USER MOD reduce.3.24.130724 H: found=0, std=0, add=1009, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1005 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 43 THR OG1 : rot 113:sc= 0.97 USER MOD Set 1.2: A 48 THR OG1 : rot 100:sc= 2.1 USER MOD Set 2.1: A 19 ASN : amide:sc= -0.381 K(o=0.26,f=-1.6!) USER MOD Set 2.2: A 22 THR OG1 : rot -71:sc= 0.645 USER MOD Single : A 7 CYS SG : rot 180:sc= -0.0469 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -1.7 X(o=-1.7,f=-1.9) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 85:sc= 0.0426 USER MOD Single : A 20 SER OG : rot -157:sc= 0.488 USER MOD Single : A 24 GLN : amide:sc= -0.299 K(o=-0.3,f=-1.4!) USER MOD Single : A 25 LYS NZ :NH3+ -159:sc= -0.102 (180deg=-0.659) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.839 USER MOD Single : A 29 THR OG1 : rot 150:sc= -0.809 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 50:sc= 1.19 USER MOD Single : A 41 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.012) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.048 USER MOD Single : A 46 LYS NZ :NH3+ -123:sc= -0.0441 (180deg=-0.0558) USER MOD Single : A 54 THR OG1 : rot 165:sc= 0.318 USER MOD Single : A 58 GLN : amide:sc= -0.132 K(o=-0.13,f=-2.8!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 107:sc= 1.25 USER MOD Single : A 62 HIS : no HD1:sc= -0.631 X(o=-0.63,f=-0.47) USER MOD Single : A 63 HIS : no HD1:sc= -2.39 X(o=-2.4,f=-2.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.474 USER MOD Single : A 75 GLN : amide:sc= -0.0631 X(o=-0.063,f=-0.007) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 80 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-3.7!) USER MOD Single : A 81 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.133) USER MOD Single : A 82 GLN : amide:sc= -2.15! C(o=-2.2!,f=-4.8!) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.243 K(o=-0.24,f=-3.2!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.0686 K(o=-0.069,f=-0.61) USER MOD Single : A 111 SER OG : rot 165:sc= -1 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -160:sc= -1.71 USER MOD Single : A 124 MET CE :methyl -162:sc= -3.61! (180deg=-4.21!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 103:sc= 0.39 USER MOD ----------------------------------------------------------------- ATOM 92 N CYS A 7 -16.429 7.636 1.117 1.00 0.45 N ATOM 93 CA CYS A 7 -15.644 6.906 0.079 1.00 0.43 C ATOM 94 C CYS A 7 -15.089 7.885 -0.963 1.00 0.64 C ATOM 95 O CYS A 7 -13.998 7.713 -1.466 1.00 0.92 O ATOM 96 CB CYS A 7 -16.552 5.889 -0.618 1.00 0.47 C ATOM 97 SG CYS A 7 -15.811 5.399 -2.197 1.00 1.18 S ATOM 0 HA CYS A 7 -14.811 6.396 0.562 1.00 0.43 H new ATOM 0 HB2 CYS A 7 -16.691 5.014 0.017 1.00 0.47 H new ATOM 0 HB3 CYS A 7 -17.538 6.321 -0.786 1.00 0.47 H new ATOM 0 HG CYS A 7 -16.581 4.534 -2.788 1.00 1.18 H new ATOM 102 N ASP A 8 -15.839 8.897 -1.305 1.00 0.68 N ATOM 103 CA ASP A 8 -15.363 9.870 -2.332 1.00 0.86 C ATOM 104 C ASP A 8 -14.224 10.734 -1.778 1.00 0.64 C ATOM 105 O ASP A 8 -13.435 11.276 -2.523 1.00 1.12 O ATOM 106 CB ASP A 8 -16.529 10.777 -2.732 1.00 1.13 C ATOM 107 CG ASP A 8 -16.077 11.745 -3.828 1.00 2.09 C ATOM 108 OD1 ASP A 8 -15.428 12.723 -3.497 1.00 2.95 O ATOM 109 OD2 ASP A 8 -16.390 11.492 -4.980 1.00 2.50 O ATOM 0 H ASP A 8 -16.762 9.093 -0.918 1.00 0.68 H new ATOM 0 HA ASP A 8 -14.993 9.317 -3.195 1.00 0.86 H new ATOM 0 HB2 ASP A 8 -17.365 10.175 -3.087 1.00 1.13 H new ATOM 0 HB3 ASP A 8 -16.883 11.334 -1.865 1.00 1.13 H new ATOM 114 N ILE A 9 -14.144 10.900 -0.489 1.00 0.30 N ATOM 115 CA ILE A 9 -13.066 11.763 0.076 1.00 0.70 C ATOM 116 C ILE A 9 -11.810 10.949 0.427 1.00 0.55 C ATOM 117 O ILE A 9 -10.786 11.058 -0.219 1.00 0.48 O ATOM 118 CB ILE A 9 -13.586 12.456 1.336 1.00 1.09 C ATOM 119 CG1 ILE A 9 -14.580 13.551 0.943 1.00 1.13 C ATOM 120 CG2 ILE A 9 -12.416 13.084 2.095 1.00 1.56 C ATOM 121 CD1 ILE A 9 -15.356 14.005 2.180 1.00 1.98 C ATOM 0 H ILE A 9 -14.772 10.480 0.196 1.00 0.30 H new ATOM 0 HA ILE A 9 -12.790 12.498 -0.680 1.00 0.70 H new ATOM 0 HB ILE A 9 -14.082 11.723 1.973 1.00 1.09 H new ATOM 0 HG12 ILE A 9 -14.051 14.396 0.503 1.00 1.13 H new ATOM 0 HG13 ILE A 9 -15.269 13.177 0.186 1.00 1.13 H new ATOM 0 HG21 ILE A 9 -12.788 13.578 2.993 1.00 1.56 H new ATOM 0 HG22 ILE A 9 -11.705 12.307 2.376 1.00 1.56 H new ATOM 0 HG23 ILE A 9 -11.920 13.816 1.458 1.00 1.56 H new ATOM 0 HD11 ILE A 9 -16.064 14.785 1.899 1.00 1.98 H new ATOM 0 HD12 ILE A 9 -15.898 13.158 2.601 1.00 1.98 H new ATOM 0 HD13 ILE A 9 -14.660 14.396 2.923 1.00 1.98 H new ATOM 133 N THR A 10 -11.872 10.176 1.477 1.00 0.56 N ATOM 134 CA THR A 10 -10.675 9.395 1.921 1.00 0.50 C ATOM 135 C THR A 10 -10.320 8.267 0.945 1.00 0.43 C ATOM 136 O THR A 10 -9.160 7.999 0.703 1.00 0.46 O ATOM 137 CB THR A 10 -10.963 8.790 3.297 1.00 0.59 C ATOM 138 OG1 THR A 10 -11.403 9.814 4.178 1.00 0.63 O ATOM 139 CG2 THR A 10 -9.689 8.148 3.853 1.00 0.60 C ATOM 0 H THR A 10 -12.705 10.049 2.052 1.00 0.56 H new ATOM 0 HA THR A 10 -9.827 10.078 1.959 1.00 0.50 H new ATOM 0 HB THR A 10 -11.738 8.030 3.205 1.00 0.59 H new ATOM 0 HG1 THR A 10 -11.590 9.429 5.060 1.00 0.63 H new ATOM 0 HG21 THR A 10 -9.896 7.718 4.833 1.00 0.60 H new ATOM 0 HG22 THR A 10 -9.352 7.363 3.176 1.00 0.60 H new ATOM 0 HG23 THR A 10 -8.911 8.905 3.947 1.00 0.60 H new ATOM 147 N LEU A 11 -11.286 7.578 0.412 1.00 0.40 N ATOM 148 CA LEU A 11 -10.963 6.445 -0.508 1.00 0.39 C ATOM 149 C LEU A 11 -10.473 6.958 -1.870 1.00 0.37 C ATOM 150 O LEU A 11 -9.612 6.359 -2.482 1.00 0.39 O ATOM 151 CB LEU A 11 -12.211 5.576 -0.697 1.00 0.47 C ATOM 152 CG LEU A 11 -11.944 4.147 -0.198 1.00 0.53 C ATOM 153 CD1 LEU A 11 -11.400 4.173 1.234 1.00 0.85 C ATOM 154 CD2 LEU A 11 -13.251 3.354 -0.215 1.00 0.86 C ATOM 0 H LEU A 11 -12.280 7.745 0.569 1.00 0.40 H new ATOM 0 HA LEU A 11 -10.162 5.854 -0.064 1.00 0.39 H new ATOM 0 HB2 LEU A 11 -13.050 6.008 -0.152 1.00 0.47 H new ATOM 0 HB3 LEU A 11 -12.492 5.555 -1.750 1.00 0.47 H new ATOM 0 HG LEU A 11 -11.208 3.679 -0.852 1.00 0.53 H new ATOM 0 HD11 LEU A 11 -11.216 3.153 1.572 1.00 0.85 H new ATOM 0 HD12 LEU A 11 -10.468 4.737 1.259 1.00 0.85 H new ATOM 0 HD13 LEU A 11 -12.129 4.647 1.891 1.00 0.85 H new ATOM 0 HD21 LEU A 11 -13.066 2.340 0.138 1.00 0.86 H new ATOM 0 HD22 LEU A 11 -13.979 3.838 0.436 1.00 0.86 H new ATOM 0 HD23 LEU A 11 -13.642 3.318 -1.232 1.00 0.86 H new ATOM 166 N GLN A 12 -11.000 8.048 -2.358 1.00 0.35 N ATOM 167 CA GLN A 12 -10.531 8.553 -3.684 1.00 0.36 C ATOM 168 C GLN A 12 -9.105 9.089 -3.544 1.00 0.29 C ATOM 169 O GLN A 12 -8.270 8.892 -4.408 1.00 0.21 O ATOM 170 CB GLN A 12 -11.478 9.654 -4.190 1.00 0.37 C ATOM 171 CG GLN A 12 -10.820 11.035 -4.074 1.00 0.81 C ATOM 172 CD GLN A 12 -11.806 12.110 -4.541 1.00 1.11 C ATOM 173 OE1 GLN A 12 -12.018 13.094 -3.860 1.00 2.40 O ATOM 174 NE2 GLN A 12 -12.424 11.961 -5.682 1.00 0.47 N ATOM 0 H GLN A 12 -11.725 8.605 -1.905 1.00 0.35 H new ATOM 0 HA GLN A 12 -10.534 7.740 -4.410 1.00 0.36 H new ATOM 0 HB2 GLN A 12 -11.746 9.460 -5.229 1.00 0.37 H new ATOM 0 HB3 GLN A 12 -12.403 9.637 -3.614 1.00 0.37 H new ATOM 0 HG2 GLN A 12 -10.522 11.223 -3.042 1.00 0.81 H new ATOM 0 HG3 GLN A 12 -9.914 11.070 -4.679 1.00 0.81 H new ATOM 0 HE21 GLN A 12 -12.247 11.135 -6.254 1.00 0.47 H new ATOM 0 HE22 GLN A 12 -13.084 12.670 -6.001 1.00 0.47 H new ATOM 183 N GLU A 13 -8.809 9.749 -2.461 1.00 0.34 N ATOM 184 CA GLU A 13 -7.429 10.274 -2.276 1.00 0.28 C ATOM 185 C GLU A 13 -6.479 9.095 -2.065 1.00 0.25 C ATOM 186 O GLU A 13 -5.334 9.122 -2.474 1.00 0.21 O ATOM 187 CB GLU A 13 -7.392 11.195 -1.057 1.00 0.28 C ATOM 188 CG GLU A 13 -7.416 12.652 -1.524 1.00 0.46 C ATOM 189 CD GLU A 13 -7.012 13.564 -0.366 1.00 0.79 C ATOM 190 OE1 GLU A 13 -7.028 13.099 0.761 1.00 1.71 O ATOM 191 OE2 GLU A 13 -6.694 14.713 -0.627 1.00 1.20 O ATOM 0 H GLU A 13 -9.458 9.947 -1.700 1.00 0.34 H new ATOM 0 HA GLU A 13 -7.123 10.840 -3.156 1.00 0.28 H new ATOM 0 HB2 GLU A 13 -8.245 10.994 -0.409 1.00 0.28 H new ATOM 0 HB3 GLU A 13 -6.494 11.004 -0.469 1.00 0.28 H new ATOM 0 HG2 GLU A 13 -6.734 12.788 -2.363 1.00 0.46 H new ATOM 0 HG3 GLU A 13 -8.413 12.915 -1.878 1.00 0.46 H new ATOM 198 N ILE A 14 -6.955 8.051 -1.442 1.00 0.27 N ATOM 199 CA ILE A 14 -6.094 6.857 -1.213 1.00 0.25 C ATOM 200 C ILE A 14 -5.873 6.130 -2.541 1.00 0.28 C ATOM 201 O ILE A 14 -4.894 5.437 -2.720 1.00 0.35 O ATOM 202 CB ILE A 14 -6.785 5.920 -0.216 1.00 0.34 C ATOM 203 CG1 ILE A 14 -5.998 5.919 1.093 1.00 0.46 C ATOM 204 CG2 ILE A 14 -6.839 4.493 -0.774 1.00 0.30 C ATOM 205 CD1 ILE A 14 -6.827 5.239 2.182 1.00 0.96 C ATOM 0 H ILE A 14 -7.906 7.974 -1.081 1.00 0.27 H new ATOM 0 HA ILE A 14 -5.131 7.167 -0.809 1.00 0.25 H new ATOM 0 HB ILE A 14 -7.803 6.270 -0.044 1.00 0.34 H new ATOM 0 HG12 ILE A 14 -5.051 5.395 0.961 1.00 0.46 H new ATOM 0 HG13 ILE A 14 -5.759 6.941 1.387 1.00 0.46 H new ATOM 0 HG21 ILE A 14 -7.332 3.839 -0.055 1.00 0.30 H new ATOM 0 HG22 ILE A 14 -7.397 4.489 -1.710 1.00 0.30 H new ATOM 0 HG23 ILE A 14 -5.826 4.134 -0.954 1.00 0.30 H new ATOM 0 HD11 ILE A 14 -6.267 5.237 3.117 1.00 0.96 H new ATOM 0 HD12 ILE A 14 -7.762 5.782 2.320 1.00 0.96 H new ATOM 0 HD13 ILE A 14 -7.044 4.212 1.887 1.00 0.96 H new ATOM 217 N ILE A 15 -6.777 6.278 -3.470 1.00 0.29 N ATOM 218 CA ILE A 15 -6.616 5.594 -4.781 1.00 0.38 C ATOM 219 C ILE A 15 -5.497 6.275 -5.572 1.00 0.41 C ATOM 220 O ILE A 15 -4.662 5.624 -6.173 1.00 0.51 O ATOM 221 CB ILE A 15 -7.930 5.688 -5.558 1.00 0.42 C ATOM 222 CG1 ILE A 15 -8.942 4.711 -4.956 1.00 0.73 C ATOM 223 CG2 ILE A 15 -7.690 5.333 -7.024 1.00 0.78 C ATOM 224 CD1 ILE A 15 -10.358 5.243 -5.179 1.00 0.80 C ATOM 0 H ILE A 15 -7.620 6.844 -3.376 1.00 0.29 H new ATOM 0 HA ILE A 15 -6.360 4.546 -4.625 1.00 0.38 H new ATOM 0 HB ILE A 15 -8.317 6.705 -5.494 1.00 0.42 H new ATOM 0 HG12 ILE A 15 -8.834 3.729 -5.417 1.00 0.73 H new ATOM 0 HG13 ILE A 15 -8.753 4.585 -3.890 