.070 1.561 -0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.200 3.276 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 66 14.069 3.185 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.768 3.966 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.802 2.741 2.458 1.00 0.00 H new ATOM 645 N GLU A 67 11.379 -1.478 2.563 1.00 0.00 N ATOM 646 CA GLU A 67 11.980 -2.822 2.418 1.00 0.00 C ATOM 647 C GLU A 67 10.962 -3.829 1.852 1.00 0.00 C ATOM 648 O GLU A 67 11.294 -4.598 0.953 1.00 0.00 O ATOM 649 CB GLU A 67 12.545 -3.346 3.741 1.00 0.00 C ATOM 650 CG GLU A 67 13.815 -2.616 4.182 1.00 0.00 C ATOM 651 CD GLU A 67 14.280 -3.153 5.533 1.00 0.00 C ATOM 652 OE1 GLU A 67 13.537 -2.891 6.512 1.00 0.00 O ATOM 653 OE2 GLU A 67 15.339 -3.812 5.547 1.00 0.00 O ATOM 0 H GLU A 67 11.299 -1.163 3.530 1.00 0.00 H new ATOM 0 HA GLU A 67 12.806 -2.718 1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 67 11.787 -3.246 4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 67 12.761 -4.410 3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.600 -2.751 3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.624 -1.545 4.253 1.00 0.00 H new ATOM 655 N LEU A 68 9.713 -3.705 2.306 1.00 0.00 N ATOM 656 CA LEU A 68 8.585 -4.534 1.829 1.00 0.00 C ATOM 657 C LEU A 68 8.379 -4.338 0.315 1.00 0.00 C ATOM 658 O LEU A 68 8.334 -5.310 -0.440 1.00 0.00 O ATOM 659 CB LEU A 68 7.311 -4.197 2.619 1.00 0.00 C ATOM 660 CG LEU A 68 6.100 -5.024 2.148 1.00 0.00 C ATOM 661 CD1 LEU A 68 6.288 -6.518 2.412 1.00 0.00 C ATOM 662 CD2 LEU A 68 4.836 -4.550 2.861 1.00 0.00 C ATOM 0 H LEU A 68 9.446 -3.026 3.018 1.00 0.00 H new ATOM 0 HA LEU A 68 8.817 -5.585 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.484 -4.380 3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.088 -3.135 2.511 1.00 0.00 H new ATOM 0 HG LEU A 68 6.008 -4.876 1.072 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.410 -7.062 2.064 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.170 -6.873 1.879 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.418 -6.685 3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.984 -5.140 2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.958 -4.673 3.937 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.662 -3.498 2.633 1.00 0.00 H new ATOM 664 N LEU A 69 8.439 -3.071 -0.104 1.00 0.00 N ATOM 665 CA LEU A 69 8.340 -2.649 -1.507 1.00 0.00 C ATOM 666 C LEU A 69 9.401 -3.376 -2.374 1.00 0.00 C ATOM 667 O LEU A 69 9.033 -4.101 -3.295 1.00 0.00 O ATOM 668 CB LEU A 69 8.462 -1.121 -1.435 1.00 0.00 C ATOM 669 CG LEU A 69 8.711 -0.376 -2.747 1.00 0.00 C ATOM 670 CD1 LEU A 69 7.662 -0.654 -3.821 1.00 0.00 C ATOM 671 CD2 LEU A 69 8.763 1.119 -2.441 1.00 0.00 C ATOM 0 H LEU A 69 8.561 -2.289 0.539 1.00 0.00 H new ATOM 0 HA LEU A 69 7.408 -2.918 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.546 -0.730 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.275 -0.879 -0.750 1.00 0.00 H new ATOM 0 HG LEU A 69 9.655 -0.734 -3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.906 -0.091 -4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.650 -1.719 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.680 -0.350 -3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.940 1.673 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.815 1.434 -2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.571 1.318 -1.737 1.00 0.00 H new ATOM 673 N LYS A 70 10.640 -3.411 -1.876 1.00 0.00 N ATOM 674 CA LYS A 70 11.758 -4.126 -2.531 1.00 0.00 C ATOM 675 C LYS A 70 11.477 -5.632 -2.691 1.00 0.00 C ATOM 676 O LYS A 70 11.554 -6.154 -3.805 1.00 0.00 O ATOM 677 CB LYS A 70 13.045 -3.925 -1.731 1.00 0.00 C ATOM 678 CG LYS A 70 13.503 -2.471 -1.742 1.00 0.00 C ATOM 679 CD LYS A 70 14.689 -2.278 -0.802 1.00 0.00 C ATOM 680 CE LYS A 70 15.136 -0.816 -0.792 1.00 0.00 C ATOM 681 NZ LYS A 70 16.231 -0.686 0.170 1.00 0.00 N ATOM 0 H LYS A 70 10.905 -2.947 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 70 11.869 -3.705 -3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.886 -4.247 -0.702 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.831 -4.556 -2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 70 13.782 -2.179 -2.754 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.681 -1.822 -1.438 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.414 -2.587 0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.516 -2.915 -1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 70 15.463 -0.510 -1.786 1.00 0.00 H new ATOM 0 HE3 LYS A 70 14.306 -0.165 -0.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.555 0.302 0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.898 -0.967 1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.019 -1.301 -0.116 1.00 0.00 H new ATOM 686 N THR A 71 10.990 -6.263 -1.615 1.00 0.00 N ATOM 687 CA THR A 71 10.612 -7.708 -1.568 1.00 0.00 C ATOM 688 C THR A 71 9.471 -8.087 -2.519 1.00 0.00 C ATOM 689 O THR A 71 9.304 -9.262 -2.842 1.00 0.00 O ATOM 690 CB THR A 71 10.451 -8.179 -0.133 1.00 0.00 C ATOM 691 OG1 THR A 71 9.702 -7.279 0.675 1.00 0.00 O ATOM 692 CG2 THR A 71 11.823 -8.437 0.484 1.00 0.00 C ATOM 0 H THR A 71 10.839 -5.786 -0.726 1.00 0.00 H new ATOM 0 HA THR A 71 11.445 -8.279 -1.977 1.00 0.00 H new ATOM 0 HB THR A 71 9.878 -9.106 -0.166 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.004 -6.856 0.133 1.00 0.00 H new ATOM 0 HG21 THR A 71 11.701 -8.775 1.513 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.342 -9.204 -0.091 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.407 -7.517 0.471 1.00 0.00 H new ATOM 695 N ILE A 72 8.741 -7.089 -2.997 1.00 0.00 N ATOM 696 CA ILE A 72 7.636 -7.233 -3.973 1.00 0.00 C ATOM 697 C ILE A 72 8.222 -7.043 -5.394 1.00 0.00 C ATOM 698 O ILE A 72 8.383 -8.004 -6.132 1.00 0.00 O ATOM 699 CB ILE A 72 6.482 -6.251 -3.671 1.00 0.00 C ATOM 700 CG1 ILE A 72 5.949 -6.465 -2.248 1.00 0.00 C ATOM 701 CG2 ILE A 72 5.330 -6.414 -4.682 1.00 0.00 C ATOM 702 CD1 ILE A 72 5.185 -5.253 -1.688 1.00 0.00 C ATOM 0 H ILE A 72 8.895 -6.121 -2.716 1.00 0.00 H new ATOM 0 HA ILE A 72 7.197 -8.228 -3.900 1.00 0.00 H new ATOM 0 HB ILE A 72 6.881 -5.240 -3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 72 5.290 -7.333 -2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.785 -6.695 -1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.534 -5.709 -4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.699 -6.217 -5.689 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.942 -7.431 -4.631 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.838 -5.476 -0.679 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.846 -4.387 -1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.329 -5.036 -2.327 1.00 0.00 H new ATOM 704 N ARG A 73 8.799 -5.854 -5.596 1.00 0.00 N ATOM 705 CA ARG A 73 9.433 -5.382 -6.860 1.00 0.00 C ATOM 706 C ARG A 73 10.505 -6.344 -7.419 1.00 0.00 C ATOM 707 O ARG A 73 10.458 -6.690 -8.600 1.00 0.00 O ATOM 708 CB ARG A 73 10.001 -3.983 -6.654 1.00 0.00 C ATOM 709 CG ARG A 73 8.862 -2.980 -6.459 1.00 0.00 C ATOM 710 CD ARG A 73 8.046 -2.802 -7.742 1.00 0.00 C ATOM 711 NE ARG A 73 6.847 -1.986 -7.462 1.00 0.00 N ATOM 712 CZ ARG A 73 5.607 -2.447 -7.271 1.00 0.00 C ATOM 713 NH1 ARG A 73 5.295 -3.720 -7.450 1.00 0.00 N ATOM 714 NH2 ARG A 73 4.616 -1.604 -7.081 1.00 0.00 N ATOM 0 H ARG A 73 8.846 -5.152 -4.857 1.00 0.00 H new ATOM 0 HA ARG A 73 8.650 -5.356 -7.618 1.00 0.00 H new ATOM 0 HB2 ARG A 73 10.659 -3.973 -5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 73 10.606 -3.697 -7.514 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.209 -3.321 -5.656 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.272 -2.018 -6.151 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.655 -2.320 -8.507 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.751 -3.775 -8.135 1.00 0.00 H new ATOM 0 HE ARG A 73 6.978 -0.976 -7.409 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.011 -4.384 -7.743 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.338 -4.037 -7.295 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.794 -0.600 -7.080 1.00 0.00 H new ATOM 0 HH22 ARG A 73 3.669 -1.954 -6.935 1.00 0.00 H new ATOM 721 N ALA A 74 11.397 -6.815 -6.545 1.00 0.00 N ATOM 722 CA ALA A 74 12.492 -7.736 -6.900 1.00 0.00 C ATOM 723 C ALA A 74 12.036 -9.176 -7.223 1.00 0.00 C ATOM 724 O ALA A 74 12.660 -9.877 -8.036 1.00 0.00 O ATOM 725 CB ALA A 74 13.519 -7.772 -5.769 1.00 0.00 C ATOM 0 H ALA A 74 11.383 -6.567 -5.556 1.00 0.00 H new ATOM 0 HA ALA A 74 12.927 -7.342 -7.818 1.00 0.00 H new ATOM 0 HB1 ALA A 74 14.328 -8.453 -6.033 1.00 0.00 H new ATOM 0 HB2 ALA A 74 13.924 -6.772 -5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.039 -8.116 -4.853 1.00 0.00 H new ATOM 727 N ASP A 75 10.942 -9.603 -6.599 1.00 0.00 N ATOM 728 CA ASP A 75 10.404 -10.959 -6.793 1.00 0.00 C ATOM 729 C ASP A 75 9.475 -10.968 -8.013 1.00 0.00 C ATOM 730 O ASP A 75 8.333 -10.516 -7.941 1.00 0.00 O ATOM 731 CB ASP A 75 9.692 -11.405 -5.510 1.00 0.00 C ATOM 732 CG ASP A 75 9.255 -12.874 -5.527 1.00 0.00 C ATOM 733 OD1 ASP A 75 8.862 -13.363 -6.615 1.00 0.00 O ATOM 734 OD2 ASP A 75 9.285 -13.476 -4.429 1.00 0.00 O ATOM 0 H ASP A 75 10.403 -9.030 -5.949 1.00 0.00 H new ATOM 0 HA ASP A 75 11.206 -11.670 -6.990 1.00 0.00 H new ATOM 0 HB2 ASP A 75 10.356 -11.242 -4.661 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.816 -10.776 -5.354 1.00 0.00 H new ATOM 736 N GLY A 76 10.019 -11.511 -9.110 1.00 0.00 N ATOM 737 CA GLY A 76 9.353 -11.684 -10.424 1.00 0.00 C ATOM 738 C GLY A 76 7.816 -11.718 -10.393 1.00 0.00 C ATOM 739 O GLY A 76 7.169 -10.723 -10.706 1.00 0.00 O ATOM 0 H GLY A 76 10.978 -11.860 -9.114 1.00 0.00 H new ATOM 0 HA2 GLY A 76 9.667 -10.872 -11.080 1.00 0.00 H new ATOM 0 HA3 GLY A 76 9.710 -12.611 -10.872 1.00 0.00 H new ATOM 741 N ALA A 77 7.273 -12.814 -9.862 1.00 0.00 N ATOM 742 CA ALA A 77 5.819 -13.036 -9.736 1.00 0.00 C ATOM 743 C ALA A 77 5.063 -11.927 -8.959 1.00 0.00 C ATOM 744 O ALA A 77 4.110 -11.353 -9.478 1.00 0.00 O ATOM 745 CB ALA A 77 5.583 -14.397 -9.075 1.00 0.00 C ATOM 0 H ALA A 77 7.832 -13.587 -9.500 1.00 0.00 H new ATOM 0 HA ALA A 77 5.410 -13.008 -10.746 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.512 -14.573 -8.976 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.024 -15.181 -9.690 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.045 -14.407 -8.088 1.00 0.00 H new ATOM 747 N MET A 78 5.660 -11.502 -7.850 1.00 0.00 N ATOM 748 CA MET A 78 5.128 -10.475 -6.938 1.00 0.00 C ATOM 749 C MET A 78 5.075 -9.043 -7.502 1.00 0.00 C ATOM 750 O MET A 78 4.257 -8.241 -7.058 1.00 0.00 O ATOM 751 CB MET A 78 5.956 -10.478 -5.648 1.00 0.00 C ATOM 752 CG MET A 78 5.620 -11.648 -4.729 1.00 0.00 C ATOM 753 SD MET A 78 4.016 -11.438 -3.854 1.00 0.00 S ATOM 754 CE MET A 78 4.452 -10.133 -2.725 1.00 0.00 C ATOM 0 H MET A 78 6.560 -11.872 -7.544 1.00 0.00 H new ATOM 0 HA MET A 78 4.088 -10.752 -6.765 1.00 0.00 H new ATOM 0 HB2 MET A 78 7.015 -10.515 -5.902 1.00 0.00 H new ATOM 0 HB3 MET A 78 5.789 -9.543 -5.113 1.00 0.00 H new ATOM 0 HG2 MET A 78 5.590 -12.566 -5.315 1.00 0.00 H new ATOM 0 HG3 MET A 78 6.416 -11.765 -3.994 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.899 -10.257 -1.794 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.522 -10.172 -2.519 1.00 0.00 H new ATOM 0 HE3 MET A 78 4.203 -9.169 -3.169 1.00 0.00 H new ATOM 756 N SER A 79 5.963 -8.730 -8.456 1.00 0.00 N ATOM 757 CA SER A 79 6.053 -7.401 -9.112 1.00 0.00 C ATOM 758 C SER A 79 4.715 -6.804 -9.596 1.00 0.00 C ATOM 759 O SER A 79 4.538 -5.590 -9.592 1.00 0.00 O ATOM 760 CB SER A 79 7.001 -7.440 -10.311 1.00 0.00 C ATOM 761 OG SER A 79 6.459 -8.267 -11.344 1.00 0.00 O ATOM 0 H SER A 79 6.652 -9.396 -8.804 1.00 0.00 H new ATOM 0 HA SER A 79 6.426 -6.755 -8.317 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.161 -6.431 -10.690 1.00 0.00 H new ATOM 0 HB3 SER A 79 7.974 -7.822 -10.002 1.00 0.00 H new ATOM 0 HG SER A 79 6.955 -9.112 -11.381 1.00 0.00 H new ATOM 764 N ALA A 80 3.758 -7.669 -9.919 1.00 0.00 N ATOM 765 CA ALA A 80 2.413 -7.299 -10.392 1.00 0.00 C ATOM 766 C ALA A 80 1.512 -6.539 -9.389 1.00 0.00 C ATOM 767 O ALA A 80 0.527 -5.939 -9.803 1.00 0.00 O ATOM 768 CB ALA A 80 1.699 -8.563 -10.869 1.00 0.00 C ATOM 0 H ALA A 80 3.893 -8.678 -9.860 1.00 0.00 H new ATOM 0 HA ALA A 80 2.580 -6.581 -11.195 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.701 -8.305 -11.223 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.266 -9.017 -11.682 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.620 -9.270 -10.043 1.00 0.00 H new ATOM 770 N LEU A 81 1.900 -6.490 -8.110 1.00 0.00 N ATOM 771 CA LEU A 81 1.066 -5.832 -7.072 1.00 0.00 C ATOM 772 C LEU A 81 1.499 -4.371 -6.808 1.00 0.00 C ATOM 773 O LEU A 81 2.602 -4.137 -6.318 1.00 0.00 O ATOM 774 CB LEU A 81 1.072 -6.555 -5.707 1.00 0.00 C ATOM 775 CG LEU A 81 1.266 -8.064 -5.767 1.00 0.00 C ATOM 776 CD1 LEU A 81 1.433 -8.610 -4.351 1.00 0.00 C ATOM 777 CD2 LEU A 81 0.169 -8.832 -6.508 1.00 0.00 C ATOM 0 H LEU A 81 2.772 -6.889 -7.762 1.00 0.00 H new ATOM 0 HA LEU A 81 0.062 -5.872 -7.494 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.865 -6.128 -5.093 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.129 -6.347 -5.201 1.00 0.00 H new ATOM 0 HG LEU A 81 2.167 -8.225 -6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.572 -9.690 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.303 -8.149 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.543 -8.381 -3.765 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.399 -9.897 -6.495 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.789 -8.662 -6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.115 -8.485 -7.540 1.00 0.00 H new ATOM 779 N PRO A 82 0.625 -3.395 -7.117 1.00 0.00 N ATOM 780 CA PRO A 82 0.885 -1.956 -6.868 1.00 0.00 C ATOM 781 C PRO A 82 1.124 -1.683 -5.383 1.00 0.00 C ATOM 782 O PRO A 82 0.413 -2.193 -4.515 1.00 0.00 O ATOM 783 CB PRO A 82 -0.353 -1.217 -7.357 1.00 0.00 C ATOM 784 CG PRO A 82 -1.410 -2.285 -7.609 1.00 0.00 C ATOM 785 CD PRO A 82 -0.627 -3.570 -7.874 1.00 0.00 C ATOM 0 HA PRO A 82 1.784 -1.625 -7.389 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -0.696 -0.497 -6.614 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.139 -0.658 -8.268 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.070 -2.396 -6.749 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.038 -2.024 -8.461 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.177 -4.448 -7.536 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -0.433 -3.706 -8.938 1.00 0.00 H new ATOM 786 N VAL A 83 2.045 -0.760 -5.134 1.00 0.00 N ATOM 787 CA VAL A 83 2.454 -0.400 -3.756 1.00 0.00 C ATOM 788 C VAL A 83 2.236 1.094 -3.426 1.00 0.00 C ATOM 789 O VAL A 83 2.812 1.995 -4.025 1.00 0.00 O ATOM 790 CB VAL A 83 3.924 -0.801 -3.513 1.00 0.00 C ATOM 791 CG1 VAL A 83 4.327 -0.609 -2.049 1.00 0.00 C ATOM 792 CG2 VAL A 83 4.189 -2.277 -3.821 1.00 0.00 C ATOM 0 H VAL A 83 2.532 -0.238 -5.862 1.00 0.00 H new ATOM 0 HA VAL A 83 1.807 -0.960 -3.081 1.00 0.00 H new ATOM 0 HB VAL A 83 4.499 -0.157 -4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.369 -0.902 -1.917 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.207 0.439 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.693 -1.227 -1.413 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.238 -2.505 -3.633 1.00 0.00 H new ATOM 0 HG22 VAL A 83 3.562 -2.900 -3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.956 -2.478 -4.867 1.00 0.00 H new ATOM 794 N LEU A 84 1.525 1.268 -2.314 1.00 0.00 N ATOM 795 CA LEU A 84 1.193 2.574 -1.723 1.00 0.00 C ATOM 796 C LEU A 84 1.915 2.738 -0.373 1.00 0.00 C ATOM 797 O LEU A 84 1.709 1.957 0.559 1.00 0.00 O ATOM 798 CB LEU A 84 -0.334 2.679 -1.557 1.00 0.00 C ATOM 799 CG LEU A 84 -0.816 4.024 -1.013 1.00 0.00 C ATOM 800 CD1 LEU A 84 -0.513 5.180 -1.968 1.00 0.00 C ATOM 801 CD2 LEU A 84 -2.329 3.945 -0.788 1.00 0.00 C ATOM 0 H LEU A 84 1.150 0.484 -1.779 1.00 0.00 H new ATOM 0 HA LEU A 84 1.528 3.377 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.806 2.501 -2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.670 1.888 -0.887 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.285 4.220 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.875 6.113 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.563 5.247 -2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.011 5.004 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.689 4.898 -0.400 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.826 3.727 -1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.549 3.154 -0.071 1.00 0.00 H new ATOM 803 N MET A 85 2.857 3.666 -0.372 1.00 0.00 N ATOM 804 CA MET A 85 3.673 4.005 0.824 1.00 0.00 C ATOM 805 C MET A 85 3.022 5.032 1.748 1.00 0.00 C ATOM 806 O MET A 85 2.907 6.220 1.435 1.00 0.00 O ATOM 807 CB MET A 85 5.052 4.457 0.324 1.00 0.00 C ATOM 808 CG MET A 85 5.902 3.318 -0.259 1.00 0.00 C ATOM 809 SD MET A 85 6.653 2.220 1.003 1.00 0.00 S ATOM 810 CE MET A 85 5.546 0.836 0.963 1.00 0.00 C ATOM 0 H MET A 85 3.093 4.219 -1.196 1.00 0.00 H new ATOM 0 HA MET A 85 3.765 3.120 1.453 1.00 0.00 H new ATOM 0 HB2 MET A 85 4.918 5.225 -0.438 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.595 4.918 1.149 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.279 2.718 -0.923 1.00 0.00 H new ATOM 0 HG3 MET A 85 6.696 3.748 -0.869 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.513 0.368 1.947 1.00 0.00 H new ATOM 0 HE2 MET A 85 4.547 1.177 0.689 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.896 0.111 0.228 1.00 0.00 H new ATOM 812 N VAL A 86 2.583 4.540 2.896 1.00 0.00 N ATOM 813 CA VAL A 86 1.961 5.402 3.913 1.00 0.00 C ATOM 814 C VAL A 86 3.077 5.971 4.784 1.00 0.00 C ATOM 815 O VAL A 86 3.644 5.319 5.675 1.00 0.00 O ATOM 816 CB VAL A 86 0.884 4.760 4.802 1.00 0.00 C ATOM 817 CG1 VAL A 86 -0.096 5.864 5.193 1.00 0.00 C ATOM 818 CG2 VAL A 86 0.075 3.652 4.111 1.00 0.00 C ATOM 0 H VAL A 86 2.641 3.555 3.155 1.00 0.00 H new ATOM 0 HA VAL A 86 1.413 6.164 3.359 1.00 0.00 H new ATOM 0 HB VAL A 86 1.396 4.301 5.648 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.879 5.448 5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.434 6.645 5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.544 6.288 4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.663 3.252 4.807 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.434 4.063 3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.747 2.853 3.796 1.00 0.00 H new ATOM 820 N THR A 87 3.413 7.202 4.421 1.00 0.00 N ATOM 821 CA THR A 87 4.496 7.990 5.040 1.00 0.00 C ATOM 822 C THR A 87 3.909 9.191 5.781 1.00 0.00 C ATOM 823 O THR A 87 2.938 9.795 5.339 1.00 0.00 O ATOM 824 CB THR A 87 5.550 8.402 3.992 1.00 0.00 C ATOM 825 OG1 THR A 87 6.452 9.377 4.550 1.00 0.00 O ATOM 826 CG2 THR A 87 4.977 8.846 2.637 1.00 0.00 C ATOM 0 H THR A 87 2.935 7.701 3.671 1.00 0.00 H new ATOM 0 HA THR A 87 5.014 7.371 5.772 1.00 0.00 H new ATOM 0 HB THR A 87 6.108 7.497 3.752 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.253 10.260 4.173 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.794 9.116 1.967 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.404 8.029 2.199 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.327 9.709 2.782 1.00 0.00 H new ATOM 829 N ALA A 88 4.486 9.484 6.945 1.00 0.00 N ATOM 830 CA ALA A 88 4.062 10.611 7.791 1.00 0.00 C ATOM 831 C ALA A 88 3.980 11.935 7.012 1.00 0.00 C ATOM 832 O ALA A 88 2.923 12.548 6.929 1.00 0.00 O ATOM 833 CB ALA A 88 4.990 10.746 9.005 1.00 0.00 C ATOM 0 H ALA A 88 5.263 8.949 7.334 1.00 0.00 H new