1.00 0.73 H new ATOM 0 HG21 ILE A 15 -8.629 5.401 -7.573 1.00 0.78 H new ATOM 0 HG22 ILE A 15 -6.967 6.027 -7.453 1.00 0.78 H new ATOM 0 HG23 ILE A 15 -7.302 4.317 -7.093 1.00 0.78 H new ATOM 0 HD11 ILE A 15 -11.080 4.548 -4.750 1.00 0.80 H new ATOM 0 HD12 ILE A 15 -10.461 6.216 -4.698 1.00 0.80 H new ATOM 0 HD13 ILE A 15 -10.544 5.346 -6.248 1.00 0.80 H new ATOM 236 N LYS A 16 -5.471 7.579 -5.574 1.00 0.37 N ATOM 237 CA LYS A 16 -4.403 8.302 -6.323 1.00 0.42 C ATOM 238 C LYS A 16 -3.038 7.968 -5.719 1.00 0.44 C ATOM 239 O LYS A 16 -2.153 7.474 -6.391 1.00 0.77 O ATOM 240 CB LYS A 16 -4.642 9.810 -6.225 1.00 0.38 C ATOM 241 CG LYS A 16 -5.928 10.176 -6.965 1.00 1.19 C ATOM 242 CD LYS A 16 -6.190 11.674 -6.811 1.00 0.70 C ATOM 243 CE LYS A 16 -7.651 11.904 -6.426 1.00 1.26 C ATOM 244 NZ LYS A 16 -7.860 13.349 -6.127 1.00 1.54 N ATOM 0 H LYS A 16 -6.142 8.176 -5.090 1.00 0.37 H new ATOM 0 HA LYS A 16 -4.425 7.995 -7.369 1.00 0.42 H new ATOM 0 HB2 LYS A 16 -4.715 10.109 -5.179 1.00 0.38 H new ATOM 0 HB3 LYS A 16 -3.798 10.350 -6.653 1.00 0.38 H new ATOM 0 HG2 LYS A 16 -5.840 9.917 -8.020 1.00 1.19 H new ATOM 0 HG3 LYS A 16 -6.766 9.605 -6.565 1.00 1.19 H new ATOM 0 HD2 LYS A 16 -5.533 12.091 -6.048 1.00 0.70 H new ATOM 0 HD3 LYS A 16 -5.964 12.190 -7.744 1.00 0.70 H new ATOM 0 HE2 LYS A 16 -8.307 11.590 -7.238 1.00 1.26 H new ATOM 0 HE3 LYS A 16 -7.909 11.300 -5.556 1.00 1.26 H new ATOM 0 HZ1 LYS A 16 -8.854 13.509 -5.865 1.00 1.54 H new ATOM 0 HZ2 LYS A 16 -7.244 13.633 -5.339 1.00 1.54 H new ATOM 0 HZ3 LYS A 16 -7.629 13.915 -6.969 1.00 1.54 H new ATOM 258 N THR A 17 -2.862 8.239 -4.457 1.00 0.14 N ATOM 259 CA THR A 17 -1.555 7.944 -3.802 1.00 0.19 C ATOM 260 C THR A 17 -1.200 6.470 -4.004 1.00 0.18 C ATOM 261 O THR A 17 -0.047 6.110 -4.129 1.00 0.30 O ATOM 262 CB THR A 17 -1.663 8.239 -2.306 1.00 0.28 C ATOM 263 OG1 THR A 17 -2.108 9.575 -2.119 1.00 0.68 O ATOM 264 CG2 THR A 17 -0.294 8.058 -1.649 1.00 0.38 C ATOM 0 H THR A 17 -3.568 8.653 -3.848 1.00 0.14 H new ATOM 0 HA THR A 17 -0.778 8.567 -4.245 1.00 0.19 H new ATOM 0 HB THR A 17 -2.376 7.552 -1.850 1.00 0.28 H new ATOM 0 HG1 THR A 17 -3.086 9.604 -2.168 1.00 0.68 H new ATOM 0 HG21 THR A 17 -0.372 8.269 -0.582 1.00 0.38 H new ATOM 0 HG22 THR A 17 0.046 7.032 -1.793 1.00 0.38 H new ATOM 0 HG23 THR A 17 0.421 8.744 -2.103 1.00 0.38 H new ATOM 272 N LEU A 18 -2.184 5.617 -4.030 1.00 0.21 N ATOM 273 CA LEU A 18 -1.914 4.164 -4.219 1.00 0.43 C ATOM 274 C LEU A 18 -1.100 3.967 -5.500 1.00 0.56 C ATOM 275 O LEU A 18 -0.012 3.425 -5.481 1.00 0.59 O ATOM 276 CB LEU A 18 -3.254 3.416 -4.319 1.00 0.51 C ATOM 277 CG LEU A 18 -3.038 1.910 -4.547 1.00 0.46 C ATOM 278 CD1 LEU A 18 -2.886 1.633 -6.043 1.00 1.19 C ATOM 279 CD2 LEU A 18 -1.780 1.429 -3.816 1.00 0.46 C ATOM 0 H LEU A 18 -3.168 5.864 -3.928 1.00 0.21 H new ATOM 0 HA LEU A 18 -1.347 3.772 -3.375 1.00 0.43 H new ATOM 0 HB2 LEU A 18 -3.827 3.569 -3.405 1.00 0.51 H new ATOM 0 HB3 LEU A 18 -3.843 3.829 -5.138 1.00 0.51 H new ATOM 0 HG LEU A 18 -3.902 1.374 -4.156 1.00 0.46 H new ATOM 0 HD11 LEU A 18 -2.733 0.566 -6.202 1.00 1.19 H new ATOM 0 HD12 LEU A 18 -3.788 1.952 -6.566 1.00 1.19 H new ATOM 0 HD13 LEU A 18 -2.029 2.184 -6.430 1.00 1.19 H new ATOM 0 HD21 LEU A 18 -1.644 0.361 -3.989 1.00 0.46 H new ATOM 0 HD22 LEU A 18 -0.912 1.971 -4.191 1.00 0.46 H new ATOM 0 HD23 LEU A 18 -1.888 1.612 -2.747 1.00 0.46 H new ATOM 291 N ASN A 19 -1.615 4.408 -6.616 1.00 0.76 N ATOM 292 CA ASN A 19 -0.867 4.247 -7.897 1.00 0.97 C ATOM 293 C ASN A 19 0.451 5.029 -7.844 1.00 0.89 C ATOM 294 O ASN A 19 1.381 4.737 -8.568 1.00 0.91 O ATOM 295 CB ASN A 19 -1.717 4.771 -9.056 1.00 1.18 C ATOM 296 CG ASN A 19 -1.156 4.239 -10.376 1.00 1.45 C ATOM 297 OD1 ASN A 19 -0.734 3.103 -10.456 1.00 2.17 O ATOM 298 ND2 ASN A 19 -1.130 5.019 -11.422 1.00 1.16 N ATOM 0 H ASN A 19 -2.520 4.872 -6.697 1.00 0.76 H new ATOM 0 HA ASN A 19 -0.650 3.189 -8.046 1.00 0.97 H new ATOM 0 HB2 ASN A 19 -2.753 4.455 -8.934 1.00 1.18 H new ATOM 0 HB3 ASN A 19 -1.715 5.861 -9.060 1.00 1.18 H new ATOM 0 HD21 ASN A 19 -0.755 4.674 -12.306 1.00 1.16 H new ATOM 0 HD22 ASN A 19 -1.484 5.973 -11.356 1.00 1.16 H new ATOM 305 N SER A 20 0.543 6.022 -7.001 1.00 0.81 N ATOM 306 CA SER A 20 1.804 6.813 -6.921 1.00 0.76 C ATOM 307 C SER A 20 2.936 5.936 -6.381 1.00 0.65 C ATOM 308 O SER A 20 4.066 6.027 -6.818 1.00 0.70 O ATOM 309 CB SER A 20 1.600 8.008 -5.991 1.00 0.70 C ATOM 310 OG SER A 20 2.678 8.920 -6.156 1.00 0.95 O ATOM 0 H SER A 20 -0.198 6.319 -6.366 1.00 0.81 H new ATOM 0 HA SER A 20 2.067 7.166 -7.918 1.00 0.76 H new ATOM 0 HB2 SER A 20 0.654 8.501 -6.215 1.00 0.70 H new ATOM 0 HB3 SER A 20 1.547 7.673 -4.955 1.00 0.70 H new ATOM 0 HG SER A 20 2.761 9.477 -5.354 1.00 0.95 H new ATOM 316 N LEU A 21 2.645 5.089 -5.430 1.00 0.54 N ATOM 317 CA LEU A 21 3.711 4.212 -4.861 1.00 0.47 C ATOM 318 C LEU A 21 4.247 3.255 -5.937 1.00 0.52 C ATOM 319 O LEU A 21 5.291 2.655 -5.773 1.00 0.56 O ATOM 320 CB LEU A 21 3.141 3.402 -3.690 1.00 0.46 C ATOM 321 CG LEU A 21 3.317 4.196 -2.395 1.00 0.43 C ATOM 322 CD1 LEU A 21 2.055 4.068 -1.538 1.00 0.53 C ATOM 323 CD2 LEU A 21 4.517 3.650 -1.619 1.00 0.80 C ATOM 0 H LEU A 21 1.718 4.966 -5.023 1.00 0.54 H new ATOM 0 HA LEU A 21 4.530 4.838 -4.508 1.00 0.47 H new ATOM 0 HB2 LEU A 21 2.085 3.189 -3.859 1.00 0.46 H new ATOM 0 HB3 LEU A 21 3.651 2.442 -3.614 1.00 0.46 H new ATOM 0 HG LEU A 21 3.487 5.245 -2.636 1.00 0.43 H new ATOM 0 HD11 LEU A 21 2.183 4.635 -0.616 1.00 0.53 H new ATOM 0 HD12 LEU A 21 1.200 4.459 -2.089 1.00 0.53 H new ATOM 0 HD13 LEU A 21 1.883 3.019 -1.298 1.00 0.53 H new ATOM 0 HD21 LEU A 21 4.642 4.216 -0.696 1.00 0.80 H new ATOM 0 HD22 LEU A 21 4.349 2.600 -1.380 1.00 0.80 H new ATOM 0 HD23 LEU A 21 5.417 3.744 -2.227 1.00 0.80 H new ATOM 335 N THR A 22 3.552 3.103 -7.039 1.00 0.54 N ATOM 336 CA THR A 22 4.038 2.183 -8.111 1.00 0.61 C ATOM 337 C THR A 22 4.920 2.945 -9.113 1.00 0.47 C ATOM 338 O THR A 22 5.068 2.538 -10.249 1.00 0.49 O ATOM 339 CB THR A 22 2.837 1.580 -8.846 1.00 0.91 C ATOM 340 OG1 THR A 22 2.475 2.424 -9.930 1.00 1.13 O ATOM 341 CG2 THR A 22 1.657 1.451 -7.881 1.00 2.00 C ATOM 0 H THR A 22 2.671 3.576 -7.241 1.00 0.54 H new ATOM 0 HA THR A 22 4.630 1.390 -7.654 1.00 0.61 H new ATOM 0 HB THR A 22 3.101 0.593 -9.226 1.00 0.91 H new ATOM 0 HG1 THR A 22 2.070 3.246 -9.583 1.00 1.13 H new ATOM 0 HG21 THR A 22 0.803 1.022 -8.405 1.00 2.00 H new ATOM 0 HG22 THR A 22 1.936 0.803 -7.050 1.00 2.00 H new ATOM 0 HG23 THR A 22 1.390 2.436 -7.499 1.00 2.00 H new ATOM 349 N GLU A 23 5.512 4.042 -8.711 1.00 0.68 N ATOM 350 CA GLU A 23 6.381 4.805 -9.651 1.00 0.54 C ATOM 351 C GLU A 23 7.804 4.242 -9.587 1.00 0.43 C ATOM 352 O GLU A 23 8.512 4.198 -10.574 1.00 0.34 O ATOM 353 CB GLU A 23 6.395 6.286 -9.257 1.00 0.49 C ATOM 354 CG GLU A 23 6.822 7.127 -10.463 1.00 0.42 C ATOM 355 CD GLU A 23 8.337 7.030 -10.643 1.00 2.18 C ATOM 356 OE1 GLU A 23 9.010 6.717 -9.675 1.00 3.17 O ATOM 357 OE2 GLU A 23 8.799 7.270 -11.747 1.00 3.02 O ATOM 0 H GLU A 23 5.430 4.439 -7.775 1.00 0.68 H new ATOM 0 HA GLU A 23 5.994 4.710 -10.665 1.00 0.54 H new ATOM 0 HB2 GLU A 23 5.406 6.593 -8.917 1.00 0.49 H new ATOM 0 HB3 GLU A 23 7.082 6.446 -8.426 1.00 0.49 H new ATOM 0 HG2 GLU A 23 6.315 6.776 -11.362 1.00 0.42 H new ATOM 0 HG3 GLU A 23 6.528 8.167 -10.317 1.00 0.42 H new ATOM 364 N GLN A 24 8.220 3.800 -8.433 1.00 0.47 N ATOM 365 CA GLN A 24 9.589 3.225 -8.294 1.00 0.44 C ATOM 366 C GLN A 24 9.464 1.726 -8.038 1.00 0.61 C ATOM 367 O GLN A 24 9.902 1.214 -7.026 1.00 0.74 O ATOM 368 CB GLN A 24 10.304 3.887 -7.119 1.00 0.44 C ATOM 369 CG GLN A 24 11.740 3.366 -7.029 1.00 1.30 C ATOM 370 CD GLN A 24 12.713 4.546 -7.078 1.00 0.96 C ATOM 371 OE1 GLN A 24 12.447 5.540 -7.725 1.00 0.81 O ATOM 372 NE2 GLN A 24 13.835 4.480 -6.416 1.00 1.89 N ATOM 0 H GLN A 24 7.668 3.812 -7.575 1.00 0.47 H new ATOM 0 HA GLN A 24 10.162 3.401 -9.204 1.00 0.44 H new ATOM 0 HB2 GLN A 24 10.307 4.970 -7.246 1.00 0.44 H new ATOM 0 HB3 GLN A 24 9.772 3.676 -6.191 1.00 0.44 H new ATOM 0 HG2 GLN A 24 11.878 2.805 -6.105 1.00 1.30 H new ATOM 0 HG3 GLN A 24 11.942 2.680 -7.851 1.00 1.30 H new ATOM 0 HE21 GLN A 24 14.058 3.646 -5.873 1.00 1.89 H new ATOM 0 HE22 GLN A 24 14.489 5.262 -6.441 1.00 1.89 H new ATOM 381 N LYS A 25 8.853 1.024 -8.946 1.00 0.61 N ATOM 382 CA LYS A 25 8.671 -0.444 -8.767 1.00 0.78 C ATOM 383 C LYS A 25 9.838 -1.201 -9.406 1.00 0.92 C ATOM 384 O LYS A 25 9.668 -1.913 -10.377 1.00 1.22 O ATOM 385 CB LYS A 25 7.357 -0.877 -9.426 1.00 1.13 C ATOM 386 CG LYS A 25 7.333 -0.406 -10.881 1.00 2.04 C ATOM 387 CD LYS A 25 6.809 -1.529 -11.778 1.00 2.90 C ATOM 388 CE LYS A 25 6.757 -1.042 -13.225 1.00 4.06 C ATOM 389 NZ LYS A 25 5.811 0.106 -13.330 1.00 4.26 N ATOM 0 H LYS A 25 8.468 1.404 -9.811 1.00 0.61 H new ATOM 0 HA LYS A 25 8.641 -0.673 -7.702 1.00 0.78 H new ATOM 0 HB2 LYS A 25 7.257 -1.962 -9.383 1.00 1.13 H new ATOM 0 HB3 LYS A 25 6.510 -0.457 -8.883 1.00 1.13 H new ATOM 0 HG2 LYS A 25 6.699 0.475 -10.978 1.00 2.04 H new ATOM 0 HG3 LYS A 25 8.335 -0.114 -11.195 1.00 2.04 H new ATOM 0 HD2 LYS A 25 7.456 -2.403 -11.700 1.00 2.90 H new ATOM 0 HD3 LYS A 25 5.816 -1.837 -11.451 1.00 2.90 H new ATOM 0 HE2 LYS A 25 7.751 -0.739 -13.554 1.00 4.06 H new ATOM 0 HE3 LYS A 25 6.437 -1.852 -13.881 1.00 4.06 H new ATOM 0 HZ1 LYS A 25 5.500 0.210 -14.317 1.00 4.26 H new ATOM 0 HZ2 LYS A 25 4.985 -0.068 -12.723 1.00 4.26 H new ATOM 0 HZ3 LYS A 25 6.288 0.978 -13.023 1.00 4.26 H new ATOM 403 N THR A 26 11.021 -1.061 -8.870 1.00 0.85 N ATOM 404 CA THR A 26 12.194 -1.781 -9.448 1.00 1.15 C ATOM 405 C THR A 26 13.326 -1.833 -8.418 1.00 1.16 C ATOM 406 O THR A 26 13.931 -2.862 -8.197 1.00 1.37 O ATOM 407 CB THR A 26 12.687 -1.047 -10.700 1.00 1.31 C ATOM 408 OG1 THR A 26 11.611 -0.328 -11.286 1.00 0.55 O ATOM 409 CG2 THR A 26 13.232 -2.063 -11.704 1.00 1.97 C ATOM 0 H THR A 26 11.226 -0.480 -8.057 1.00 0.85 H new ATOM 0 HA THR A 26 11.893 -2.794 -9.714 1.00 1.15 H new ATOM 0 HB THR A 26 13.478 -0.350 -10.424 1.00 1.31 H new ATOM 0 HG1 THR A 26 11.928 0.142 -12.086 1.00 0.55 H new ATOM 0 HG21 THR A 26 13.583 -1.542 -12.595 1.00 1.97 H new ATOM 0 HG22 THR A 26 14.060 -2.611 -11.254 1.00 1.97 H new ATOM 0 HG23 THR A 26 12.442 -2.762 -11.980 1.00 1.97 H new ATOM 417 N LEU A 27 13.619 -0.727 -7.790 1.00 1.02 N ATOM 418 CA LEU A 27 14.713 -0.713 -6.780 1.00 1.20 C ATOM 419 C LEU A 27 14.137 -1.037 -5.402 1.00 1.05 C ATOM 420 O LEU A 27 14.705 -1.800 -4.645 1.00 1.21 O ATOM 421 CB LEU A 27 15.357 0.676 -6.754 1.00 1.28 C ATOM 422 CG LEU A 27 16.768 0.602 -7.343 1.00 1.19 C ATOM 423 CD1 LEU A 27 16.735 1.037 -8.809 1.00 1.24 C ATOM 424 CD2 LEU A 27 17.693 1.534 -6.557 1.00 1.87 C ATOM 0 H LEU A 27 13.148 0.166 -7.933 1.00 1.02 H new ATOM 0 HA LEU A 27 15.464 -1.458 -7.041 1.00 1.20 H new ATOM 0 HB2 LEU A 27 14.751 1.379 -7.325 1.00 1.28 H new ATOM 0 HB3 LEU A 27 15.399 1.049 -5.731 1.00 1.28 H new ATOM 0 HG LEU A 27 17.136 -0.422 -7.278 1.00 1.19 H new ATOM 0 HD11 LEU A 27 17.740 0.984 -9.227 1.00 1.24 H new ATOM 0 HD12 LEU A 27 16.073 0.377 -9.370 1.00 1.24 H new ATOM 0 HD13 LEU A 27 16.368 2.061 -8.876 1.00 1.24 H new ATOM 0 HD21 LEU A 27 18.699 1.484 -6.973 1.00 1.87 H new ATOM 0 HD22 LEU A 27 17.322 2.557 -6.625 1.00 1.87 H new ATOM 0 HD23 LEU A 27 17.717 1.226 -5.512 1.00 1.87 H new ATOM 436 N CYS A 28 13.012 -0.470 -5.072 1.00 0.75 N ATOM 437 CA CYS A 28 12.401 -0.755 -3.743 1.00 0.66 C ATOM 438 C CYS A 28 11.539 -2.022 -3.824 1.00 0.44 C ATOM 439 O CYS A 28 11.150 -2.573 -2.814 1.00 0.44 O ATOM 440 CB CYS A 28 11.537 0.430 -3.304 1.00 0.61 C ATOM 441 SG CYS A 28 12.177 1.088 -1.746 1.00 1.01 S ATOM 0 H CYS A 28 12.489 0.177 -5.662 1.00 0.75 H new ATOM 0 HA CYS A 28 13.196 -0.910 -3.013 1.00 0.66 H new ATOM 0 HB2 CYS A 28 11.545 1.205 -4.070 1.00 0.61 H new ATOM 0 HB3 CYS A 28 10.501 0.114 -3.181 1.00 0.61 H new ATOM 446 N THR A 29 11.240 -2.498 -5.006 1.00 0.45 N ATOM 447 CA THR A 29 10.416 -3.735 -5.114 1.00 0.50 C ATOM 448 C THR A 29 11.331 -4.972 -5.135 1.00 0.73 C ATOM 449 O THR A 29 10.887 -6.070 -5.407 1.00 0.86 O ATOM 450 CB THR A 29 9.582 -3.688 -6.398 1.00 0.66 C ATOM 451 OG1 THR A 29 10.416 -3.338 -7.495 1.00 0.82 O ATOM 452 CG2 THR A 29 8.471 -2.647 -6.243 1.00 0.51 C ATOM 0 H THR A 29 11.529 -2.086 -5.893 1.00 0.45 H new ATOM 0 HA THR A 29 9.750 -3.798 -4.253 1.00 0.50 H new ATOM 0 HB THR A 29 9.139 -4.667 -6.582 1.00 0.66 H new ATOM 0 HG1 THR A 29 10.069 -3.750 -8.314 1.00 0.82 H new ATOM 0 HG21 THR A 29 7.876 -2.611 -7.155 1.00 0.51 H new ATOM 0 HG22 THR A 29 7.832 -2.919 -5.403 1.00 0.51 H new ATOM 0 HG23 THR A 29 8.913 -1.668 -6.060 1.00 0.51 H new ATOM 460 N GLU A 30 12.603 -4.811 -4.848 1.00 0.89 N ATOM 461 CA GLU A 30 13.527 -5.981 -4.849 1.00 1.14 C ATOM 462 C GLU A 30 13.570 -6.582 -3.440 1.00 1.11 C ATOM 463 O GLU A 30 14.614 -6.718 -2.834 1.00 1.68 O ATOM 464 CB GLU A 30 14.929 -5.521 -5.265 1.00 1.36 C ATOM 465 CG GLU A 30 15.182 -5.898 -6.727 1.00 0.87 C ATOM 466 CD GLU A 30 16.612 -6.418 -6.879 1.00 1.18 C ATOM 467 OE1 GLU A 30 17.500 -5.603 -7.070 1.00 1.93 O ATOM 468 OE2 GLU A 30 16.795 -7.622 -6.802 1.00 1.33 O ATOM 0 H GLU A 30 13.036 -3.918 -4.614 1.00 0.89 H new ATOM 0 HA GLU A 30 13.176 -6.734 -5.554 1.00 1.14 H new ATOM 0 HB2 GLU A 30 15.022 -4.443 -5.136 1.00 1.36 H new ATOM 0 HB3 GLU A 30 15.679 -5.984 -4.625 1.00 1.36 H new ATOM 0 HG2 GLU A 30 14.471 -6.660 -7.046 1.00 0.87 H new ATOM 0 HG3 GLU A 30 15.029 -5.031 -7.369 1.00 0.87 H new ATOM 475 N LEU A 31 12.431 -6.942 -2.922 1.00 0.57 N ATOM 476 CA LEU A 31 12.369 -7.538 -1.562 1.00 0.51 C ATOM 477 C LEU A 31 11.011 -8.214 -1.396 1.00 0.48 C ATOM 478 O LEU A 31 10.011 -7.568 -1.152 1.00 1.15 O ATOM 479 CB LEU A 31 12.540 -6.446 -0.497 1.00 0.57 C ATOM 480 CG LEU A 31 11.797 -5.172 -0.914 1.00 1.23 C ATOM 481 CD1 LEU A 31 10.901 -4.712 0.237 1.00 1.96 C ATOM 482 CD2 LEU A 31 12.809 -4.070 -1.239 1.00 1.89 C ATOM 0 H LEU A 31 11.529 -6.847 -3.390 1.00 0.57 H new ATOM 0 HA LEU A 31 13.171 -8.266 -1.440 1.00 0.51 H new ATOM 0 HB2 LEU A 31 12.158 -6.800 0.461 1.00 0.57 H new ATOM 0 HB3 LEU A 31 13.599 -6.228 -0.357 1.00 0.57 H new ATOM 0 HG LEU A 31 11.189 -5.377 -1.795 1.00 1.23 H new ATOM 0 HD11 LEU A 31 10.370 -3.806 -0.055 1.00 1.96 H new ATOM 0 HD12 LEU A 31 10.180 -5.495 0.472 1.00 1.96 H new ATOM 0 HD13 LEU A 31 11.513 -4.507 1.115 1.00 1.96 H new ATOM 0 HD21 LEU A 31 12.279 -3.165 -1.535 1.00 1.89 H new ATOM 0 HD22 LEU A 31 13.417 -3.863 -0.358 1.00 1.89 H new ATOM 0 HD23 LEU A 31 13.453 -4.397 -2.055 1.00 1.89 H new ATOM 494 N THR A 32 10.975 -9.510 -1.557 1.00 0.47 N ATOM 495 CA THR A 32 9.692 -10.269 -1.442 1.00 0.25 C ATOM 496 C THR A 32 8.912 -9.835 -0.201 1.00 0.27 C ATOM 497 O THR A 32 9.477 -9.456 0.806 1.00 0.39 O ATOM 498 CB THR A 32 10.002 -11.762 -1.373 1.00 0.26 C ATOM 499 OG1 THR A 32 10.932 -12.005 -0.326 1.00 0.58 O ATOM 500 CG2 THR A 32 10.601 -12.206 -2.710 1.00 0.30 C ATOM 0 H THR A 32 11.791 -10.084 -1.766 1.00 0.47 H new ATOM 0 HA THR A 32 9.075 -10.060 -2.316 1.00 0.25 H new ATOM 0 HB THR A 32 9.088 -12.323 -1.176 1.00 0.26 H new ATOM 0 HG1 THR A 32 11.130 -12.964 -0.280 1.00 0.58 H new ATOM 0 HG21 THR A 32 10.826 -13.272 -2.672 1.00 0.30 H new ATOM 0 HG22 THR A 32 9.886 -12.015 -3.510 1.00 0.30 H new ATOM 0 HG23 THR A 32 11.518 -11.648 -2.901 1.00 0.30 H new ATOM 508 N VAL A 33 7.610 -9.877 -0.279 1.00 0.17 N ATOM 509 CA VAL A 33 6.770 -9.462 0.875 1.00 0.23 C ATOM 510 C VAL A 33 5.542 -10.365 0.940 1.00 0.21 C ATOM 511 O VAL A 33 5.272 -11.116 0.029 1.00 0.69 O ATOM 512 CB VAL A 33 6.330 -8.010 0.681 1.00 0.43 C ATOM 513 CG1 VAL A 33 7.488 -7.203 0.090 1.00 0.71 C ATOM 514 CG2 VAL A 33 5.138 -7.965 -0.277 1.00 0.37 C ATOM 0 H VAL A 33 7.090 -10.184 -1.101 1.00 0.17 H new ATOM 0 HA VAL A 33 7.338 -9.546 1.802 1.00 0.23 H new ATOM 0 HB VAL A 33 6.042 -7.584 1.642 1.00 0.43 H new ATOM 0 HG11 VAL A 33 7.176 -6.168 -0.049 1.00 0.71 H new ATOM 0 HG12 VAL A 33 8.340 -7.237 0.769 1.00 0.71 H new ATOM 0 HG13 VAL A 33 7.774 -7.628 -0.872 1.00 0.71 H new ATOM 0 HG21 VAL A 33 4.822 -6.931 -0.417 1.00 0.37 H new ATOM 0 HG22 VAL A 33 5.428 -8.389 -1.238 1.00 0.37 H new ATOM 0 HG23 VAL A 33 4.313 -8.543 0.141 1.00 0.37 H new ATOM 524 N THR A 34 4.801 -10.308 2.007 1.00 0.63 N ATOM 525 CA THR A 34 3.600 -11.182 2.120 1.00 0.59 C ATOM 526 C THR A 34 2.653 -10.934 0.949 1.00 0.58 C ATOM 527 O THR A 34 2.443 -9.816 0.523 1.00 0.62 O ATOM 528 CB THR A 34 2.862 -10.871 3.427 1.00 0.63 C ATOM 529 OG1 THR A 34 3.233 -11.817 4.419 1.00 0.95 O ATOM 530 CG2 THR A 34 1.347 -10.933 3.199 1.00 0.43 C ATOM 0 H THR A 34 4.972 -9.696 2.805 1.00 0.63 H new ATOM 0 HA THR A 34 3.923 -12.223 2.110 1.00 0.59 H new ATOM 0 HB THR A 34 3.132 -9.869 3.761 1.00 0.63 H new ATOM 0 HG1 THR A 34 2.762 -11.616 5.255 1.00 0.95 H new ATOM 0 HG21 THR A 34 0.829 -10.711 4.132 1.00 0.43 H new ATOM 0 HG22 THR A 34 1.063 -10.201 2.443 1.00 0.43 H new ATOM 0 HG23 THR A 34 1.071 -11.931 2.859 1.00 0.43 H new ATOM 538 N ASP A 35 2.050 -11.979 0.453 1.00 0.57 N ATOM 539 CA ASP A 35 1.081 -11.823 -0.659 1.00 0.57 C ATOM 540 C ASP A 35 -0.319 -12.007 -0.080 1.00 0.45 C ATOM 541 O ASP A 35 -0.577 -12.941 0.655 1.00 0.65 O ATOM 542 CB ASP A 35 1.350 -12.876 -1.740 1.00 0.65 C ATOM 543 CG ASP A 35 0.236 -13.923 -1.744 1.00 1.63 C ATOM 544 OD1 ASP A 35 0.242 -14.771 -0.867 1.00 3.03 O ATOM 545 OD2 ASP A 35 -0.605 -13.861 -2.627 1.00 1.65 O ATOM 0 H ASP A 35 2.190 -12.937 0.774 1.00 0.57 H new ATOM 0 HA ASP A 35 1.177 -10.838 -1.116 1.00 0.57 H new ATOM 0 HB2 ASP A 35 1.413 -12.397 -2.717 1.00 0.65 H new ATOM 0 HB3 ASP A 35 2.311 -13.357 -1.558 1.00 0.65 H new ATOM 550 N ILE A 36 -1.219 -11.115 -0.374 1.00 0.22 N ATOM 551 CA ILE A 36 -2.588 -11.239 0.194 1.00 0.20 C ATOM 552 C ILE A 36 -3.608 -11.497 -0.926 1.00 0.32 C ATOM 553 O ILE A 36 -4.795 -11.305 -0.754 1.00 0.38 O ATOM 554 CB ILE A 36 -2.922 -9.948 0.952 1.00 0.20 C ATOM 555 CG1 ILE A 36 -3.491 -8.898 -0.009 1.00 0.26 C ATOM 556 CG2 ILE A 36 -1.645 -9.400 1.596 1.00 0.31 C ATOM 557 CD1 ILE A 36 -3.542 -7.541 0.698 1.00 0.34 C ATOM 0 H ILE A 36 -1.068 -10.309 -0.980 1.00 0.22 H new ATOM 0 HA ILE A 36 -2.631 -12.084 0.882 1.00 0.20 H new ATOM 0 HB ILE A 36 -3.666 -10.168 1.718 1.00 0.20 H new ATOM 0 HG12 ILE A 36 -2.871 -8.832 -0.903 1.00 0.26 H new ATOM 0 HG13 ILE A 36 -4.490 -9.189 -0.335 1.00 0.26 H new ATOM 0 HG21 ILE A 36 -1.875 -8.482 2.137 1.00 0.31 H new ATOM 0 HG22 ILE A 36 -1.242 -10.138 2.289 1.00 0.31 H new ATOM 0 HG23 ILE A 36 -0.908 -9.189 0.821 1.00 0.31 H new ATOM 0 HD11 ILE A 36 -3.946 -6.791 0.018 1.00 0.34 H new ATOM 0 HD12 ILE A 36 -4.180 -7.613 1.579 1.00 0.34 H new ATOM 0 HD13 ILE A 36 -2.536 -7.251 1.002 1.00 0.34 H new ATOM 569 N PHE A 37 -3.159 -11.955 -2.068 1.00 0.44 N ATOM 570 CA PHE A 37 -4.108 -12.240 -3.181 1.00 0.60 C ATOM 571 C PHE A 37 -3.993 -13.714 -3.578 1.00 0.73 C ATOM 572 O PHE A 37 -4.195 -14.076 -4.720 1.00 0.89 O ATOM 573 CB PHE A 37 -3.763 -11.360 -4.384 1.00 0.63 C ATOM 574 CG PHE A 37 -3.962 -9.909 -4.017 1.00 0.47 C ATOM 575 CD1 PHE A 37 -5.247 -9.352 -4.036 1.00 0.78 C ATOM 576 CD2 PHE A 37 -2.863 -9.120 -3.657 1.00 0.21 C ATOM 577 CE1 PHE A 37 -5.431 -8.007 -3.696 1.00 0.84 C ATOM 578 CE2 PHE A 37 -3.048 -7.774 -3.318 1.00 0.19 C ATOM 579 CZ PHE A 37 -4.332 -7.218 -3.338 1.00 0.56 C ATOM 0 H PHE A 37 -2.178 -12.143 -2.275 1.00 0.44 H new ATOM 0 HA PHE A 37 -5.126 -12.027 -2.856 1.00 0.60 H new ATOM 0 HB2 PHE A 37 -2.731 -11.531 -4.690 1.00 0.63 H new ATOM 0 HB3 PHE A 37 -4.394 -11.622 -5.233 1.00 0.63 H new ATOM 0 HD1 PHE A 37 -6.095 -9.960 -4.313 1.00 0.78 H new ATOM 0 HD2 PHE A 37 -1.872 -9.550 -3.641 1.00 0.21 H new ATOM 0 HE1 PHE A 37 -6.422 -7.578 -3.710 1.00 0.84 H new ATOM 0 HE2 PHE A 37 -2.200 -7.165 -3.041 1.00 0.19 H new ATOM 0 HZ PHE A 37 -4.475 -6.180 -3.077 