ATOM 0 HA ALA A 88 3.053 10.391 8.139 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.664 11.584 9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.956 9.829 9.593 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.011 10.922 8.665 1.00 0.00 H new ATOM 835 N GLU A 89 5.057 12.245 6.295 1.00 0.00 N ATOM 836 CA GLU A 89 5.160 13.475 5.481 1.00 0.00 C ATOM 837 C GLU A 89 5.826 13.239 4.124 1.00 0.00 C ATOM 838 O GLU A 89 6.581 12.278 3.941 1.00 0.00 O ATOM 839 CB GLU A 89 5.924 14.560 6.251 1.00 0.00 C ATOM 840 CG GLU A 89 5.112 15.157 7.391 1.00 0.00 C ATOM 841 CD GLU A 89 5.940 16.171 8.186 1.00 0.00 C ATOM 842 OE1 GLU A 89 6.136 17.289 7.656 1.00 0.00 O ATOM 843 OE2 GLU A 89 6.391 15.797 9.288 1.00 0.00 O ATOM 0 H GLU A 89 5.889 11.656 6.255 1.00 0.00 H new ATOM 0 HA GLU A 89 4.140 13.805 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.845 14.135 6.651 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.212 15.354 5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 89 4.222 15.643 6.992 1.00 0.00 H new ATOM 0 HG3 GLU A 89 4.771 14.362 8.054 1.00 0.00 H new ATOM 845 N ALA A 90 5.468 14.102 3.170 1.00 0.00 N ATOM 846 CA ALA A 90 6.036 14.075 1.808 1.00 0.00 C ATOM 847 C ALA A 90 7.379 14.829 1.804 1.00 0.00 C ATOM 848 O ALA A 90 7.458 16.043 1.670 1.00 0.00 O ATOM 849 CB ALA A 90 5.057 14.700 0.813 1.00 0.00 C ATOM 0 H ALA A 90 4.778 14.840 3.313 1.00 0.00 H new ATOM 0 HA ALA A 90 6.208 13.042 1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.489 14.674 -0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.123 14.138 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.861 15.734 1.096 1.00 0.00 H new ATOM 851 N LYS A 91 8.393 14.067 2.197 1.00 0.00 N ATOM 852 CA LYS A 91 9.774 14.573 2.283 1.00 0.00 C ATOM 853 C LYS A 91 10.658 13.983 1.187 1.00 0.00 C ATOM 854 O LYS A 91 10.639 12.771 0.953 1.00 0.00 O ATOM 855 CB LYS A 91 10.400 14.234 3.634 1.00 0.00 C ATOM 856 CG LYS A 91 9.694 14.975 4.762 1.00 0.00 C ATOM 857 CD LYS A 91 10.450 14.712 6.062 1.00 0.00 C ATOM 858 CE LYS A 91 9.810 15.479 7.218 1.00 0.00 C ATOM 859 NZ LYS A 91 10.798 15.512 8.303 1.00 0.00 N ATOM 0 H LYS A 91 8.292 13.088 2.465 1.00 0.00 H new ATOM 0 HA LYS A 91 9.715 15.654 2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.341 13.159 3.807 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.457 14.498 3.626 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.663 16.044 4.552 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.661 14.637 4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.448 13.644 6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.492 15.013 5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.541 16.489 6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.892 14.990 7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.404 16.027 9.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.032 14.540 8.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.660 15.992 7.973 1.00 0.00 H new ATOM 864 N LYS A 92 11.526 14.846 0.673 1.00 0.00 N ATOM 865 CA LYS A 92 12.507 14.549 -0.386 1.00 0.00 C ATOM 866 C LYS A 92 13.183 13.184 -0.225 1.00 0.00 C ATOM 867 O LYS A 92 12.962 12.303 -1.051 1.00 0.00 O ATOM 868 CB LYS A 92 13.507 15.713 -0.345 1.00 0.00 C ATOM 869 CG LYS A 92 14.586 15.664 -1.421 1.00 0.00 C ATOM 870 CD LYS A 92 15.539 16.850 -1.247 1.00 0.00 C ATOM 871 CE LYS A 92 16.724 16.781 -2.214 1.00 0.00 C ATOM 872 NZ LYS A 92 17.653 15.712 -1.808 1.00 0.00 N ATOM 0 H LYS A 92 11.575 15.814 0.990 1.00 0.00 H new ATOM 0 HA LYS A 92 12.019 14.471 -1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 92 12.958 16.649 -0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 92 13.988 15.726 0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 92 15.139 14.727 -1.353 1.00 0.00 H new ATOM 0 HG3 LYS A 92 14.129 15.694 -2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 92 14.994 17.780 -1.408 1.00 0.00 H new ATOM 0 HD3 LYS A 92 15.909 16.871 -0.222 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.366 16.596 -3.227 1.00 0.00 H new ATOM 0 HE3 LYS A 92 17.245 17.738 -2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 18.623 15.974 -2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 17.603 15.581 -0.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 17.390 14.825 -2.283 1.00 0.00 H new ATOM 877 N GLU A 93 13.745 12.940 0.965 1.00 0.00 N ATOM 878 CA GLU A 93 14.437 11.675 1.299 1.00 0.00 C ATOM 879 C GLU A 93 13.551 10.427 1.087 1.00 0.00 C ATOM 880 O GLU A 93 13.896 9.560 0.270 1.00 0.00 O ATOM 881 CB GLU A 93 14.968 11.722 2.743 1.00 0.00 C ATOM 882 CG GLU A 93 16.238 12.575 2.910 1.00 0.00 C ATOM 883 CD GLU A 93 16.038 14.061 2.574 1.00 0.00 C ATOM 884 OE1 GLU A 93 15.073 14.645 3.110 1.00 0.00 O ATOM 885 OE2 GLU A 93 16.740 14.532 1.644 1.00 0.00 O ATOM 0 H GLU A 93 13.736 13.613 1.731 1.00 0.00 H new ATOM 0 HA GLU A 93 15.274 11.582 0.607 1.00 0.00 H new ATOM 0 HB2 GLU A 93 14.188 12.117 3.394 1.00 0.00 H new ATOM 0 HB3 GLU A 93 15.178 10.706 3.076 1.00 0.00 H new ATOM 0 HG2 GLU A 93 16.589 12.489 3.938 1.00 0.00 H new ATOM 0 HG3 GLU A 93 17.022 12.170 2.271 1.00 0.00 H new ATOM 887 N ASN A 94 12.344 10.476 1.643 1.00 0.00 N ATOM 888 CA ASN A 94 11.335 9.401 1.534 1.00 0.00 C ATOM 889 C ASN A 94 10.902 9.188 0.078 1.00 0.00 C ATOM 890 O ASN A 94 10.961 8.074 -0.435 1.00 0.00 O ATOM 891 CB ASN A 94 10.095 9.730 2.368 1.00 0.00 C ATOM 892 CG ASN A 94 10.380 9.956 3.856 1.00 0.00 C ATOM 893 OD1 ASN A 94 11.136 10.838 4.260 1.00 0.00 O ATOM 894 ND2 ASN A 94 9.702 9.212 4.700 1.00 0.00 N ATOM 0 H ASN A 94 12.024 11.273 2.193 1.00 0.00 H new ATOM 0 HA ASN A 94 11.800 8.489 1.909 1.00 0.00 H new ATOM 0 HB2 ASN A 94 9.624 10.624 1.960 1.00 0.00 H new ATOM 0 HB3 ASN A 94 9.377 8.916 2.267 1.00 0.00 H new ATOM 0 HD21 ASN A 94 9.799 9.362 5.704 1.00 0.00 H new ATOM 0 HD22 ASN A 94 9.079 8.484 4.351 1.00 0.00 H new ATOM 898 N ILE A 95 10.605 10.300 -0.602 1.00 0.00 N ATOM 899 CA ILE A 95 10.172 10.334 -2.013 1.00 0.00 C ATOM 900 C ILE A 95 11.174 9.646 -2.955 1.00 0.00 C ATOM 901 O ILE A 95 10.827 8.655 -3.594 1.00 0.00 O ATOM 902 CB ILE A 95 9.862 11.810 -2.386 1.00 0.00 C ATOM 903 CG1 ILE A 95 8.641 12.293 -1.588 1.00 0.00 C ATOM 904 CG2 ILE A 95 9.667 12.020 -3.900 1.00 0.00 C ATOM 905 CD1 ILE A 95 8.464 13.817 -1.577 1.00 0.00 C ATOM 0 H ILE A 95 10.659 11.227 -0.181 1.00 0.00 H new ATOM 0 HA ILE A 95 9.261 9.748 -2.139 1.00 0.00 H new ATOM 0 HB ILE A 95 10.731 12.411 -2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.744 11.837 -2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.729 11.941 -0.560 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.453 13.071 -4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.575 11.729 -4.428 1.00 0.00 H new ATOM 0 HG23 ILE A 95 8.834 11.409 -4.248 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.581 14.077 -0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.343 14.282 -1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.342 14.177 -2.599 1.00 0.00 H new ATOM 907 N ILE A 96 12.443 10.088 -2.896 1.00 0.00 N ATOM 908 CA ILE A 96 13.533 9.534 -3.729 1.00 0.00 C ATOM 909 C ILE A 96 13.636 8.006 -3.513 1.00 0.00 C ATOM 910 O ILE A 96 13.305 7.241 -4.425 1.00 0.00 O ATOM 911 CB ILE A 96 14.879 10.239 -3.462 1.00 0.00 C ATOM 912 CG1 ILE A 96 14.750 11.775 -3.557 1.00 0.00 C ATOM 913 CG2 ILE A 96 15.918 9.783 -4.498 1.00 0.00 C ATOM 914 CD1 ILE A 96 15.895 12.515 -2.850 1.00 0.00 C ATOM 0 H ILE A 96 12.744 10.837 -2.273 1.00 0.00 H new ATOM 0 HA ILE A 96 13.291 9.721 -4.775 1.00 0.00 H new ATOM 0 HB ILE A 96 15.190 9.971 -2.452 1.00 0.00 H new ATOM 0 HG12 ILE A 96 14.728 12.069 -4.606 1.00 0.00 H new ATOM 0 HG13 ILE A 96 13.800 12.083 -3.120 1.00 0.00 H new ATOM 0 HG21 ILE A 96 16.867 10.283 -4.306 1.00 0.00 H new ATOM 0 HG22 ILE A 96 16.055 8.704 -4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 96 15.570 10.038 -5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 96 15.750 13.591 -2.951 1.00 0.00 H new ATOM 0 HD12 ILE A 96 15.904 12.247 -1.793 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.845 12.233 -3.303 1.00 0.00 H new ATOM 916 N ALA A 97 13.764 7.631 -2.240 1.00 0.00 N ATOM 917 CA ALA A 97 13.875 6.225 -1.797 1.00 0.00 C ATOM 918 C ALA A 97 12.718 5.331 -2.292 1.00 0.00 C ATOM 919 O ALA A 97 12.951 4.296 -2.926 1.00 0.00 O ATOM 920 CB ALA A 97 13.982 6.196 -0.272 1.00 0.00 C ATOM 0 H ALA A 97 13.795 8.299 -1.470 1.00 0.00 H new ATOM 0 HA ALA A 97 14.774 5.804 -2.246 1.00 0.00 H new ATOM 0 HB1 ALA A 97 14.064 5.163 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 97 14.865 6.753 0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 97 13.093 6.651 0.164 1.00 0.00 H new ATOM 922 N ALA A 98 11.501 5.845 -2.161 1.00 0.00 N ATOM 923 CA ALA A 98 10.260 5.159 -2.576 1.00 0.00 C ATOM 924 C ALA A 98 10.209 4.868 -4.085 1.00 0.00 C ATOM 925 O ALA A 98 10.040 3.719 -4.502 1.00 0.00 O ATOM 926 CB ALA A 98 9.065 6.006 -2.127 1.00 0.00 C ATOM 0 H ALA A 98 11.334 6.767 -1.757 1.00 0.00 H new ATOM 0 HA ALA A 98 10.228 4.181 -2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 98 8.139 5.515 -2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.085 6.117 -1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 98 9.121 6.990 -2.593 1.00 0.00 H new ATOM 928 N ALA A 99 10.507 5.892 -4.886 1.00 0.00 N ATOM 929 CA ALA A 99 10.540 5.805 -6.354 1.00 0.00 C ATOM 930 C ALA A 99 11.631 4.832 -6.841 1.00 0.00 C ATOM 931 O ALA A 99 11.342 3.909 -7.603 1.00 0.00 O ATOM 932 CB ALA A 99 10.759 7.194 -6.953 1.00 0.00 C ATOM 0 H ALA A 99 10.736 6.821 -4.532 1.00 0.00 H new ATOM 0 HA ALA A 99 9.579 5.415 -6.690 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.782 7.122 -8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.945 7.853 -6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.706 7.599 -6.596 1.00 0.00 H new ATOM 934 N GLN A 100 12.806 4.930 -6.209 1.00 0.00 N ATOM 935 CA GLN A 100 13.982 4.074 -6.494 1.00 0.00 C ATOM 936 C GLN A 100 13.705 2.577 -6.323 1.00 0.00 C ATOM 937 O GLN A 100 14.278 1.746 -7.024 1.00 0.00 O ATOM 938 CB GLN A 100 15.136 4.458 -5.557 1.00 0.00 C ATOM 939 CG GLN A 100 15.750 5.813 -5.900 1.00 0.00 C ATOM 940 CD GLN A 100 16.805 6.198 -4.859 1.00 0.00 C ATOM 941 OE1 GLN A 100 16.536 6.836 -3.853 1.00 0.00 O ATOM 942 NE2 GLN A 100 18.029 5.769 -5.058 1.00 0.00 N ATOM 0 H GLN A 100 12.978 5.614 -5.472 1.00 0.00 H new ATOM 0 HA GLN A 100 14.237 4.245 -7.540 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.772 4.478 -4.530 1.00 0.00 H new ATOM 0 HB3 GLN A 100 15.909 3.691 -5.606 1.00 0.00 H new ATOM 0 HG2 GLN A 100 16.204 5.774 -6.890 1.00 0.00 H new ATOM 0 HG3 GLN A 100 14.971 6.574 -5.936 1.00 0.00 H new ATOM 0 HE21 GLN A 100 18.252 5.236 -5.899 1.00 0.00 H new ATOM 0 HE22 GLN A 100 18.757 5.968 -4.372 1.00 0.00 H new ATOM 946 N ALA A 101 12.841 2.262 -5.360 1.00 0.00 N ATOM 947 CA ALA A 101 12.451 0.869 -5.054 1.00 0.00 C ATOM 948 C ALA A 101 11.219 0.349 -5.809 1.00 0.00 C ATOM 949 O ALA A 101 10.832 -0.803 -5.613 1.00 0.00 O ATOM 950 CB ALA A 101 12.276 0.748 -3.529 1.00 0.00 C ATOM 0 H ALA A 101 12.387 2.956 -4.766 1.00 0.00 H new ATOM 0 HA ALA A 101 13.253 0.224 -5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.988 -0.272 -3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.216 0.993 -3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.500 1.438 -3.196 1.00 0.00 H new ATOM 952 N GLY A 102 10.595 1.197 -6.639 1.00 0.00 N ATOM 953 CA GLY A 102 9.416 0.821 -7.456 1.00 0.00 C ATOM 954 C GLY A 102 8.020 1.247 -6.942 1.00 0.00 C ATOM 955 O GLY A 102 7.023 0.802 -7.505 1.00 0.00 O ATOM 0 H GLY A 102 10.888 2.165 -6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.550 1.243 -8.452 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.416 -0.263 -7.566 1.00 0.00 H new ATOM 957 N ALA A 103 7.941 2.145 -5.959 1.00 0.00 N ATOM 958 CA ALA A 103 6.641 2.598 -5.401 1.00 0.00 C ATOM 959 C ALA A 103 5.680 3.195 -6.431 1.00 0.00 C ATOM 960 O ALA A 103 6.005 4.104 -7.183 1.00 0.00 O ATOM 961 CB ALA A 103 6.819 3.597 -4.256 1.00 0.00 C ATOM 0 H ALA A 103 8.755 2.580 -5.525 1.00 0.00 H new ATOM 0 HA ALA A 103 6.189 1.679 -5.027 1.00 0.00 H new ATOM 0 HB1 ALA A 103 5.841 3.899 -3.881 1.00 0.00 H new ATOM 0 HB2 ALA A 103 7.388 3.131 -3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.355 4.474 -4.618 1.00 0.00 H new ATOM 963 N SER A 104 4.457 2.669 -6.371 1.00 0.00 N ATOM 964 CA SER A 104 3.345 3.102 -7.254 1.00 0.00 C ATOM 965 C SER A 104 2.786 4.476 -6.861 1.00 0.00 C ATOM 966 O SER A 104 2.144 5.147 -7.675 1.00 0.00 O ATOM 967 CB SER A 104 2.209 2.085 -7.212 1.00 0.00 C ATOM 968 OG SER A 104 2.713 0.801 -7.560 1.00 0.00 O ATOM 0 H SER A 104 4.197 1.932 -5.715 1.00 0.00 H new ATOM 0 HA SER A 104 3.757 3.174 -8.260 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.767 2.057 -6.216 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.418 2.377 -7.903 1.00 0.00 H new ATOM 0 HG SER A 104 2.144 0.403 -8.252 1.00 0.00 H new ATOM 971 N GLY A 105 2.884 4.783 -5.571 1.00 0.00 N ATOM 972 CA GLY A 105 2.429 6.056 -4.966 1.00 0.00 C ATOM 973 C GLY A 105 