1.00 0.56 H new ATOM 589 N ALA A 38 -3.665 -14.565 -2.645 1.00 0.67 N ATOM 590 CA ALA A 38 -3.533 -16.013 -2.969 1.00 0.82 C ATOM 591 C ALA A 38 -4.757 -16.768 -2.452 1.00 0.91 C ATOM 592 O ALA A 38 -5.529 -17.316 -3.215 1.00 0.45 O ATOM 593 CB ALA A 38 -2.272 -16.572 -2.306 1.00 0.93 C ATOM 0 H ALA A 38 -3.483 -14.320 -1.672 1.00 0.67 H new ATOM 0 HA ALA A 38 -3.461 -16.136 -4.050 1.00 0.82 H new ATOM 0 HB1 ALA A 38 -2.175 -17.632 -2.543 1.00 0.93 H new ATOM 0 HB2 ALA A 38 -1.398 -16.036 -2.676 1.00 0.93 H new ATOM 0 HB3 ALA A 38 -2.343 -16.447 -1.226 1.00 0.93 H new ATOM 599 N ALA A 39 -4.938 -16.804 -1.163 1.00 1.57 N ATOM 600 CA ALA A 39 -6.110 -17.527 -0.595 1.00 1.74 C ATOM 601 C ALA A 39 -6.924 -16.573 0.284 1.00 2.04 C ATOM 602 O ALA A 39 -6.730 -16.500 1.481 1.00 2.53 O ATOM 603 CB ALA A 39 -5.620 -18.706 0.248 1.00 2.05 C ATOM 0 H ALA A 39 -4.325 -16.364 -0.477 1.00 1.57 H new ATOM 0 HA ALA A 39 -6.738 -17.895 -1.406 1.00 1.74 H new ATOM 0 HB1 ALA A 39 -6.476 -19.236 0.665 1.00 2.05 H new ATOM 0 HB2 ALA A 39 -5.042 -19.386 -0.378 1.00 2.05 H new ATOM 0 HB3 ALA A 39 -4.992 -18.337 1.059 1.00 2.05 H new ATOM 609 N SER A 40 -7.834 -15.844 -0.302 1.00 1.80 N ATOM 610 CA SER A 40 -8.662 -14.897 0.499 1.00 2.13 C ATOM 611 C SER A 40 -9.674 -14.210 -0.418 1.00 1.84 C ATOM 612 O SER A 40 -9.595 -13.023 -0.669 1.00 2.90 O ATOM 613 CB SER A 40 -7.757 -13.845 1.142 1.00 3.62 C ATOM 614 OG SER A 40 -7.403 -14.268 2.453 1.00 5.11 O ATOM 0 H SER A 40 -8.040 -15.863 -1.301 1.00 1.80 H new ATOM 0 HA SER A 40 -9.190 -15.444 1.280 1.00 2.13 H new ATOM 0 HB2 SER A 40 -6.860 -13.702 0.539 1.00 3.62 H new ATOM 0 HB3 SER A 40 -8.270 -12.884 1.183 1.00 3.62 H new ATOM 0 HG SER A 40 -7.071 -15.190 2.421 1.00 5.11 H new ATOM 620 N LYS A 41 -10.627 -14.946 -0.921 1.00 1.69 N ATOM 621 CA LYS A 41 -11.645 -14.338 -1.823 1.00 2.58 C ATOM 622 C LYS A 41 -12.932 -14.081 -1.038 1.00 2.15 C ATOM 623 O LYS A 41 -14.022 -14.221 -1.556 1.00 2.21 O ATOM 624 CB LYS A 41 -11.938 -15.297 -2.980 1.00 3.81 C ATOM 625 CG LYS A 41 -10.642 -15.983 -3.419 1.00 4.39 C ATOM 626 CD LYS A 41 -10.907 -16.829 -4.666 1.00 5.66 C ATOM 627 CE LYS A 41 -9.662 -16.833 -5.555 1.00 6.83 C ATOM 628 NZ LYS A 41 -8.588 -17.633 -4.902 1.00 7.07 N ATOM 0 H LYS A 41 -10.744 -15.944 -0.746 1.00 1.69 H new ATOM 0 HA LYS A 41 -11.265 -13.396 -2.218 1.00 2.58 H new ATOM 0 HB2 LYS A 41 -12.670 -16.043 -2.671 1.00 3.81 H new ATOM 0 HB3 LYS A 41 -12.374 -14.751 -3.817 1.00 3.81 H new ATOM 0 HG2 LYS A 41 -9.876 -15.236 -3.630 1.00 4.39 H new ATOM 0 HG3 LYS A 41 -10.261 -16.612 -2.615 1.00 4.39 H new ATOM 0 HD2 LYS A 41 -11.165 -17.848 -4.379 1.00 5.66 H new ATOM 0 HD3 LYS A 41 -11.758 -16.428 -5.216 1.00 5.66 H new ATOM 0 HE2 LYS A 41 -9.901 -17.254 -6.532 1.00 6.83 H new ATOM 0 HE3 LYS A 41 -9.319 -15.812 -5.723 1.00 6.83 H new ATOM 0 HZ1 LYS A 41 -7.772 -17.707 -5.543 1.00 7.07 H new ATOM 0 HZ2 LYS A 41 -8.295 -17.166 -4.020 1.00 7.07 H new ATOM 0 HZ3 LYS A 41 -8.947 -18.585 -4.687 1.00 7.07 H new ATOM 642 N ASP A 42 -12.819 -13.710 0.208 1.00 1.77 N ATOM 643 CA ASP A 42 -14.041 -13.448 1.020 1.00 1.49 C ATOM 644 C ASP A 42 -13.737 -12.386 2.079 1.00 0.99 C ATOM 645 O ASP A 42 -14.086 -12.530 3.233 1.00 1.21 O ATOM 646 CB ASP A 42 -14.484 -14.741 1.709 1.00 1.93 C ATOM 647 CG ASP A 42 -16.006 -14.740 1.863 1.00 1.38 C ATOM 648 OD1 ASP A 42 -16.684 -14.816 0.852 1.00 2.47 O ATOM 649 OD2 ASP A 42 -16.468 -14.661 2.990 1.00 0.29 O ATOM 0 H ASP A 42 -11.935 -13.577 0.698 1.00 1.77 H new ATOM 0 HA ASP A 42 -14.838 -13.091 0.367 1.00 1.49 H new ATOM 0 HB2 ASP A 42 -14.167 -15.604 1.124 1.00 1.93 H new ATOM 0 HB3 ASP A 42 -14.009 -14.826 2.686 1.00 1.93 H new ATOM 654 N THR A 43 -13.090 -11.320 1.695 1.00 0.58 N ATOM 655 CA THR A 43 -12.768 -10.252 2.682 1.00 0.25 C ATOM 656 C THR A 43 -13.407 -8.937 2.233 1.00 0.41 C ATOM 657 O THR A 43 -13.545 -8.675 1.055 1.00 0.51 O ATOM 658 CB THR A 43 -11.250 -10.078 2.766 1.00 0.40 C ATOM 659 OG1 THR A 43 -10.720 -9.935 1.455 1.00 0.80 O ATOM 660 CG2 THR A 43 -10.632 -11.304 3.438 1.00 0.49 C ATOM 0 H THR A 43 -12.771 -11.143 0.742 1.00 0.58 H new ATOM 0 HA THR A 43 -13.157 -10.531 3.661 1.00 0.25 H new ATOM 0 HB THR A 43 -11.016 -9.189 3.352 1.00 0.40 H new ATOM 0 HG1 THR A 43 -10.363 -9.029 1.343 1.00 0.80 H new ATOM 0 HG21 THR A 43 -9.551 -11.180 3.498 1.00 0.49 H new ATOM 0 HG22 THR A 43 -11.041 -11.413 4.443 1.00 0.49 H new ATOM 0 HG23 THR A 43 -10.863 -12.195 2.854 1.00 0.49 H new ATOM 668 N THR A 44 -13.793 -8.105 3.161 1.00 0.90 N ATOM 669 CA THR A 44 -14.418 -6.808 2.778 1.00 1.21 C ATOM 670 C THR A 44 -13.319 -5.780 2.517 1.00 1.18 C ATOM 671 O THR A 44 -12.152 -6.113 2.460 1.00 1.21 O ATOM 672 CB THR A 44 -15.330 -6.314 3.905 1.00 1.57 C ATOM 673 OG1 THR A 44 -15.531 -7.360 4.847 1.00 1.63 O ATOM 674 CG2 THR A 44 -16.677 -5.890 3.321 1.00 1.76 C ATOM 0 H THR A 44 -13.703 -8.266 4.164 1.00 0.90 H new ATOM 0 HA THR A 44 -15.014 -6.945 1.876 1.00 1.21 H new ATOM 0 HB THR A 44 -14.864 -5.463 4.402 1.00 1.57 H new ATOM 0 HG1 THR A 44 -16.113 -7.043 5.569 1.00 1.63 H new ATOM 0 HG21 THR A 44 -17.327 -5.538 4.123 1.00 1.76 H new ATOM 0 HG22 THR A 44 -16.524 -5.088 2.599 1.00 1.76 H new ATOM 0 HG23 THR A 44 -17.142 -6.741 2.824 1.00 1.76 H new ATOM 682 N GLU A 45 -13.671 -4.534 2.351 1.00 1.15 N ATOM 683 CA GLU A 45 -12.623 -3.508 2.090 1.00 1.11 C ATOM 684 C GLU A 45 -11.926 -3.135 3.399 1.00 1.05 C ATOM 685 O GLU A 45 -10.761 -2.820 3.413 1.00 0.97 O ATOM 686 CB GLU A 45 -13.246 -2.253 1.462 1.00 1.18 C ATOM 687 CG GLU A 45 -14.434 -1.779 2.303 1.00 1.25 C ATOM 688 CD GLU A 45 -15.698 -1.769 1.441 1.00 1.66 C ATOM 689 OE1 GLU A 45 -16.059 -2.823 0.944 1.00 2.61 O ATOM 690 OE2 GLU A 45 -16.283 -0.708 1.294 1.00 1.60 O ATOM 0 H GLU A 45 -14.629 -4.185 2.384 1.00 1.15 H new ATOM 0 HA GLU A 45 -11.893 -3.924 1.395 1.00 1.11 H new ATOM 0 HB2 GLU A 45 -12.499 -1.462 1.394 1.00 1.18 H new ATOM 0 HB3 GLU A 45 -13.574 -2.470 0.445 1.00 1.18 H new ATOM 0 HG2 GLU A 45 -14.571 -2.437 3.161 1.00 1.25 H new ATOM 0 HG3 GLU A 45 -14.240 -0.780 2.695 1.00 1.25 H new ATOM 697 N LYS A 46 -12.616 -3.168 4.503 1.00 1.10 N ATOM 698 CA LYS A 46 -11.951 -2.805 5.786 1.00 1.06 C ATOM 699 C LYS A 46 -11.055 -3.959 6.245 1.00 1.00 C ATOM 700 O LYS A 46 -10.052 -3.755 6.903 1.00 1.09 O ATOM 701 CB LYS A 46 -13.012 -2.500 6.846 1.00 1.14 C ATOM 702 CG LYS A 46 -13.732 -3.790 7.251 1.00 1.23 C ATOM 703 CD LYS A 46 -13.131 -4.331 8.550 1.00 2.44 C ATOM 704 CE LYS A 46 -14.257 -4.680 9.527 1.00 2.54 C ATOM 705 NZ LYS A 46 -15.050 -5.818 8.983 1.00 2.92 N ATOM 0 H LYS A 46 -13.600 -3.427 4.574 1.00 1.10 H new ATOM 0 HA LYS A 46 -11.335 -1.918 5.640 1.00 1.06 H new ATOM 0 HB2 LYS A 46 -12.545 -2.044 7.719 1.00 1.14 H new ATOM 0 HB3 LYS A 46 -13.731 -1.779 6.456 1.00 1.14 H new ATOM 0 HG2 LYS A 46 -14.796 -3.597 7.384 1.00 1.23 H new ATOM 0 HG3 LYS A 46 -13.640 -4.533 6.459 1.00 1.23 H new ATOM 0 HD2 LYS A 46 -12.527 -5.215 8.343 1.00 2.44 H new ATOM 0 HD3 LYS A 46 -12.468 -3.588 8.993 1.00 2.44 H new ATOM 0 HE2 LYS A 46 -13.841 -4.944 10.499 1.00 2.54 H new ATOM 0 HE3 LYS A 46 -14.901 -3.814 9.681 1.00 2.54 H new ATOM 0 HZ1 LYS A 46 -16.048 -5.538 8.902 1.00 2.92 H new ATOM 0 HZ2 LYS A 46 -14.686 -6.077 8.044 1.00 2.92 H new ATOM 0 HZ3 LYS A 46 -14.970 -6.634 9.623 1.00 2.92 H new ATOM 719 N GLU A 47 -11.395 -5.169 5.891 1.00 0.85 N ATOM 720 CA GLU A 47 -10.551 -6.327 6.301 1.00 0.81 C ATOM 721 C GLU A 47 -9.291 -6.361 5.434 1.00 0.79 C ATOM 722 O GLU A 47 -8.186 -6.446 5.929 1.00 0.76 O ATOM 723 CB GLU A 47 -11.340 -7.625 6.111 1.00 0.75 C ATOM 724 CG GLU A 47 -12.470 -7.688 7.141 1.00 1.18 C ATOM 725 CD GLU A 47 -12.843 -9.148 7.403 1.00 1.32 C ATOM 726 OE1 GLU A 47 -12.119 -9.803 8.134 1.00 1.31 O ATOM 727 OE2 GLU A 47 -13.848 -9.587 6.868 1.00 2.34 O ATOM 0 H GLU A 47 -12.218 -5.405 5.337 1.00 0.85 H new ATOM 0 HA GLU A 47 -10.271 -6.226 7.350 1.00 0.81 H new ATOM 0 HB2 GLU A 47 -11.750 -7.670 5.102 1.00 0.75 H new ATOM 0 HB3 GLU A 47 -10.680 -8.485 6.226 1.00 0.75 H new ATOM 0 HG2 GLU A 47 -12.157 -7.210 8.069 1.00 1.18 H new ATOM 0 HG3 GLU A 47 -13.339 -7.140 6.777 1.00 1.18 H new ATOM 734 N THR A 48 -9.452 -6.286 4.142 1.00 0.80 N ATOM 735 CA THR A 48 -8.268 -6.305 3.236 1.00 0.77 C ATOM 736 C THR A 48 -7.477 -4.998 3.386 1.00 0.71 C ATOM 737 O THR A 48 -6.318 -4.927 3.031 1.00 0.62 O ATOM 738 CB THR A 48 -8.741 -6.451 1.789 1.00 0.85 C ATOM 739 OG1 THR A 48 -9.896 -7.277 1.751 1.00 1.15 O ATOM 740 CG2 THR A 48 -7.630 -7.083 0.951 1.00 1.24 C ATOM 0 H THR A 48 -10.355 -6.212 3.673 1.00 0.80 H new ATOM 0 HA THR A 48 -7.625 -7.145 3.499 1.00 0.77 H new ATOM 0 HB THR A 48 -8.985 -5.469 1.384 1.00 0.85 H new ATOM 0 HG1 THR A 48 -10.697 -6.716 1.681 1.00 1.15 H new ATOM 0 HG21 THR A 48 -7.967 -7.187 -0.080 1.00 1.24 H new ATOM 0 HG22 THR A 48 -6.745 -6.447 0.981 1.00 1.24 H new ATOM 0 HG23 THR A 48 -7.385 -8.066 1.354 1.00 1.24 H new ATOM 748 N PHE A 49 -8.088 -3.964 3.903 1.00 0.78 N ATOM 749 CA PHE A 49 -7.359 -2.673 4.066 1.00 0.75 C ATOM 750 C PHE A 49 -6.394 -2.780 5.252 1.00 0.54 C ATOM 751 O PHE A 49 -5.273 -2.317 5.192 1.00 0.43 O ATOM 752 CB PHE A 49 -8.373 -1.555 4.326 1.00 0.93 C ATOM 753 CG PHE A 49 -8.765 -0.899 3.019 1.00 0.85 C ATOM 754 CD1 PHE A 49 -8.908 -1.671 1.858 1.00 0.78 C ATOM 755 CD2 PHE A 49 -9.017 0.478 2.974 1.00 2.03 C ATOM 756 CE1 PHE A 49 -9.301 -1.068 0.658 1.00 0.61 C ATOM 757 CE2 PHE A 49 -9.405 1.081 1.771 1.00 2.11 C ATOM 758 CZ PHE A 49 -9.548 0.307 0.613 1.00 0.90 C ATOM 0 H PHE A 49 -9.058 -3.958 4.218 1.00 0.78 H new ATOM 0 HA PHE A 49 -6.794 -2.450 3.161 1.00 0.75 H new ATOM 0 HB2 PHE A 49 -9.257 -1.961 4.818 1.00 0.93 H new ATOM 0 HB3 PHE A 49 -7.945 -0.814 5.001 1.00 0.93 H new ATOM 0 HD1 PHE A 49 -8.715 -2.733 1.890 1.00 0.78 H new ATOM 0 HD2 PHE A 49 -8.912 1.075 3.868 1.00 2.03 H new ATOM 0 HE1 PHE A 49 -9.414 -1.666 -0.234 1.00 0.61 H new