2.743 6.079 -3.468 1.00 0.00 C ATOM 974 O GLY A 105 3.218 5.101 -2.889 1.00 0.00 O ATOM 0 H GLY A 105 3.292 4.144 -4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.919 6.896 -5.459 1.00 0.00 H new ATOM 0 HA3 GLY A 105 1.357 6.177 -5.121 1.00 0.00 H new ATOM 976 N TYR A 106 2.459 7.233 -2.876 1.00 0.00 N ATOM 977 CA TYR A 106 2.672 7.472 -1.439 1.00 0.00 C ATOM 978 C TYR A 106 1.581 8.385 -0.857 1.00 0.00 C ATOM 979 O TYR A 106 1.271 9.426 -1.414 1.00 0.00 O ATOM 980 CB TYR A 106 4.079 7.990 -1.112 1.00 0.00 C ATOM 981 CG TYR A 106 4.482 9.327 -1.749 1.00 0.00 C ATOM 982 CD1 TYR A 106 4.058 10.536 -1.162 1.00 0.00 C ATOM 983 CD2 TYR A 106 5.299 9.316 -2.909 1.00 0.00 C ATOM 984 CE1 TYR A 106 4.417 11.764 -1.744 1.00 0.00 C ATOM 985 CE2 TYR A 106 5.675 10.540 -3.491 1.00 0.00 C ATOM 986 CZ TYR A 106 5.221 11.749 -2.904 1.00 0.00 C ATOM 987 OH TYR A 106 5.567 12.930 -3.485 1.00 0.00 O ATOM 0 H TYR A 106 2.073 8.036 -3.373 1.00 0.00 H new ATOM 0 HA TYR A 106 2.593 6.499 -0.953 1.00 0.00 H new ATOM 0 HB2 TYR A 106 4.163 8.089 -0.030 1.00 0.00 H new ATOM 0 HB3 TYR A 106 4.801 7.234 -1.420 1.00 0.00 H new ATOM 0 HD1 TYR A 106 3.457 10.519 -0.265 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.627 8.381 -3.339 1.00 0.00 H new ATOM 0 HE1 TYR A 106 4.085 12.697 -1.314 1.00 0.00 H new ATOM 0 HE2 TYR A 106 6.300 10.559 -4.372 1.00 0.00 H new ATOM 0 HH TYR A 106 6.123 12.756 -4.273 1.00 0.00 H new ATOM 990 N VAL A 107 0.998 7.957 0.258 1.00 0.00 N ATOM 991 CA VAL A 107 -0.047 8.763 0.909 1.00 0.00 C ATOM 992 C VAL A 107 0.412 9.258 2.289 1.00 0.00 C ATOM 993 O VAL A 107 1.025 8.521 3.056 1.00 0.00 O ATOM 994 CB VAL A 107 -1.437 8.115 0.830 1.00 0.00 C ATOM 995 CG1 VAL A 107 -1.737 7.096 1.927 1.00 0.00 C ATOM 996 CG2 VAL A 107 -2.517 9.205 0.837 1.00 0.00 C ATOM 0 H VAL A 107 1.219 7.078 0.727 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.194 9.679 0.337 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.443 7.554 -0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.740 6.694 1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.011 6.284 1.878 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.674 7.581 2.901 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.502 8.742 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.441 9.786 1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -2.376 9.863 -0.021 1.00 0.00 H new ATOM 998 N VAL A 108 0.392 10.576 2.361 1.00 0.00 N ATOM 999 CA VAL A 108 0.795 11.351 3.557 1.00 0.00 C ATOM 1000 C VAL A 108 -0.277 11.276 4.660 1.00 0.00 C ATOM 1001 O VAL A 108 -1.389 11.769 4.489 1.00 0.00 O ATOM 1002 CB VAL A 108 1.110 12.805 3.126 1.00 0.00 C ATOM 1003 CG1 VAL A 108 1.441 13.734 4.299 1.00 0.00 C ATOM 1004 CG2 VAL A 108 2.267 12.831 2.132 1.00 0.00 C ATOM 0 H VAL A 108 0.092 11.164 1.584 1.00 0.00 H new ATOM 0 HA VAL A 108 1.696 10.919 3.992 1.00 0.00 H new ATOM 0 HB VAL A 108 0.197 13.178 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.651 14.735 3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.593 13.774 4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.315 13.355 4.828 1.00 0.00 H new ATOM 0 HG21 VAL A 108 2.474 13.861 1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 108 3.154 12.400 2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 108 2.001 12.251 1.249 1.00 0.00 H new ATOM 1006 N LYS A 109 0.109 10.666 5.771 1.00 0.00 N ATOM 1007 CA LYS A 109 -0.780 10.523 6.930 1.00 0.00 C ATOM 1008 C LYS A 109 -0.631 11.684 7.926 1.00 0.00 C ATOM 1009 O LYS A 109 0.510 12.001 8.293 1.00 0.00 O ATOM 1010 CB LYS A 109 -0.659 9.131 7.586 1.00 0.00 C ATOM 1011 CG LYS A 109 0.751 8.705 7.963 1.00 0.00 C ATOM 1012 CD LYS A 109 0.698 7.337 8.629 1.00 0.00 C ATOM 1013 CE LYS A 109 2.101 6.808 8.940 1.00 0.00 C ATOM 1014 NZ LYS A 109 1.950 5.546 9.670 1.00 0.00 N ATOM 0 H LYS A 109 1.035 10.258 5.901 1.00 0.00 H new ATOM 0 HA LYS A 109 -1.803 10.587 6.559 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.276 9.117 8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.073 8.390 6.903 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.382 8.666 7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.196 9.435 8.639 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.120 7.402 9.551 1.00 0.00 H new ATOM 0 HD3 LYS A 109 0.179 6.634 7.977 1.00 0.00 H new ATOM 0 HE2 LYS A 109 2.664 6.652 8.020 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.659 7.530 9.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.684 4.877 9.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.047 5.721 10.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.011 5.143 9.476 1.00 0.00 H new ATOM 1019 N PRO A 110 -1.748 12.233 8.433 1.00 0.00 N ATOM 1020 CA PRO A 110 -3.140 11.840 8.143 1.00 0.00 C ATOM 1021 C PRO A 110 -3.689 12.217 6.764 1.00 0.00 C ATOM 1022 O PRO A 110 -3.652 13.357 6.314 1.00 0.00 O ATOM 1023 CB PRO A 110 -3.962 12.465 9.268 1.00 0.00 C ATOM 1024 CG PRO A 110 -3.179 13.727 9.626 1.00 0.00 C ATOM 1025 CD PRO A 110 -1.715 13.301 9.459 1.00 0.00 C ATOM 0 HA PRO A 110 -3.195 10.752 8.104 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -4.975 12.701 8.941 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.051 11.792 10.121 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -3.433 14.557 8.967 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.388 14.053 10.645 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -1.093 14.137 9.140 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.300 12.935 10.398 1.00 0.00 H new ATOM 1026 N PHE A 111 -4.270 11.185 6.158 1.00 0.00 N ATOM 1027 CA PHE A 111 -4.921 11.219 4.835 1.00 0.00 C ATOM 1028 C PHE A 111 -6.394 10.801 5.012 1.00 0.00 C ATOM 1029 O PHE A 111 -6.682 9.873 5.766 1.00 0.00 O ATOM 1030 CB PHE A 111 -4.186 10.315 3.842 1.00 0.00 C ATOM 1031 CG PHE A 111 -4.215 8.820 4.181 1.00 0.00 C ATOM 1032 CD1 PHE A 111 -3.351 8.303 5.170 1.00 0.00 C ATOM 1033 CD2 PHE A 111 -5.130 7.984 3.510 1.00 0.00 C ATOM 1034 CE1 PHE A 111 -3.435 6.938 5.522 1.00 0.00 C ATOM 1035 CE2 PHE A 111 -5.214 6.619 3.849 1.00 0.00 C ATOM 1036 CZ PHE A 111 -4.367 6.107 4.865 1.00 0.00 C ATOM 0 H PHE A 111 -4.306 10.260 6.586 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.882 12.227 4.421 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -4.623 10.456 2.853 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -3.147 10.638 3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.631 8.946 5.654 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -5.766 8.389 2.737 