ATOM 0 HE2 PHE A 49 -9.594 2.144 1.736 1.00 2.11 H new ATOM 0 HZ PHE A 49 -9.849 0.772 -0.314 1.00 0.90 H new ATOM 768 N CYS A 50 -6.817 -3.389 6.330 1.00 0.53 N ATOM 769 CA CYS A 50 -5.914 -3.520 7.512 1.00 0.39 C ATOM 770 C CYS A 50 -4.846 -4.582 7.233 1.00 0.35 C ATOM 771 O CYS A 50 -3.725 -4.477 7.685 1.00 0.36 O ATOM 772 CB CYS A 50 -6.724 -3.938 8.742 1.00 0.54 C ATOM 773 SG CYS A 50 -5.599 -4.184 10.142 1.00 1.33 S ATOM 0 H CYS A 50 -7.744 -3.799 6.443 1.00 0.53 H new ATOM 0 HA CYS A 50 -5.436 -2.558 7.698 1.00 0.39 H new ATOM 0 HB2 CYS A 50 -7.462 -3.173 8.983 1.00 0.54 H new ATOM 0 HB3 CYS A 50 -7.273 -4.857 8.536 1.00 0.54 H new ATOM 778 N ARG A 51 -5.184 -5.606 6.496 1.00 0.36 N ATOM 779 CA ARG A 51 -4.183 -6.671 6.194 1.00 0.39 C ATOM 780 C ARG A 51 -3.067 -6.080 5.331 1.00 0.41 C ATOM 781 O ARG A 51 -1.897 -6.174 5.653 1.00 0.45 O ATOM 782 CB ARG A 51 -4.862 -7.814 5.435 1.00 0.47 C ATOM 783 CG ARG A 51 -4.902 -9.064 6.318 1.00 0.40 C ATOM 784 CD ARG A 51 -5.518 -10.224 5.531 1.00 0.76 C ATOM 785 NE ARG A 51 -5.406 -11.483 6.328 1.00 1.19 N ATOM 786 CZ ARG A 51 -6.097 -12.553 6.004 1.00 1.32 C ATOM 787 NH1 ARG A 51 -6.906 -12.555 4.971 1.00 1.09 N ATOM 788 NH2 ARG A 51 -5.972 -13.637 6.721 1.00 1.88 N ATOM 0 H ARG A 51 -6.108 -5.751 6.090 1.00 0.36 H new ATOM 0 HA ARG A 51 -3.766 -7.055 7.125 1.00 0.39 H new ATOM 0 HB2 ARG A 51 -5.874 -7.525 5.151 1.00 0.47 H new ATOM 0 HB3 ARG A 51 -4.320 -8.025 4.513 1.00 0.47 H new ATOM 0 HG2 ARG A 51 -3.895 -9.325 6.643 1.00 0.40 H new ATOM 0 HG3 ARG A 51 -5.487 -8.869 7.217 1.00 0.40 H new ATOM 0 HD2 ARG A 51 -6.564 -10.013 5.311 1.00 0.76 H new ATOM 0 HD3 ARG A 51 -5.008 -10.340 4.575 1.00 0.76 H new ATOM 0 HE ARG A 51 -4.784 -11.512 7.136 1.00 1.19 H new ATOM 0 HH11 ARG A 51 -7.008 -11.715 4.402 1.00 1.09 H new ATOM 0 HH12 ARG A 51 -7.433 -13.397 4.737 1.00 1.09 H new ATOM 0 HH21 ARG A 51 -5.343 -13.648 7.524 1.00 1.88 H new ATOM 0 HH22 ARG A 51 -6.504 -14.473 6.478 1.00 1.88 H new ATOM 802 N ALA A 52 -3.422 -5.462 4.239 1.00 0.42 N ATOM 803 CA ALA A 52 -2.386 -4.855 3.363 1.00 0.43 C ATOM 804 C ALA A 52 -1.657 -3.762 4.143 1.00 0.41 C ATOM 805 O ALA A 52 -0.503 -3.481 3.899 1.00 0.53 O ATOM 806 CB ALA A 52 -3.048 -4.246 2.127 1.00 0.44 C ATOM 0 H ALA A 52 -4.384 -5.352 3.917 1.00 0.42 H new ATOM 0 HA ALA A 52 -1.677 -5.620 3.047 1.00 0.43 H new ATOM 0 HB1 ALA A 52 -2.285 -3.802 1.487 1.00 0.44 H new ATOM 0 HB2 ALA A 52 -3.576 -5.025 1.576 1.00 0.44 H new ATOM 0 HB3 ALA A 52 -3.756 -3.477 2.435 1.00 0.44 H new ATOM 812 N ALA A 53 -2.322 -3.146 5.087 1.00 0.30 N ATOM 813 CA ALA A 53 -1.659 -2.078 5.888 1.00 0.32 C ATOM 814 C ALA A 53 -0.581 -2.717 6.761 1.00 0.46 C ATOM 815 O ALA A 53 0.444 -2.125 7.028 1.00 0.53 O ATOM 816 CB ALA A 53 -2.696 -1.382 6.772 1.00 0.26 C ATOM 0 H ALA A 53 -3.293 -3.337 5.336 1.00 0.30 H new ATOM 0 HA ALA A 53 -1.207 -1.341 5.224 1.00 0.32 H new ATOM 0 HB1 ALA A 53 -2.210 -0.601 7.357 1.00 0.26 H new ATOM 0 HB2 ALA A 53 -3.469 -0.938 6.145 1.00 0.26 H new ATOM 0 HB3 ALA A 53 -3.149 -2.111 7.444 1.00 0.26 H new ATOM 822 N THR A 54 -0.798 -3.929 7.196 1.00 0.51 N ATOM 823 CA THR A 54 0.227 -4.612 8.032 1.00 0.65 C ATOM 824 C THR A 54 1.471 -4.823 7.174 1.00 0.60 C ATOM 825 O THR A 54 2.588 -4.576 7.594 1.00 0.69 O ATOM 826 CB THR A 54 -0.311 -5.967 8.502 1.00 0.76 C ATOM 827 OG1 THR A 54 -1.068 -5.785 9.689 1.00 0.83 O ATOM 828 CG2 THR A 54 0.855 -6.917 8.777 1.00 0.90 C ATOM 0 H THR A 54 -1.640 -4.474 7.008 1.00 0.51 H new ATOM 0 HA THR A 54 0.467 -4.008 8.907 1.00 0.65 H new ATOM 0 HB THR A 54 -0.946 -6.395 7.726 1.00 0.76 H new ATOM 0 HG1 THR A 54 -1.602 -6.588 9.863 1.00 0.83 H new ATOM 0 HG21 THR A 54 0.469 -7.880 9.111 1.00 0.90 H new ATOM 0 HG22 THR A 54 1.435 -7.055 7.864 1.00 0.90 H new ATOM 0 HG23 THR A 54 1.494 -6.494 9.552 1.00 0.90 H new ATOM 836 N VAL A 55 1.282 -5.255 5.957 1.00 0.47 N ATOM 837 CA VAL A 55 2.447 -5.452 5.056 1.00 0.41 C ATOM 838 C VAL A 55 3.075 -4.085 4.763 1.00 0.34 C ATOM 839 O VAL A 55 4.254 -3.977 4.494 1.00 0.36 O ATOM 840 CB VAL A 55 1.985 -6.097 3.748 1.00 0.38 C ATOM 841 CG1 VAL A 55 3.151 -6.127 2.758 1.00 0.41 C ATOM 842 CG2 VAL A 55 1.517 -7.528 4.025 1.00 0.51 C ATOM 0 H VAL A 55 0.373 -5.479 5.551 1.00 0.47 H new ATOM 0 HA VAL A 55 3.179 -6.105 5.532 1.00 0.41 H new ATOM 0 HB VAL A 55 1.163 -5.519 3.326 1.00 0.38 H new ATOM 0 HG11 VAL A 55 2.824 -6.586 1.825 1.00 0.41 H new ATOM 0 HG12 VAL A 55 3.489 -5.109 2.563 1.00 0.41 H new ATOM 0 HG13 VAL A 55 3.972 -6.707 3.180 1.00 0.41 H new ATOM 0 HG21 VAL A 55 1.187 -7.990 3.094 1.00 0.51 H new ATOM 0 HG22 VAL A 55 2.341 -8.105 4.444 1.00 0.51 H new ATOM 0 HG23 VAL A 55 0.689 -7.509 4.734 1.00 0.51 H new ATOM 852 N LEU A 56 2.289 -3.037 4.825 1.00 0.32 N ATOM 853 CA LEU A 56 2.828 -1.674 4.566 1.00 0.37 C ATOM 854 C LEU A 56 3.599 -1.191 5.798 1.00 0.50 C ATOM 855 O LEU A 56 4.442 -0.324 5.709 1.00 0.57 O ATOM 856 CB LEU A 56 1.670 -0.714 4.282 1.00 0.39 C ATOM 857 CG LEU A 56 0.989 -1.109 2.970 1.00 1.17 C ATOM 858 CD1 LEU A 56 -0.459 -0.614 2.970 1.00 1.86 C ATOM 859 CD2 LEU A 56 1.737 -0.474 1.799 1.00 1.41 C ATOM 0 H LEU A 56 1.294 -3.072 5.045 1.00 0.32 H new ATOM 0 HA LEU A 56 3.496 -1.703 3.705 1.00 0.37 H new ATOM 0 HB2 LEU A 56 0.951 -0.743 5.100 1.00 0.39 H new ATOM 0 HB3 LEU A 56 2.039 0.310 4.218 1.00 0.39 H new ATOM 0 HG LEU A 56 1.002 -2.194 2.871 1.00 1.17 H new ATOM 0 HD11 LEU A 56 -0.940 -0.897 2.034 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -0.997 -1.063 3.805 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -0.473 0.471 3.071 1.00 1.86 H new ATOM 0 HD21 LEU A 56 1.253 -0.754 0.863 1.00 1.41 H new ATOM 0 HD22 LEU A 56 1.723 0.611 1.904 1.00 1.41 H new ATOM 0 HD23 LEU A 56 2.769 -0.825 1.793 1.00 1.41 H new ATOM 871 N ARG A 57 3.319 -1.747 6.947 1.00 0.60 N ATOM 872 CA ARG A 57 4.045 -1.326 8.173 1.00 0.72 C ATOM 873 C ARG A 57 5.471 -1.871 8.101 1.00 0.70 C ATOM 874 O ARG A 57 6.433 -1.159 8.317 1.00 0.69 O ATOM 875 CB ARG A 57 3.336 -1.898 9.404 1.00 0.81 C ATOM 876 CG ARG A 57 4.235 -1.748 10.633 1.00 1.32 C ATOM 877 CD ARG A 57 3.370 -1.713 11.896 1.00 1.13 C ATOM 878 NE ARG A 57 3.983 -0.786 12.893 1.00 1.23 N ATOM 879 CZ ARG A 57 3.305 -0.368 13.936 1.00 1.07 C ATOM 880 NH1 ARG A 57 2.072 -0.762 14.152 1.00 0.87 N ATOM 881 NH2 ARG A 57 3.869 0.452 14.779 1.00 1.63 N ATOM 0 H ARG A 57 2.618 -2.475 7.086 1.00 0.60 H new ATOM 0 HA ARG A 57 4.065 -0.239 8.246 1.00 0.72 H new ATOM 0 HB2 ARG A 57 2.392 -1.378 9.566 1.00 0.81 H new ATOM 0 HB3 ARG A 57 3.097 -2.949 9.242 1.00 0.81 H new ATOM 0 HG2 ARG A 57 4.940 -2.578 10.685 1.00 1.32 H new ATOM 0 HG3 ARG A 57 4.824 -0.834 10.557 1.00 1.32 H new ATOM 0 HD2 ARG A 57 2.361 -1.383 11.649 1.00 1.13 H new ATOM 0 HD3 ARG A 57 3.284 -2.714 12.319 1.00 1.13 H new ATOM 0 HE ARG A 57 4.945 -0.472 12.761 1.00 1.23 H new ATOM 0 HH11 ARG A 57 1.621 -1.406 13.502 1.00 0.87 H new ATOM 0 HH12 ARG A 57 1.564 -0.424 14.970 1.00 0.87 H new ATOM 0 HH21 ARG A 57 4.828 0.762 14.624 1.00 1.63 H new ATOM 0 HH22 ARG A 57 3.351 0.783 15.593 1.00 1.63 H new ATOM 895 N GLN A 58 5.615 -3.130 7.786 1.00 0.69 N ATOM 896 CA GLN A 58 6.981 -3.721 7.688 1.00 0.68 C ATOM 897 C GLN A 58 7.669 -3.229 6.406 1.00 0.75 C ATOM 898 O GLN A 58 8.880 -3.202 6.315 1.00 0.80 O ATOM 899 CB GLN A 58 6.878 -5.250 7.658 1.00 0.76 C ATOM 900 CG GLN A 58 8.251 -5.846 7.339 1.00 1.32 C ATOM 901 CD GLN A 58 8.324 -7.278 7.872 1.00 1.24 C ATOM 902 OE1 GLN A 58 7.439 -7.723 8.575 1.00 1.41 O ATOM 903 NE2 GLN A 58 9.349 -8.024 7.563 1.00 2.00 N ATOM 0 H GLN A 58 4.848 -3.774 7.593 1.00 0.69 H new ATOM 0 HA GLN A 58 7.568 -3.413 8.553 1.00 0.68 H new ATOM 0 HB2 GLN A 58 6.523 -5.620 8.620 1.00 0.76 H new ATOM 0 HB3 GLN A 58 6.151 -5.562 6.908 1.00 0.76 H new ATOM 0 HG2 GLN A 58 8.421 -5.839 6.262 1.00 1.32 H new ATOM 0 HG3 GLN A 58 9.036 -5.239 7.790 1.00 1.32 H new ATOM 0 HE21 GLN A 58 10.092 -7.650 6.973 1.00 2.00 H new ATOM 0 HE22 GLN A 58 9.407 -8.981 7.912 1.00 2.00 H new ATOM 912 N PHE A 59 6.908 -2.841 5.414 1.00 0.76 N ATOM 913 CA PHE A 59 7.519 -2.357 4.141 1.00 0.85 C ATOM 914 C PHE A 59 8.190 -0.998 4.371 1.00 0.80 C ATOM 915 O PHE A 59 9.313 -0.770 3.964 1.00 0.81 O ATOM 916 CB PHE A 59 6.418 -2.218 3.082 1.00 0.92 C ATOM 917 CG PHE A 59 6.983 -1.607 1.818 1.00 0.76 C ATOM 918 CD1 PHE A 59 8.257 -1.972 1.371 1.00 0.98 C ATOM 919 CD2 PHE A 59 6.223 -0.682 1.086 1.00 1.40 C ATOM 920 CE1 PHE A 59 8.774 -1.413 0.196 1.00 0.97 C ATOM 921 CE2 PHE A 59 6.742 -0.124 -0.088 1.00 1.27 C ATOM 922 CZ PHE A 59 8.017 -0.488 -0.533 1.00 0.47 C ATOM 0 H PHE A 59 5.888 -2.839 5.432 1.00 0.76 H new ATOM 0 HA PHE A 59 8.271 -3.069 3.800 1.00 0.85 H new ATOM 0 HB2 PHE A 59 5.989 -3.196 2.862 1.00 0.92 H new ATOM 0 HB3 PHE A 59 5.610 -1.595 3.466 1.00 0.92 H new ATOM 0 HD1 PHE A 59 8.842 -2.685 1.932 1.00 0.98 H new ATOM 0 HD2 PHE A 59 5.238 -0.401 1.428 1.00 1.40 H new ATOM 0 HE1 PHE A 59 9.758 -1.696 -0.148 1.00 0.97 H new ATOM 0 HE2 PHE A 59 6.157 0.588 -0.651 1.00 1.27 H new ATOM 0 HZ PHE A 59 8.417 -0.056 -1.438 1.00 0.47 H new ATOM 932 N TYR A 60 7.508 -0.093 5.016 1.00 0.76 N ATOM 933 CA TYR A 60 8.091 1.255 5.270 1.00 0.73 C ATOM 934 C TYR A 60 8.836 1.287 6.614 1.00 0.67 C ATOM 935 O TYR A 60 9.427 2.287 6.970 1.00 0.63 O ATOM 936 CB TYR A 60 6.964 2.286 5.303 1.00 0.75 C ATOM 937 CG TYR A 60 6.690 2.682 6.735 1.00 0.76 C ATOM 938 CD1 TYR A 60 5.976 1.820 7.577 1.00 0.88 C ATOM 939 CD2 TYR A 60 7.151 3.911 7.221 1.00 0.70 C ATOM 940 CE1 TYR A 60 5.724 2.187 8.904 1.00 0.90 C ATOM 941 CE2 TYR A 60 6.899 4.278 8.549 1.00 0.72 C ATOM 942 CZ TYR A 60 6.185 3.416 9.390 1.00 0.81 C ATOM 943 OH TYR A 60 5.937 3.778 10.698 1.00 0.84 O ATOM 0 H TYR A 60 6.565 -0.230 5.381 1.00 0.76 H new ATOM 0 HA TYR A 60 8.798 1.484 4.473 1.00 0.73 H new ATOM 0 HB2 TYR A 60 7.241 3.163 4.718 1.00 0.75 H new ATOM 0 HB3 TYR A 60 6.063 1.872 4.850 1.00 0.75 H new ATOM 0 HD1 TYR A 60 5.620 0.872 7.202 1.00 0.88 H new ATOM 0 HD2 TYR A 60 7.701 4.576 6.572 1.00 0.70 H new ATOM 0 HE1 TYR A 60 5.174 1.522 9.553 1.00 0.90 H new ATOM 0 HE2 TYR A 60 7.255 5.226 8.924 1.00 0.72 H new ATOM 0 HH TYR A 60 6.327 4.660 10.873 1.00 0.84 H new ATOM 953 N SER A 61 8.809 0.223 7.376 1.00 0.70 N ATOM 954 CA SER A 61 9.511 0.243 8.691 1.00 0.65 C ATOM 955 C SER A 61 10.973 -0.187 8.524 1.00 0.48 C ATOM 956 O SER A 61 11.876 0.465 9.007 1.00 0.45 O ATOM 957 CB SER A 61 8.808 -0.711 9.658 1.00 0.73 C ATOM 958 OG SER A 61 7.678 -0.057 10.223 1.00 1.33 O ATOM 0 H SER A 61 8.335 -0.650 7.146 1.00 0.70 H new ATOM 0 HA SER A 61 9.485 1.258 9.088 1.00 0.65 H new ATOM 0 HB2 SER A 61 8.496 -1.614 9.134 1.00 0.73 H new ATOM 0 HB3 SER A 61 9.495 -1.021 10.445 1.00 0.73 H new ATOM 0 HG SER A 61 6.858 -0.421 9.828 1.00 1.33 H new ATOM 964 N HIS A 62 11.217 -1.284 7.859 1.00 0.41 N ATOM 965 CA HIS A 62 12.624 -1.750 7.686 1.00 0.25 C ATOM 966 C HIS A 62 13.229 -1.162 6.407 1.00 0.14 C ATOM 967 O HIS A 62 14.394 -0.820 6.364 1.00 0.13 O ATOM 968 CB HIS A 62 12.645 -3.278 7.598 1.00 0.35 C ATOM 969 CG HIS A 62 11.982 -3.858 8.816 1.00 0.87 C ATOM 970 ND1 HIS A 62 11.924 -3.175 10.020 1.00 1.79 N ATOM 971 CD2 HIS A 62 11.348 -5.057 9.034 1.00 2.07 C ATOM 972 CE1 HIS A 62 11.276 -3.958 10.900 1.00 2.34 C ATOM 973 NE2 HIS A 62 10.902 -5.118 10.351 1.00 2.47 N ATOM 0 H HIS A 62 10.506 -1.876 7.429 1.00 0.41 H new ATOM 0 HA HIS A 62 13.212 -1.417 8.541 1.00 0.25 H new ATOM 0 HB2 HIS A 62 12.128 -3.608 6.697 1.00 0.35 H new ATOM 0 HB3 HIS A 62 13.672 -3.635 7.525 1.00 0.35 H new ATOM 0 HD2 HIS A 62 11.216 -5.834 8.296 1.00 2.07 H new ATOM 0 HE1 HIS A 62 11.081 -3.683 11.926 1.00 2.34 H new ATOM 0 HE2 HIS A 62 10.398 -5.883 10.800 1.00 2.47 H new ATOM 981 N HIS A 63 12.456 -1.053 5.360 1.00 0.09 N ATOM 982 CA HIS A 63 13.002 -0.503 4.085 1.00 0.18 C ATOM 983 C HIS A 63 12.808 1.019 4.015 1.00 0.46 C ATOM 984 O HIS A 63 12.739 1.589 2.944 1.00 0.88 O ATOM 985 CB HIS A 63 12.284 -1.162 2.907 1.00 0.09 C ATOM 986 CG HIS A 63 12.266 -2.655 3.104 1.00 0.66 C ATOM 987 ND1 HIS A 63 13.414 -3.426 3.009 1.00 1.11 N ATOM 988 CD2 HIS A 63 11.249 -3.530 3.392 1.00 0.96 C ATOM 989 CE1 HIS A 63 13.062 -4.706 3.235 1.00 1.56 C ATOM 990 NE2 HIS A 63 11.752 -4.825 3.474 1.00 1.50 N ATOM 0 H HIS A 63 11.472 -1.320 5.332 1.00 0.09 H new ATOM 0 HA HIS A 63 14.070 -0.715 4.042 1.00 0.18 H new ATOM 0 HB2 HIS A 63 11.265 -0.782 2.829 1.00 0.09 H new ATOM 0 HB3 HIS A 63 12.789 -0.913 1.974 1.00 0.09 H new ATOM 0 HD2 HIS A 63 10.214 -3.255 3.534 1.00 0.96 H new ATOM 0 HE1 HIS A 63 13.754 -5.535 3.224 1.00 1.56 H new ATOM 0 HE2 HIS A 63 11.233 -5.680 3.673 1.00 1.50 H new ATOM 998 N GLU A 64 12.724 1.689 5.134 1.00 0.41 N ATOM 999 CA GLU A 64 12.543 3.169 5.096 1.00 0.68 C ATOM 1000 C GLU A 64 13.913 3.851 5.096 1.00 0.73 C ATOM 1001 O GLU A 64 14.179 4.731 4.299 1.00 0.81 O ATOM 1002 CB GLU A 64 11.734 3.622 6.317 1.00 0.80 C ATOM 1003 CG GLU A 64 12.370 4.872 6.934 1.00 0.86 C ATOM 1004 CD GLU A 64 11.434 5.447 7.998 1.00 1.26 C ATOM 1005 OE1 GLU A 64 10.476 4.775 8.342 1.00 1.94 O ATOM 1006 OE2 GLU A 64 11.691 6.550 8.451 1.00 1.36 O ATOM 0 H GLU A 64 12.773 1.278 6.066 1.00 0.41 H new ATOM 0 HA GLU A 64 12.004 3.446 4.190 1.00 0.68 H new ATOM 0 HB2 GLU A 64 10.706 3.834 6.024 1.00 0.80 H new ATOM 0 HB3 GLU A 64 11.696 2.821 7.056 1.00 0.80 H new ATOM 0 HG2 GLU A 64 13.333 4.621 7.379 1.00 0.86 H new ATOM 0 HG3 GLU A 64 12.560 5.616 6.161 1.00 0.86 H new ATOM 1013 N LYS A 65 14.785 3.455 5.981 1.00 0.98 N ATOM 1014 CA LYS A 65 16.136 4.083 6.029 1.00 1.20 C ATOM 1015 C LYS A 65 17.198 3.026 5.720 1.00 1.24 C ATOM 1016 O LYS A 65 18.063 2.745 6.525 1.00 1.35 O ATOM 1017 CB LYS A 65 16.381 4.662 7.425 1.00 1.44 C ATOM 1018 CG LYS A 65 17.200 5.948 7.309 1.00 1.88 C ATOM 1019 CD LYS A 65 16.389 7.118 7.867 1.00 2.97 C ATOM 1020 CE LYS A 65 17.322 8.296 8.154 1.00 3.48 C ATOM 1021 NZ LYS A 65 16.691 9.188 9.168 1.00 4.32 N ATOM 0 H LYS A 65 14.621 2.724 6.673 1.00 0.98 H new ATOM 0 HA LYS A 65 16.193 4.883 5.291 1.00 1.20 H new ATOM 0 HB2 LYS A 65 15.430 4.867 7.917 1.00 1.44 H new ATOM 0 HB3 LYS A 65 16.910 3.936 8.043 1.00 1.44 H new ATOM 0 HG2 LYS A 65 18.137 5.846 7.857 1.00 1.88 H new ATOM 0 HG3 LYS A 65 17.459 6.135 6.267 1.00 1.88 H new ATOM 0 HD2 LYS A 65 15.621 7.415 7.153 1.00 2.97 H new ATOM 0 HD3 LYS A 65 15.876 6.816 8.780 1.00 2.97 H new ATOM 0 HE2 LYS A 65 18.283 7.933 8.519 1.00 3.48 H new ATOM 0 HE3 LYS A 65 17.519 8.851 7.237 1.00 3.48 H new ATOM 0 HZ1 LYS A 65 17.323 9.990 9.366 1.00 4.32 H new ATOM 0 HZ2 LYS A 65 15.785 9.543 8.802 1.00 4.32 H new ATOM 0 HZ3 LYS A 65 16.525 8.654 10.045 1.00 4.32 H new ATOM 1035 N ASP A 66 17.138 2.438 4.558 1.00 1.19 N ATOM 1036 CA ASP A 66 18.142 1.400 4.197 1.00 1.25 C ATOM 1037 C ASP A 66 18.959 1.873 2.993 1.00 1.30 C ATOM 1038 O ASP A 66 18.584 2.799 2.302 1.00 1.47 O ATOM 1039 CB ASP A 66 17.422 0.096 3.844 1.00 1.13 C ATOM 1040 CG ASP A 66 16.739 0.237 2.482 1.00 2.91 C ATOM 1041 OD1 ASP A 66 16.413 1.355 2.117 1.00 4.42 O ATOM 1042 OD2 ASP A 66 16.552 -0.775 1.829 1.00 3.18 O ATOM 0 H ASP A 66 16.437 2.632 3.843 1.00 1.19 H new ATOM 0 HA ASP A 66 18.809 1.231 5.043 1.00 1.25 H new ATOM 0 HB2 ASP A 66 18.134 -0.729 3.821 1.00 1.13 H new ATOM 0 HB3 ASP A 66 16.683 -0.142 4.609 1.00 1.13 H new ATOM 1047 N THR A 67 20.073 1.244 2.736 1.00 1.16 N ATOM 1048 CA THR A 67 20.912 1.656 1.575 1.00 1.21 C ATOM 1049 C THR A 67 20.453 0.913 0.315 1.00 1.17 C ATOM 1050 O THR A 67 20.661 1.369 -0.792 1.00 1.29 O ATOM 1051 CB THR A 67 22.377 1.318 1.856 1.00 1.26 C ATOM 1052 OG1 THR A 67 22.819 2.047 2.992 1.00 2.38 O ATOM 1053 CG2 THR A 67 23.230 1.693 0.642 1.00 1.91 C ATOM 0 H THR A 67 20.439 0.462 3.280 1.00 1.16 H new ATOM 0 HA THR A 67 20.808 2.730 1.421 1.00 1.21 H new ATOM 0 HB THR A 67 22.474 0.250 2.049 1.00 1.26 H new ATOM 0 HG1 THR A 67 23.757 1.831 3.175 1.00 2.38 H new ATOM 0 HG21 THR A 67 24.274 1.452 0.842 1.00 1.91 H new ATOM 0 HG22 THR A 67 22.889 1.133 -0.229 1.00 1.91 H new ATOM 0 HG23 THR A 67 23.135 2.761 0.447 1.00 1.91 H new ATOM 1061 N ARG A 68 19.842 -0.229 0.472 1.00 1.03 N ATOM 1062 CA ARG A 68 19.383 -1.000 -0.719 1.00 0.97 C ATOM 1063 C ARG A 68 18.480 -0.124 -1.594 1.00 0.93 C ATOM 1064 O ARG A 68 18.775 0.128 -2.745 1.00 1.09 O ATOM 1065 CB ARG A 68 18.605 -2.236 -0.259 1.00 0.91 C ATOM 1066 CG ARG A 68 19.422 -2.995 0.790 1.00 1.54 C ATOM 1067 CD ARG A 68 19.477 -4.479 0.420 1.00 0.90 C ATOM 1068 NE ARG A 68 19.215 -5.312 1.639 1.00 1.50 N ATOM 1069 CZ ARG A 68 19.877 -5.129 2.758 1.00 2.79 C ATOM 1070 NH1 ARG A 68 20.959 -4.390 2.798 1.00 3.71 N ATOM 1071 NH2 ARG A 68 19.492 -5.757 3.835 1.00 3.47 N ATOM 0 H ARG A 68 19.641 -0.662 1.373 1.00 1.03 H new ATOM 0 HA ARG A 68 20.252 -1.310 -1.300 1.00 0.97 H new ATOM 0 HB2 ARG A 68 17.644 -1.938 0.160 1.00 0.91 H new ATOM 0 HB3 ARG A 68 18.395 -2.884 -1.110 1.00 0.91 H new ATOM 0 HG2 ARG A 68 20.431 -2.586 0.846 1.00 1.54 H new ATOM 0 HG3 ARG A 68 18.973 -2.872 1.775 1.00 1.54 H new ATOM 0 HD2 ARG A 68 18.737 -4.700 -0.349 1.00 0.90 H new ATOM 0 HD3 ARG A 68 20.454 -4.724 0.003 1.00 0.90 H new ATOM 0 HE ARG A 68 18.503 -6.041 1.598 1.00 1.50 H new ATOM 0 HH11 ARG A 68 21.303 -3.943 1.948 1.00 3.71 H new ATOM 0 HH12 ARG A 68 21.457 -4.262 3.679 1.00 3.71 H new ATOM 0 HH21 ARG A 68 18.686 -6.381 3.801 1.00 3.47 H new ATOM 0 HH22 ARG A 68 19.997 -5.624 4.711 1.00 3.47 H new ATOM 1085 N CYS A 69 17.378 0.333 -1.064 1.00 0.74 N ATOM 1086 CA CYS A 69 16.457 1.179 -1.877 1.00 0.72 C ATOM 1087 C CYS A 69 17.080 2.557 -2.130 1.00 0.79 C ATOM 1088 O CYS A 69 16.719 3.241 -3.066 1.00 0.79 O ATOM 1089 CB CYS A 69 15.132 1.351 -1.134 1.00 0.67 C ATOM 1090 SG CYS A 69 13.890 2.021 -2.268 1.00 1.15 S ATOM 0 H CYS A 69 17.076 0.158 -0.106 1.00 0.74 H new ATOM 0 HA CYS A 69 16.283 0.688 -2.835 1.00 0.72 H new ATOM 0 HB2 CYS A 69 14.798 0.393 -0.736 1.00 0.67 H new ATOM 0 HB3 CYS A 69 15.263 2.020 -0.284 1.00 0.67 H new ATOM 1095 N LEU A 70 18.007 2.976 -1.306 1.00 0.87 N ATOM 1096 CA LEU A 70 18.636 4.313 -1.517 1.00 0.95 C ATOM 1097 C LEU A 70 19.189 4.398 -2.942 1.00 1.08 C ATOM 1098 O LEU A 70 18.643 5.078 -3.789 1.00 1.21 O ATOM 1099 CB LEU A 70 19.777 4.509 -0.518 1.00 0.91 C ATOM 1100 CG LEU A 70 19.247 5.218 0.729 1.00 1.04 C ATOM 1101 CD1 LEU A 70 20.322 5.216 1.818 1.00 0.76 C ATOM 1102 CD2 LEU A 70 18.884 6.662 0.376 1.00 1.39 C ATOM 0 H LEU A 70 18.353 2.453 -0.501 1.00 0.87 H new ATOM 0 HA LEU A 70 17.887 5.091 -1.368 1.00 0.95 H new ATOM 0 HB2 LEU A 70 20.206 3.545 -0.246 1.00 0.91 H new ATOM 0 HB3 LEU A 70 20.575 5.097 -0.972 1.00 0.91 H new ATOM 0 HG LEU A 70 18.362 4.696 1.094 1.00 1.04 H new ATOM 0 HD11 LEU A 70 19.942 5.722 2.706 1.00 0.76 H new ATOM 0 HD12 LEU A 70 20.583 4.188 2.070 1.00 0.76 H new ATOM 0 HD13 LEU A 70 21.208 5.737 1.455 1.00 0.76 H new ATOM 0 HD21 LEU A 70 18.506 7.169 1.263 1.00 1.39 H new ATOM 0 HD22 LEU A 70 19.770 7.181 0.011 1.00 1.39 H new ATOM 0 HD23 LEU A 70 18.117 6.665 -0.398 1.00 1.39 H new ATOM 1114 N GLY A 71 20.263 3.710 -3.215 1.00 1.09 N ATOM 1115 CA GLY A 71 20.844 3.752 -4.588 1.00 1.24 C ATOM 1116 C GLY A 71 22.313 4.172 -4.515 1.00 1.10 C ATOM 1117 O GLY A 71 22.857 4.381 -3.449 1.00 1.43 O ATOM 0 H GLY A 71 20.763 3.121 -2.549 1.00 1.09 H new ATOM 0 HA2 GLY A 71 20.759 2.773 -5.059 1.00 1.24 H new ATOM 0 HA3 GLY A 71 20.286 4.454 -5.208 1.00 1.24 H new ATOM 1121 N ALA A 72 22.960 4.296 -5.642 1.00 0.92 N ATOM 1122 CA ALA A 72 24.394 4.701 -5.637 1.00 0.93 C ATOM 1123 C ALA A 72 24.549 6.045 -6.355 1.00 1.12 C ATOM 1124 O ALA A 72 25.567 6.322 -6.958 1.00 1.41 O ATOM 1125 CB ALA A 72 25.223 3.638 -6.361 1.00 0.92 C ATOM 0 H ALA A 72 22.558 4.134 -6.565 1.00 0.92 H new ATOM 0 HA ALA A 72 24.742 4.798 -4.608 1.00 0.93 H new ATOM 0 HB1 ALA A 72 26.273 3.932 -6.359 1.00 0.92 H new ATOM 0 HB2 ALA A 72 25.113 2.681 -5.851 1.00 0.92 H new ATOM 0 HB3 ALA A 72 24.875 3.543 -7.390 1.00 0.92 H new ATOM 1131 N THR A 73 23.549 6.882 -6.294 1.00 1.02 N ATOM 1132 CA THR A 73 23.646 8.206 -6.975 1.00 1.20 C ATOM 1133 C THR A 73 23.054 9.291 -6.073 1.00 1.15 C ATOM 1134 O THR A 73 22.513 9.012 -5.021 1.00 0.93 O ATOM 1135 CB THR A 73 22.871 8.158 -8.293 1.00 1.36 C ATOM 1136 OG1 THR A 73 21.476 8.148 -8.021 1.00 1.54 O ATOM 1137 CG2 THR A 73 23.252 6.894 -9.065 1.00 1.66 C ATOM 0 H THR A 73 22.672 6.708 -5.804 1.00 1.02 H new ATOM 0 HA THR A 73 24.693 8.435 -7.176 1.00 1.20 H new ATOM 0 HB THR A 73 23.118 9.035 -8.892 1.00 1.36 H new ATOM 0 HG1 THR A 73 20.978 8.119 -8.865 1.00 1.54 H new ATOM 0 HG21 THR A 73 22.699 6.861 -10.004 1.00 1.66 H new ATOM 0 HG22 THR A 73 24.322 6.904 -9.274 1.00 1.66 H new ATOM 0 HG23 THR A 73 23.007 6.015 -8.468 1.00 1.66 H new ATOM 1145 N ALA A 74 23.155 10.530 -6.474 1.00 1.41 N ATOM 1146 CA ALA A 74 22.601 11.633 -5.639 1.00 1.39 C ATOM 1147 C ALA A 74 21.146 11.900 -6.032 1.00 1.31 C ATOM 1148 O ALA A 74 20.342 12.319 -5.224 1.00 1.26 O ATOM 1149 CB ALA A 74 23.427 12.902 -5.862 1.00 1.56 C ATOM 0 H ALA A 74 23.598 10.825 -7.344 1.00 1.41 H new ATOM 0 HA ALA A 74 22.644 11.346 -4.588 1.00 1.39 H new ATOM 0 HB1 ALA A 74 23.024 13.710 -5.252 1.00 1.56 H new ATOM 0 HB2 ALA A 74 24.463 12.716 -5.579 1.00 1.56 H new ATOM 0 HB3 ALA A 74 23.383 13.184 -6.914 1.00 1.56 H new ATOM 1155 N GLN A 75 20.803 11.666 -7.270 1.00 1.30 N ATOM 1156 CA GLN A 75 19.402 11.914 -7.713 1.00 1.24 C ATOM 1157 C GLN A 75 18.472 10.861 -7.107 1.00 1.12 C ATOM 1158 O GLN A 75 17.527 11.180 -6.413 1.00 0.76 O ATOM 1159 CB GLN A 75 19.328 11.839 -9.239 1.00 1.32 C ATOM 1160 CG GLN A 75 19.891 13.127 -9.841 1.00 1.36 C ATOM 1161 CD GLN A 75 21.149 12.807 -10.652 1.00 1.29 C ATOM 1162 OE1 GLN A 75 22.200 13.365 -10.409 1.00 2.17 O ATOM 1163 NE2 GLN A 75 21.084 11.926 -11.612 1.00 1.71 N ATOM 0 H GLN A 75 21.432 11.314 -7.992 1.00 1.30 H new ATOM 0 HA GLN A 75 19.091 12.904 -7.380 1.00 1.24 H new ATOM 0 HB2 GLN A 75 19.893 10.979 -9.599 1.00 1.32 H new ATOM 0 HB3 GLN A 75 18.295 11.698 -9.557 1.00 1.32 H new ATOM 0 HG2 GLN A 75 19.144 13.599 -10.480 1.00 1.36 H new ATOM 0 HG3 GLN A 75 20.127 13.838 -9.049 1.00 1.36 H new ATOM 0 HE21 GLN A 75 20.201 11.458 -11.816 1.00 1.71 H new ATOM 0 HE22 GLN A 75 21.916 11.705 -12.159 1.00 1.71 H new ATOM 1172 N GLN A 76 18.729 9.610 -7.367 1.00 1.42 N ATOM 1173 CA GLN A 76 17.856 8.535 -6.813 1.00 1.32 C ATOM 1174 C GLN A 76 17.751 8.676 -5.289 1.00 1.17 C ATOM 1175 O GLN A 76 16.794 8.235 -4.685 1.00 1.00 O ATOM 1176 CB GLN A 76 18.455 7.171 -7.158 1.00 1.52 C ATOM 1177 CG GLN A 76 18.000 6.754 -8.559 1.00 2.03 C ATOM 1178 CD GLN A 76 18.056 5.230 -8.682 1.00 1.52 C ATOM 1179 OE1 GLN A 76 17.101 4.547 -8.368 1.00 2.03 O ATOM 1180 NE2 GLN A 76 19.143 4.664 -9.128 1.00 1.71 N ATOM 0 H GLN A 76 19.507 9.284 -7.940 1.00 1.42 H new ATOM 0 HA GLN A 76 16.860 8.622 -7.247 1.00 1.32 H new ATOM 0 HB2 GLN A 76 19.543 7.219 -7.116 1.00 1.52 H new ATOM 0 HB3 GLN A 76 18.140 6.428 -6.425 1.00 1.52 H new ATOM 0 HG2 GLN A 76 16.985 7.107 -8.743 1.00 2.03 H new ATOM 0 HG3 GLN A 76 18.640 7.214 -9.312 1.00 2.03 H new ATOM 0 HE21 GLN A 76 19.945 5.237 -9.392 1.00 1.71 H new ATOM 0 HE22 GLN A 76 19.191 3.649 -9.213 1.00 1.71 H new ATOM 1189 N PHE A 77 18.725 9.276 -4.663 1.00 1.25 N ATOM 1190 CA PHE A 77 18.674 9.432 -3.181 1.00 1.18 C ATOM 1191 C PHE A 77 17.405 10.189 -2.779 1.00 0.93 C ATOM 1192 O PHE A 77 16.616 9.718 -1.985 1.00 0.98 O ATOM 1193 CB PHE A 77 19.904 10.211 -2.710 1.00 1.39 C ATOM 1194 CG PHE A 77 20.267 9.787 -1.307 1.00 1.19 C ATOM 1195 CD1 PHE A 77 19.637 10.384 -0.209 1.00 1.03 C ATOM 1196 CD2 PHE A 77 21.235 8.796 -1.104 1.00 1.29 C ATOM 1197 CE1 PHE A 77 19.975 9.992 1.092 1.00 0.87 C ATOM 1198 CE2 PHE A 77 21.573 8.403 0.196 1.00 1.19 C ATOM 1199 CZ PHE A 77 20.943 9.001 1.294 1.00 0.94 C ATOM 0 H PHE A 77 19.554 9.665 -5.112 1.00 1.25 H new ATOM 0 HA PHE A 77 18.664 8.446 -2.716 1.00 1.18 H new ATOM 0 HB2 PHE A 77 20.742 10.029 -3.384 1.00 1.39 H new ATOM 0 HB3 PHE A 77 19.701 11.282 -2.736 1.00 1.39 H new ATOM 0 HD1 PHE A 77 18.890 11.148 -0.365 1.00 1.03 H new ATOM 0 HD2 PHE A 77 21.721 8.335 -1.951 1.00 1.29 H new ATOM 0 HE1 PHE A 77 19.489 10.454 1.939 1.00 0.87 H new ATOM 0 HE2 PHE A 77 22.320 7.639 0.352 1.00 1.19 H new ATOM 0 HZ PHE A 77 21.204 8.698 2.297 1.00 0.94 H new ATOM 1209 N HIS A 78 17.204 11.363 -3.315 1.00 0.77 N ATOM 1210 CA HIS A 78 15.989 12.149 -2.954 1.00 0.61 C ATOM 1211 C HIS A 78 14.740 11.459 -3.507 1.00 0.66 C ATOM 1212 O HIS A 78 13.709 11.413 -2.866 1.00 0.71 O ATOM 1213 CB HIS A 78 16.096 13.554 -3.548 1.00 0.55 C ATOM 1214 CG HIS A 78 14.894 14.361 -3.140 1.00 0.75 C ATOM 1215 ND1 HIS A 78 13.841 14.610 -4.006 1.00 1.09 N ATOM 1216 CD2 HIS A 78 14.563 14.980 -1.961 1.00 1.14 C ATOM 1217 CE1 HIS A 78 12.934 15.349 -3.342 1.00 1.17 C ATOM 1218 NE2 HIS A 78 13.324 15.602 -2.090 1.00 1.30 N ATOM 0 H HIS A 78 17.828 11.811 -3.986 1.00 0.77 H new ATOM 0 HA HIS A 78 15.914 12.214 -1.869 1.00 0.61 H new ATOM 0 HB2 HIS A 78 17.008 14.039 -3.201 1.00 0.55 H new ATOM 0 HB3 HIS A 78 16.158 13.498 -4.635 1.00 0.55 H new ATOM 0 HD2 HIS A 78 15.171 14.984 -1.069 1.00 1.14 H new ATOM 0 HE1 HIS A 78 12.004 15.695 -3.769 1.00 1.17 H new ATOM 0 HE2 HIS A 78 12.822 16.136 -1.381 1.00 1.30 H new ATOM 1226 N ARG A 79 14.825 10.926 -4.693 1.00 0.73 N ATOM 1227 CA ARG A 79 13.644 10.243 -5.291 1.00 0.78 C ATOM 1228 C ARG A 79 13.139 9.155 -4.338 1.00 0.82 C ATOM 1229 O ARG A 79 11.973 8.814 -4.334 1.00 0.87 O ATOM 1230 CB ARG A 79 14.046 9.608 -6.625 1.00 0.78 C ATOM 1231 CG ARG A 79 14.284 10.710 -7.662 1.00 1.01 C ATOM 1232 CD ARG A 79 13.341 10.506 -8.849 1.00 1.01 C ATOM 1233 NE ARG A 79 13.984 11.026 -10.091 1.00 1.67 N ATOM 1234 CZ ARG A 79 13.509 10.723 -11.278 1.00 2.03 C ATOM 1235 NH1 ARG A 79 12.461 9.945 -11.414 1.00 2.38 N ATOM 1236 NH2 ARG A 79 14.091 11.204 -12.343 1.00 2.64 N ATOM 0 H ARG A 79 15.662 10.934 -5.275 1.00 0.73 H new ATOM 0 HA ARG A 79 12.851 10.972 -5.457 1.00 0.78 H new ATOM 0 HB2 ARG A 79 14.949 9.011 -6.499 1.00 0.78 H new ATOM 0 HB3 ARG A 79 13.263 8.932 -6.969 1.00 0.78 H new ATOM 0 HG2 ARG A 79 14.115 11.689 -7.213 1.00 1.01 H new ATOM 0 HG3 ARG A 79 15.320 10.689 -7.999 1.00 1.01 H new ATOM 0 HD2 ARG A 79 13.107 9.448 -8.964 1.00 1.01 H new ATOM 0 HD3 ARG A 79 12.398 11.023 -8.671 1.00 1.01 H new ATOM 0 HE ARG A 79 14.805 11.626 -10.017 1.00 1.67 H new ATOM 0 HH11 ARG A 79 11.999 9.563 -10.589 1.00 2.38 H new ATOM 0 HH12 ARG A 79 12.108 9.722 -12.345 1.00 2.38 H new ATOM 0 HH21 ARG A 79 14.907 11.809 -12.249 1.00 2.64 H new ATOM 0 HH22 ARG A 79 13.730 10.975 -13.269 1.00 2.64 H new ATOM 1250 N HIS A 80 14.008 8.605 -3.534 1.00 0.80 N ATOM 1251 CA HIS A 80 13.578 7.538 -2.587 1.00 0.84 C ATOM 1252 C HIS A 80 13.067 8.174 -1.291 1.00 0.70 C ATOM 1253 O HIS A 80 12.154 7.675 -0.659 1.00 0.62 O ATOM 1254 CB HIS A 80 14.769 6.627 -2.277 1.00 1.06 C ATOM 1255 CG HIS A 80 14.585 5.995 -0.926 1.00 0.43 C ATOM 1256 ND1 HIS A 80 13.745 4.911 -0.725 1.00 0.39 N ATOM 1257 CD2 HIS A 80 15.131 6.278 0.302 1.00 0.95 C ATOM 1258 CE1 HIS A 80 13.809 4.585 0.579 1.00 0.53 C ATOM 1259 NE2 HIS A 80 14.639 5.387 1.250 1.00 1.26 N ATOM 0 H HIS A 80 14.998 8.849 -3.492 1.00 0.80 H new ATOM 0 HA HIS A 80 12.777 6.952 -3.038 1.00 0.84 H new ATOM 0 HB2 HIS A 80 14.857 5.855 -3.041 1.00 1.06 H new ATOM 0 HB3 HIS A 80 15.694 7.203 -2.297 1.00 1.06 H new ATOM 0 HD2 HIS A 80 15.836 7.072 0.501 1.00 0.95 H new ATOM 0 HE1 HIS A 80 13.256 3.773 1.028 1.00 0.53 H new ATOM 0 HE2 HIS A 80 14.864 5.354 2.244 1.00 1.26 H new ATOM 1267 N LYS A 81 13.648 9.270 -0.887 1.00 0.72 N ATOM 1268 CA LYS A 81 13.197 9.936 0.369 1.00 0.67 C ATOM 1269 C LYS A 81 11.716 10.307 0.255 1.00 0.47 C ATOM 1270 O LYS A 81 11.013 10.387 1.242 1.00 0.46 O ATOM 1271 CB LYS A 81 14.023 11.204 0.602 1.00 0.73 C ATOM 1272 CG LYS A 81 15.400 10.822 1.148 1.00 2.23 C ATOM 1273 CD LYS A 81 15.660 11.575 2.456 1.00 1.75 C ATOM 1274 CE LYS A 81 16.216 12.966 2.144 1.00 1.95 C ATOM 1275 NZ LYS A 81 15.106 13.960 2.155 1.00 1.98 N ATOM 0 H LYS A 81 14.416 9.734 -1.372 1.00 0.72 H new ATOM 0 HA LYS A 81 13.335 9.252 1.207 1.00 0.67 H new ATOM 0 HB2 LYS A 81 14.131 11.757 -0.331 1.00 0.73 H new ATOM 0 HB3 LYS A 81 13.511 11.861 1.305 1.00 0.73 H new ATOM 0 HG2 LYS A 81 15.449 9.747 1.320 1.00 2.23 H new ATOM 0 HG3 LYS A 81 16.172 11.064 0.418 1.00 2.23 H new ATOM 0 HD2 LYS A 81 14.736 11.661 3.028 1.00 1.75 H new ATOM 0 HD3 LYS A 81 16.366 11.020 3.073 1.00 1.75 H new ATOM 0 HE2 LYS A 81 16.971 13.241 2.880 1.00 1.95 H new ATOM 0 HE3 LYS A 81 16.706 12.963 1.170 1.00 1.95 H new ATOM 0 HZ1 LYS A 81 15.500 14.921 2.112 1.00 1.98 H new ATOM 0 HZ2 LYS A 81 14.490 13.802 1.332 1.00 1.98 H new ATOM 0 HZ3 LYS A 81 14.552 13.852 3.028 1.00 1.98 H new ATOM 1289 N GLN A 82 11.235 10.539 -0.936 1.00 0.38 N ATOM 1290 CA GLN A 82 9.800 10.908 -1.096 1.00 0.20 C ATOM 1291 C GLN A 82 8.939 9.641 -1.118 1.00 0.23 C ATOM 1292 O GLN A 82 7.779 9.664 -0.758 1.00 0.21 O ATOM 1293 CB GLN A 82 9.607 11.683 -2.402 1.00 0.15 C ATOM 1294 CG GLN A 82 9.657 10.719 -3.589 1.00 2.32 C ATOM 1295 CD GLN A 82 8.236 10.287 -3.957 1.00 3.33 C ATOM 1296 OE1 GLN A 82 7.308 10.504 -3.204 1.00 3.44 O ATOM 1297 NE2 GLN A 82 8.025 9.681 -5.092 1.00 4.47 N ATOM 0 H GLN A 82 11.771 10.489 -1.802 1.00 0.38 H new ATOM 0 HA GLN A 82 9.497 11.535 -0.257 1.00 0.20 H new ATOM 0 HB2 GLN A 82 8.651 12.207 -2.387 1.00 0.15 H new ATOM 0 HB3 GLN A 82 10.384 12.441 -2.504 1.00 0.15 H new ATOM 0 HG2 GLN A 82 10.134 11.201 -4.442 1.00 2.32 H new ATOM 0 HG3 GLN A 82 10.260 9.847 -3.337 1.00 2.32 H new ATOM 0 HE21 GLN A 82 8.804 9.498 -5.725 1.00 4.47 H new ATOM 0 HE22 GLN A 82 7.081 9.390 -5.347 1.00 4.47 H new ATOM 1306 N LEU A 83 9.493 8.535 -1.533 1.00 0.28 N ATOM 1307 CA LEU A 83 8.699 