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.791 6.533 6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.914 5.971 3.342 1.00 0.00 H new ATOM 0 HZ PHE A 111 -4.437 5.065 5.140 1.00 0.00 H new ATOM 1038 N THR A 112 -7.288 11.505 4.333 1.00 0.00 N ATOM 1039 CA THR A 112 -8.744 11.204 4.406 1.00 0.00 C ATOM 1040 C THR A 112 -9.159 10.319 3.223 1.00 0.00 C ATOM 1041 O THR A 112 -8.335 10.018 2.353 1.00 0.00 O ATOM 1042 CB THR A 112 -9.582 12.497 4.380 1.00 0.00 C ATOM 1043 OG1 THR A 112 -9.439 13.163 3.127 1.00 0.00 O ATOM 1044 CG2 THR A 112 -9.263 13.420 5.553 1.00 0.00 C ATOM 0 H THR A 112 -7.051 12.288 3.724 1.00 0.00 H new ATOM 0 HA THR A 112 -8.928 10.683 5.345 1.00 0.00 H new ATOM 0 HB THR A 112 -10.628 12.212 4.494 1.00 0.00 H new ATOM 0 HG1 THR A 112 -8.494 13.171 2.867 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.880 14.317 5.489 1.00 0.00 H new ATOM 0 HG22 THR A 112 -9.471 12.903 6.490 1.00 0.00 H new ATOM 0 HG23 THR A 112 -8.210 13.701 5.519 1.00 0.00 H new ATOM 1047 N ALA A 113 -10.442 9.957 3.160 1.00 0.00 N ATOM 1048 CA ALA A 113 -10.982 9.147 2.049 1.00 0.00 C ATOM 1049 C ALA A 113 -10.714 9.821 0.677 1.00 0.00 C ATOM 1050 O ALA A 113 -10.219 9.164 -0.232 1.00 0.00 O ATOM 1051 CB ALA A 113 -12.484 8.911 2.239 1.00 0.00 C ATOM 0 H ALA A 113 -11.134 10.210 3.865 1.00 0.00 H new ATOM 0 HA ALA A 113 -10.469 8.185 2.058 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -12.866 8.313 1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -12.653 8.383 3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -13.003 9.869 2.263 1.00 0.00 H new ATOM 1053 N ALA A 114 -10.792 11.155 0.655 1.00 0.00 N ATOM 1054 CA ALA A 114 -10.525 11.976 -0.547 1.00 0.00 C ATOM 1055 C ALA A 114 -9.047 11.883 -0.955 1.00 0.00 C ATOM 1056 O ALA A 114 -8.747 11.474 -2.077 1.00 0.00 O ATOM 1057 CB ALA A 114 -10.932 13.429 -0.282 1.00 0.00 C ATOM 0 H ALA A 114 -11.044 11.708 1.475 1.00 0.00 H new ATOM 0 HA ALA A 114 -11.120 11.592 -1.376 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -10.734 14.030 -1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -11.995 13.472 -0.045 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -10.357 13.821 0.557 1.00 0.00 H new ATOM 1059 N THR A 115 -8.142 12.083 0.015 1.00 0.00 N ATOM 1060 CA THR A 115 -6.680 11.994 -0.210 1.00 0.00 C ATOM 1061 C THR A 115 -6.297 10.565 -0.660 1.00 0.00 C ATOM 1062 O THR A 115 -5.561 10.406 -1.645 1.00 0.00 O ATOM 1063 CB THR A 115 -5.892 12.306 1.064 1.00 0.00 C ATOM 1064 OG1 THR A 115 -6.571 13.264 1.884 1.00 0.00 O ATOM 1065 CG2 THR A 115 -4.500 12.845 0.716 1.00 0.00 C ATOM 0 H THR A 115 -8.396 12.311 0.976 1.00 0.00 H new ATOM 0 HA THR A 115 -6.432 12.726 -0.979 1.00 0.00 H new ATOM 0 HB THR A 115 -5.800 11.373 1.620 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.975 13.559 2.604 1.00 0.00 H new ATOM 0 HG21 THR A 115 -3.954 13.061 1.634 1.00 0.00 H new ATOM 0 HG22 THR A 115 -3.955 12.099 0.137 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.600 13.758 0.129 1.00 0.00 H new ATOM 1068 N LEU A 116 -6.883 9.567 -0.001 1.00 0.00 N ATOM 1069 CA LEU A 116 -6.671 8.136 -0.319 1.00 0.00 C ATOM 1070 C LEU A 116 -7.117 7.833 -1.757 1.00 0.00 C ATOM 1071 O LEU A 116 -6.289 7.460 -2.589 1.00 0.00 O ATOM 1072 CB LEU A 116 -7.392 7.258 0.701 1.00 0.00 C ATOM 1073 CG LEU A 116 -7.152 5.747 0.500 1.00 0.00 C ATOM 1074 CD1 LEU A 116 -5.665 5.360 0.509 1.00 0.00 C ATOM 1075 CD2 LEU A 116 -7.884 4.986 1.599 1.00 0.00 C ATOM 0 H LEU A 116 -7.525 9.719 0.777 1.00 0.00 H new ATOM 0 HA LEU A 116 -5.607 7.908 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -7.066 7.538 1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -8.462 7.457 0.646 1.00 0.00 H new ATOM 0 HG LEU A 116 -7.534 5.485 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -5.568 4.284 0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -5.148 5.884 -0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -5.223 5.637 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -7.723 3.916 1.470 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -7.502 5.295 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -8.951 5.202 1.543 1.00 0.00 H new ATOM 1077 N GLU A 117 -8.368 8.192 -2.086 1.00 0.00 N ATOM 1078 CA GLU A 117 -8.947 7.985 -3.425 1.00 0.00 C ATOM 1079 C GLU A 117 -8.067 8.630 -4.516 1.00 0.00 C ATOM 1080 O GLU A 117 -7.638 7.948 -5.439 1.00 0.00 O ATOM 1081 CB GLU A 117 -10.357 8.597 -3.521 1.00 0.00 C ATOM 1082 CG GLU A 117 -11.071 8.121 -4.786 1.00 0.00 C ATOM 1083 CD GLU A 117 -12.273 9.009 -5.125 1.00 0.00 C ATOM 1084 OE1 GLU A 117 -13.304 8.864 -4.429 1.00 0.00 O ATOM 1085 OE2 GLU A 117 -12.131 9.842 -6.047 1.00 0.00 O ATOM 0 H GLU A 117 -9.010 8.636 -1.429 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.001 6.908 -3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -10.940 8.319 -2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.287 9.685 -3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.371 8.121 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.405 7.092 -4.650 1.00 0.00 H new ATOM 1087 N GLU A 118 -7.645 9.872 -4.255 1.00 0.00 N ATOM 1088 CA GLU A 118 -6.789 10.645 -5.176 1.00 0.00 C ATOM 1089 C GLU A 118 -5.499 9.890 -5.549 1.00 0.00 C ATOM 1090 O GLU A 118 -5.194 9.735 -6.733 1.00 0.00 O ATOM 1091 CB GLU A 118 -6.459 11.973 -4.496 1.00 0.00 C ATOM 1092 CG GLU A 118 -5.937 13.004 -5.491 1.00 0.00 C ATOM 1093 CD GLU A 118 -4.819 13.838 -4.852 1.00 0.00 C ATOM 1094 OE1 GLU A 118 -5.132 14.555 -3.864 1.00 0.00 O ATOM 1095 OE2 GLU A 118 -3.679 13.704 -5.328 1.00 0.00 O ATOM 0 H GLU A 118 -7.885 10.374 -3.400 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.324 10.809 -6.111 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -7.351 12.361 -4.005 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -5.713 11.808 -3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -5.562 12.502 -6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -6.750 13.656 -5.810 1.00 0.00 H new ATOM 1097 N LYS A 119 -4.818 9.339 -4.534 1.00 0.00 N ATOM 1098 CA LYS A 119 -3.588 8.559 -4.759 1.00 0.00 C ATOM 1099 C LYS A 119 -3.833 7.248 -5.509 1.00 0.00 C ATOM 1100 O LYS A 119 -3.206 7.016 -6.534 1.00 0.00 O ATOM 1101 CB LYS A 119 -2.808 8.337 -3.453 1.00 0.00 C ATOM 1102 CG LYS A 119 -2.229 9.643 -2.881 1.00 0.00 C ATOM 1103 CD LYS A 119 -1.290 10.413 -3.821 1.00 0.00 C ATOM 1104 CE LYS A 119 -0.013 9.653 -4.194 1.00 0.00 C ATOM 1105 NZ LYS A 119 0.799 10.486 -5.083 1.00 0.00 N ATOM 0 H LYS A 119 -5.094 9.417 -3.555 1.00 0.00 H new ATOM 0 HA LYS A 119 -2.963 9.164 -5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.467 7.881 -2.714 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.996 7.632 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.056 10.297 -2.605 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -1.687 9.410 -1.964 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.831 10.661 -4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.014 11.355 -3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 119 0.551 9.402 -3.296 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -0.265 8.713 -4.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.643 9.956 -5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.241 10.746 -5.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.091 11.348 -4.580 1.00 0.00 H new ATOM 1110 N LEU A 120 -4.914 6.556 -5.134 1.00 0.00 N ATOM 1111 CA LEU A 120 -5.352 5.297 -5.784 1.00 0.00 C ATOM 1112 C LEU A 120 -5.591 5.546 -7.286 1.00 0.00 C ATOM 1113 O LEU A 120 -5.010 4.880 -8.144 1.00 0.00 O ATOM 1114 CB LEU A 120 -6.645 4.777 -5.152 1.00 0.00 C ATOM 1115 CG LEU A 120 -6.486 4.315 -3.704 1.00 0.00 C ATOM 1116 CD1 LEU A 120 -7.860 4.203 -3.044 1.00 0.00 C ATOM 1117 CD2 LEU A 120 -5.739 2.983 -3.607 1.00 0.00 C ATOM 0 H LEU A 120 -5.520 6.848 -4.367 1.00 0.00 H new ATOM 0 HA LEU A 120 -4.569 4.552 -5.647 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -7.399 5.564 -5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -7.021 3.946 -5.749 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.888 5.060 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -7.742 3.873 -2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -8.352 5.176 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.467 3.480 -3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.648 2.692 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -6.291 2.216 -4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.745 3.091 -4.041 1.00 0.00 H new ATOM 1119 N ASN A 121 -6.323 6.629 -7.556 1.00 0.00 N ATOM 1120 CA ASN A 121 -6.674 7.122 -8.909 1.00 0.00 C ATOM 1121 C ASN A 121 -5.427 7.336 -9.789 1.00 0.00 C ATOM 1122 O ASN A 121 -5.286 6.702 -10.833 1.00 0.00 O ATOM 1123 CB ASN A 121 -7.457 8.431 -8.779 1.00 0.00 C ATOM 1124 CG ASN A 121 -8.923 8.241 -8.357 1.00 0.00 C ATOM 1125 OD1 ASN A 121 -9.336 7.262 -7.738 1.00 0.00 O ATOM 1126 ND2 ASN A 121 -9.734 9.233 -8.617 1.00 0.00 N ATOM 0 H ASN A 121 -6.707 7.216 -6.816 1.00 0.00 H new ATOM 0 HA ASN A 121 -7.286 6.364 -9.398 1.00 0.00 H new ATOM 0 HB2 ASN A 121 -6.959 9.070 -8.049 1.00 0.00 H new ATOM 0 HB3 ASN A 121 -7.429 8.956 -9.734 1.00 0.00 H new ATOM 0 HD21 ASN A 121 -10.705 9.193 -8.307 1.00 0.00 H new ATOM 0 HD22 ASN A 121 -9.396 10.047 -9.130 1.00 0.00 H new ATOM 1130 N LYS A 122 -4.486 8.120 -9.264 1.00 0.00 N ATOM 1131 CA LYS A 122 -3.187 8.418 -9.927 1.00 0.00 C ATOM 1132 C LYS A 122 -2.435 7.135 -10.349 1.00 0.00 C ATOM 1133 O LYS A 122 -2.010 7.004 -11.497 1.00 0.00 O ATOM 1134 CB LYS A 122 -2.337 9.267 -8.975 1.00 0.00 C ATOM 1135 CG LYS A 122 -1.050 9.785 -9.628 1.00 0.00 C ATOM 1136 CD LYS A 122 -0.174 10.436 -8.567 1.00 0.00 C ATOM 1137 CE LYS A 122 1.092 11.034 -9.174 1.00 0.00 C ATOM 1138 NZ LYS A 122 1.884 11.645 -8.092 1.00 0.00 N ATOM 0 H LYS A 122 -4.591 8.577 -8.358 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.382 8.970 -10.846 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -2.928 10.114 -8.625 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -2.080 8.673 -8.098 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -0.514 8.964 -10.104 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.290 10.505 -10.410 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -0.738 11.217 -8.058 1.00 0.00 H new ATOM 0 HD3 LYS A 122 0.097 9.696 -7.814 1.00 0.00 H new ATOM 0 HE2 LYS A 122 1.672 10.261 -9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.836 11.781 -9.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 2.752 12.058 -8.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 1.325 12.391 -7.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 2.135 10.918 -7.392 1.00 0.00 H new ATOM 1143 N ILE A 123 -2.425 6.153 -9.439 1.00 0.00 N ATOM 1144 CA ILE A 123 -1.770 4.846 -9.649 1.00 0.00 C ATOM 1145 C ILE A 123 -2.382 4.091 -10.857 1.00 0.00 C ATOM 1146 O ILE A 123 -1.670 3.725 -11.783 1.00 0.00 O ATOM 1147 CB ILE A 123 -1.812 4.027 -8.344 1.00 0.00 C ATOM 1148 CG1 ILE A 123 -1.037 4.792 -7.262 1.00 0.00 C ATOM 1149 CG2 ILE A 123 -1.223 2.612 -8.522 1.00 0.00 C ATOM 1150 CD1 ILE A 123 -1.309 4.356 -5.809 1.00 0.00 C ATOM 0 H ILE A 123 -2.874 6.239 -8.527 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.722 5.007 -9.903 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.854 3.899 -8.051 1.00 0.00 H new ATOM 0 HG12 ILE A 123 0.029 4.684 -7.460 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.273 5.852 -7.354 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.275 2.074 -7.575 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -1.794 2.073 -9.277 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -0.183 2.688 -8.839 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.710 4.962 -5.129 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.366 4.492 -5.580 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.044 3.306 -5.689 1.00 0.00 H new ATOM 1152 N PHE A 124 -3.712 4.002 -10.869 1.00 0.00 N ATOM 1153 CA PHE A 124 -4.464 3.320 -11.948 1.00 0.00 C ATOM 1154 C PHE A 124 -4.202 3.948 -13.325 1.00 0.00 C ATOM 1155 O PHE A 124 -3.916 3.224 -14.270 1.00 0.00 O ATOM 1156 CB PHE A 124 -5.972 3.330 -11.678 1.00 0.00 C ATOM 1157 CG PHE A 124 -6.368 2.573 -10.396 1.00 0.00 C ATOM 1158 CD1 PHE A 124 -5.691 1.391 -10.010 1.00 0.00 C ATOM 1159 CD2 PHE A 124 -7.289 3.201 -9.536 1.00 0.00 C ATOM 1160 CE1 PHE A 124 -5.918 0.855 -8.728 1.00 0.00 C ATOM 1161 CE2 PHE A 124 -7.523 2.663 -8.247 1.00 0.00 C ATOM 1162 CZ PHE A 124 -6.810 1.505 -7.847 1.00 0.00 C ATOM 0 H PHE A 124 -4.306 4.396 -10.139 1.00 0.00 H new ATOM 0 HA PHE A 124 -4.104 2.291 -11.957 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -6.313 4.362 -11.602 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -6.489 2.885 -12.528 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -5.008 0.906 -10.691 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -7.814 4.088 -9.858 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -5.413 -0.048 -8.420 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -8.233 3.128 -7.579 1.00 0.00 H new ATOM 0 HZ PHE A 124 -6.951 1.113 -6.851 1.00 0.00 H new