7.276 -1.571 1.00 0.32 C ATOM 1308 C LEU A 83 8.351 6.863 -0.138 1.00 0.34 C ATOM 1309 O LEU A 83 7.266 6.386 0.136 1.00 0.36 O ATOM 1310 CB LEU A 83 9.521 6.184 -2.291 1.00 0.44 C ATOM 1311 CG LEU A 83 9.728 4.936 -1.414 1.00 0.92 C ATOM 1312 CD1 LEU A 83 8.420 4.145 -1.301 1.00 1.78 C ATOM 1313 CD2 LEU A 83 10.787 4.047 -2.067 1.00 1.58 C ATOM 0 H LEU A 83 10.460 8.449 -1.847 1.00 0.28 H new ATOM 0 HA LEU A 83 7.769 7.421 -2.121 1.00 0.32 H new ATOM 0 HB2 LEU A 83 9.013 5.898 -3.212 1.00 0.44 H new ATOM 0 HB3 LEU A 83 10.491 6.591 -2.575 1.00 0.44 H new ATOM 0 HG LEU A 83 10.046 5.245 -0.418 1.00 0.92 H new ATOM 0 HD11 LEU A 83 8.580 3.265 -0.678 1.00 1.78 H new ATOM 0 HD12 LEU A 83 7.652 4.774 -0.850 1.00 1.78 H new ATOM 0 HD13 LEU A 83 8.097 3.833 -2.294 1.00 1.78 H new ATOM 0 HD21 LEU A 83 10.944 3.158 -1.455 1.00 1.58 H new ATOM 0 HD22 LEU A 83 10.450 3.749 -3.060 1.00 1.58 H new ATOM 0 HD23 LEU A 83 11.723 4.599 -2.152 1.00 1.58 H new ATOM 1325 N ILE A 84 9.264 7.038 0.777 1.00 0.35 N ATOM 1326 CA ILE A 84 8.986 6.647 2.188 1.00 0.39 C ATOM 1327 C ILE A 84 7.917 7.568 2.781 1.00 0.34 C ATOM 1328 O ILE A 84 7.071 7.140 3.539 1.00 0.33 O ATOM 1329 CB ILE A 84 10.268 6.755 3.015 1.00 0.50 C ATOM 1330 CG1 ILE A 84 11.348 5.857 2.402 1.00 0.59 C ATOM 1331 CG2 ILE A 84 9.986 6.306 4.451 1.00 0.47 C ATOM 1332 CD1 ILE A 84 10.812 4.431 2.263 1.00 0.55 C ATOM 0 H ILE A 84 10.189 7.434 0.609 1.00 0.35 H new ATOM 0 HA ILE A 84 8.627 5.618 2.208 1.00 0.39 H new ATOM 0 HB ILE A 84 10.614 7.789 3.018 1.00 0.50 H new ATOM 0 HG12 ILE A 84 11.644 6.242 1.426 1.00 0.59 H new ATOM 0 HG13 ILE A 84 12.239 5.862 3.030 1.00 0.59 H new ATOM 0 HG21 ILE A 84 10.899 6.382 5.042 1.00 0.47 H new ATOM 0 HG22 ILE A 84 9.217 6.944 4.887 1.00 0.47 H new ATOM 0 HG23 ILE A 84 9.641 5.272 4.448 1.00 0.47 H new ATOM 0 HD11 ILE A 84 11.581 3.794 1.827 1.00 0.55 H new ATOM 0 HD12 ILE A 84 10.538 4.048 3.246 1.00 0.55 H new ATOM 0 HD13 ILE A 84 9.934 4.434 1.617 1.00 0.55 H new ATOM 1344 N ARG A 85 7.942 8.830 2.447 1.00 0.31 N ATOM 1345 CA ARG A 85 6.919 9.762 3.002 1.00 0.30 C ATOM 1346 C ARG A 85 5.530 9.333 2.528 1.00 0.26 C ATOM 1347 O ARG A 85 4.581 9.304 3.289 1.00 0.28 O ATOM 1348 CB ARG A 85 7.209 11.185 2.519 1.00 0.29 C ATOM 1349 CG ARG A 85 6.852 12.182 3.626 1.00 0.42 C ATOM 1350 CD ARG A 85 7.690 13.453 3.461 1.00 0.31 C ATOM 1351 NE ARG A 85 7.541 14.304 4.680 1.00 0.92 N ATOM 1352 CZ ARG A 85 8.357 15.307 4.912 1.00 1.13 C ATOM 1353 NH1 ARG A 85 9.326 15.604 4.079 1.00 0.93 N ATOM 1354 NH2 ARG A 85 8.200 16.024 5.993 1.00 1.70 N ATOM 0 H ARG A 85 8.623 9.254 1.817 1.00 0.31 H new ATOM 0 HA ARG A 85 6.955 9.736 4.091 1.00 0.30 H new ATOM 0 HB2 ARG A 85 8.261 11.283 2.252 1.00 0.29 H new ATOM 0 HB3 ARG A 85 6.631 11.400 1.620 1.00 0.29 H new ATOM 0 HG2 ARG A 85 5.791 12.426 3.582 1.00 0.42 H new ATOM 0 HG3 ARG A 85 7.036 11.737 4.604 1.00 0.42 H new ATOM 0 HD2 ARG A 85 8.738 13.194 3.310 1.00 0.31 H new ATOM 0 HD3 ARG A 85 7.367 14.003 2.577 1.00 0.31 H new ATOM 0 HE ARG A 85 6.793 14.103 5.343 1.00 0.92 H new ATOM 0 HH11 ARG A 85 9.457 15.052 3.232 1.00 0.93 H new ATOM 0 HH12 ARG A 85 9.948 16.387 4.279 1.00 0.93 H new ATOM 0 HH21 ARG A 85 7.449 15.803 6.647 1.00 1.70 H new ATOM 0 HH22 ARG A 85 8.828 16.805 6.183 1.00 1.70 H new ATOM 1368 N PHE A 86 5.404 9.000 1.274 1.00 0.23 N ATOM 1369 CA PHE A 86 4.080 8.572 0.743 1.00 0.24 C ATOM 1370 C PHE A 86 3.617 7.315 1.482 1.00 0.27 C ATOM 1371 O PHE A 86 2.440 7.116 1.710 1.00 0.31 O ATOM 1372 CB PHE A 86 4.205 8.266 -0.752 1.00 0.24 C ATOM 1373 CG PHE A 86 3.409 9.277 -1.542 1.00 0.19 C ATOM 1374 CD1 PHE A 86 3.609 10.646 -1.330 1.00 0.91 C ATOM 1375 CD2 PHE A 86 2.471 8.846 -2.488 1.00 0.63 C ATOM 1376 CE1 PHE A 86 2.872 11.584 -2.062 1.00 1.00 C ATOM 1377 CE2 PHE A 86 1.734 9.784 -3.222 1.00 0.55 C ATOM 1378 CZ PHE A 86 1.935 11.152 -3.009 1.00 0.32 C ATOM 0 H PHE A 86 6.163 9.006 0.592 1.00 0.23 H new ATOM 0 HA PHE A 86 3.353 9.371 0.892 1.00 0.24 H new ATOM 0 HB2 PHE A 86 5.252 8.296 -1.054 1.00 0.24 H new ATOM 0 HB3 PHE A 86 3.842 7.259 -0.959 1.00 0.24 H new ATOM 0 HD1 PHE A 86 4.333 10.979 -0.601 1.00 0.91 H new ATOM 0 HD2 PHE A 86 2.316 7.790 -2.652 1.00 0.63 H new ATOM 0 HE1 PHE A 86 3.026 12.640 -1.897 1.00 1.00 H new ATOM 0 HE2 PHE A 86 1.011 9.451 -3.952 1.00 0.55 H new ATOM 0 HZ PHE A 86 1.367 11.875 -3.575 1.00 0.32 H new ATOM 1388 N LEU A 87 4.535 6.464 1.850 1.00 0.27 N ATOM 1389 CA LEU A 87 4.152 5.213 2.568 1.00 0.33 C ATOM 1390 C LEU A 87 3.543 5.553 3.933 1.00 0.29 C ATOM 1391 O LEU A 87 2.495 5.059 4.294 1.00 0.15 O ATOM 1392 CB LEU A 87 5.398 4.350 2.773 1.00 0.37 C ATOM 1393 CG LEU A 87 5.111 2.921 2.313 1.00 0.48 C ATOM 1394 CD1 LEU A 87 6.417 2.128 2.272 1.00 1.39 C ATOM 1395 CD2 LEU A 87 4.143 2.253 3.290 1.00 1.29 C ATOM 0 H LEU A 87 5.535 6.580 1.685 1.00 0.27 H new ATOM 0 HA LEU A 87 3.416 4.671 1.974 1.00 0.33 H new ATOM 0 HB2 LEU A 87 6.236 4.763 2.211 1.00 0.37 H new ATOM 0 HB3 LEU A 87 5.687 4.354 3.824 1.00 0.37 H new ATOM 0 HG LEU A 87 4.665 2.944 1.318 1.00 0.48 H new ATOM 0 HD11 LEU A 87 6.214 1.109 1.944 1.00 1.39 H new ATOM 0 HD12 LEU A 87 7.109 2.602 1.576 1.00 1.39 H new ATOM 0 HD13 LEU A 87 6.861 2.107 3.267 1.00 1.39 H new ATOM 0 HD21 LEU A 87 3.939 1.234 2.961 1.00 1.29 H new ATOM 0 HD22 LEU A 87 4.588 2.231 4.285 1.00 1.29 H new ATOM 0 HD23 LEU A 87 3.211 2.817 3.322 1.00 1.29 H new ATOM 1407 N LYS A 88 4.195 6.387 4.697 1.00 0.41 N ATOM 1408 CA LYS A 88 3.655 6.749 6.039 1.00 0.39 C ATOM 1409 C LYS A 88 2.224 7.270 5.900 1.00 0.37 C ATOM 1410 O LYS A 88 1.355 6.943 6.684 1.00 0.36 O ATOM 1411 CB LYS A 88 4.527 7.841 6.662 1.00 0.37 C ATOM 1412 CG LYS A 88 5.949 7.312 6.862 1.00 0.47 C ATOM 1413 CD LYS A 88 6.892 8.484 7.142 1.00 0.95 C ATOM 1414 CE LYS A 88 7.836 8.119 8.289 1.00 1.35 C ATOM 1415 NZ LYS A 88 9.126 8.843 8.116 1.00 2.49 N ATOM 0 H LYS A 88 5.078 6.833 4.450 1.00 0.41 H new ATOM 0 HA LYS A 88 3.659 5.864 6.675 1.00 0.39 H new ATOM 0 HB2 LYS A 88 4.543 8.720 6.017 1.00 0.37 H new ATOM 0 HB3 LYS A 88 4.107 8.154 7.618 1.00 0.37 H new ATOM 0 HG2 LYS A 88 5.973 6.605 7.692 1.00 0.47 H new ATOM 0 HG3 LYS A 88 6.276 6.772 5.974 1.00 0.47 H new ATOM 0 HD2 LYS A 88 7.466 8.724 6.247 1.00 0.95 H new ATOM 0 HD3 LYS A 88 6.317 9.373 7.400 1.00 0.95 H new ATOM 0 HE2 LYS A 88 7.384 8.382 9.245 1.00 1.35 H new ATOM 0 HE3 LYS A 88 8.009 7.043 8.304 1.00 1.35 H new ATOM 0 HZ1 LYS A 88 9.770 8.596 8.895 1.00 2.49 H new ATOM 0 HZ2 LYS A 88 9.558 8.571 7.210 1.00 2.49 H new ATOM 0 HZ3 LYS A 88 8.952 9.868 8.122 1.00 2.49 H new ATOM 1429 N ARG A 89 1.974 8.087 4.916 1.00 0.36 N ATOM 1430 CA ARG A 89 0.602 8.641 4.733 1.00 0.34 C ATOM 1431 C ARG A 89 -0.398 7.504 4.502 1.00 0.36 C ATOM 1432 O ARG A 89 -1.440 7.442 5.125 1.00 0.37 O ATOM 1433 CB ARG A 89 0.597 9.582 3.526 1.00 0.36 C ATOM 1434 CG ARG A 89 -0.834 9.765 3.023 1.00 0.96 C ATOM 1435 CD ARG A 89 -0.966 11.136 2.357 1.00 0.73 C ATOM 1436 NE ARG A 89 -1.857 11.025 1.166 1.00 1.62 N ATOM 1437 CZ ARG A 89 -2.348 12.097 0.589 1.00 1.74 C ATOM 1438 NH1 ARG A 89 -2.067 13.298 1.033 1.00 1.19 N ATOM 1439 NH2 ARG A 89 -3.129 11.964 -0.447 1.00 2.54 N ATOM 0 H ARG A 89 2.661 8.396 4.229 1.00 0.36 H new ATOM 0 HA ARG A 89 0.312 9.189 5.630 1.00 0.34 H new ATOM 0 HB2 ARG A 89 1.022 10.547 3.803 1.00 0.36 H new ATOM 0 HB3 ARG A 89 1.223 9.174 2.732 1.00 0.36 H new ATOM 0 HG2 ARG A 89 -1.085 8.977 2.313 1.00 0.96 H new ATOM 0 HG3 ARG A 89 -1.536 9.682 3.852 1.00 0.96 H new ATOM 0 HD2 ARG A 89 -1.374 11.858 3.064 1.00 0.73 H new ATOM 0 HD3 ARG A 89 0.016 11.503 2.057 1.00 0.73 H new ATOM 0 HE ARG A 89 -2.088 10.103 0.795 1.00 1.62 H new ATOM 0 HH11 ARG A 89 -1.456 13.413 1.842 1.00 1.19 H new ATOM 0 HH12 ARG A 89 -2.459 14.118 0.570 1.00 1.19 H new ATOM 0 HH21 ARG A 89 -3.353 11.034 -0.801 1.00 2.54 H new ATOM 0 HH22 ARG A 89 -3.516 12.790 -0.903 1.00 2.54 H new ATOM 1453 N LEU A 90 -0.093 6.609 3.607 1.00 0.38 N ATOM 1454 CA LEU A 90 -1.029 5.481 3.325 1.00 0.41 C ATOM 1455 C LEU A 90 -0.998 4.447 4.462 1.00 0.45 C ATOM 1456 O LEU A 90 -1.793 3.530 4.487 1.00 0.51 O ATOM 1457 CB LEU A 90 -0.618 4.802 2.016 1.00 0.35 C ATOM 1458 CG LEU A 90 -1.844 4.643 1.117 1.00 0.35 C ATOM 1459 CD1 LEU A 90 -2.215 6.000 0.517 1.00 1.11 C ATOM 1460 CD2 LEU A 90 -1.526 3.658 -0.011 1.00 0.52 C ATOM 0 H LEU A 90 0.765 6.608 3.056 1.00 0.38 H new ATOM 0 HA LEU A 90 -2.040 5.879 3.244 1.00 0.41 H new ATOM 0 HB2 LEU A 90 0.143 5.396 1.509 1.00 0.35 H new ATOM 0 HB3 LEU A 90 -0.177 3.827 2.223 1.00 0.35 H new ATOM 0 HG LEU A 90 -2.679 4.264 1.706 1.00 0.35 H new ATOM 0 HD11 LEU A 90 -3.089 5.888 -0.124 1.00 1.11 H new ATOM 0 HD12 LEU A 90 -2.441 6.703 1.319 1.00 1.11 H new ATOM 0 HD13 LEU A 90 -1.379 6.378 -0.072 1.00 1.11 H new ATOM 0 HD21 LEU A 90 -2.400 3.544 -0.652 1.00 0.52 H new ATOM 0 HD22 LEU A 90 -0.691 4.037 -0.600 1.00 0.52 H new ATOM 0 HD23 LEU A 90 -1.260 2.690 0.415 1.00 0.52 H new ATOM 1472 N ASP A 91 -0.092 4.571 5.396 1.00 0.42 N ATOM 1473 CA ASP A 91 -0.033 3.574 6.504 1.00 0.47 C ATOM 1474 C ASP A 91 -1.221 3.761 7.451 1.00 0.55 C ATOM 1475 O ASP A 91 -1.929 2.825 7.764 1.00 0.58 O ATOM 1476 CB ASP A 91 1.269 3.757 7.288 1.00 0.45 C ATOM 1477 CG ASP A 91 1.154 3.049 8.639 1.00 0.83 C ATOM 1478 OD1 ASP A 91 0.969 1.843 8.640 1.00 1.06 O ATOM 1479 OD2 ASP A 91 1.253 3.724 9.652 1.00 1.75 O ATOM 0 H ASP A 91 0.605 5.314 5.440 1.00 0.42 H new ATOM 0 HA ASP A 91 -0.071 2.572 6.077 1.00 0.47 H new ATOM 0 HB2 ASP A 91 2.107 3.350 6.722 1.00 0.45 H new ATOM 0 HB3 ASP A 91 1.470 4.818 7.437 1.00 0.45 H new ATOM 1484 N ARG A 92 -1.435 4.957 7.926 1.00 0.60 N ATOM 1485 CA ARG A 92 -2.564 5.191 8.871 1.00 0.69 C ATOM 1486 C ARG A 92 -3.840 5.561 8.111 1.00 0.70 C ATOM 1487 O ARG A 92 -4.931 5.403 8.615 1.00 0.74 O ATOM 1488 CB ARG A 92 -2.198 6.336 9.817 1.00 0.80 C ATOM 1489 CG ARG A 92 -1.270 5.814 10.915 1.00 1.68 C ATOM 1490 CD ARG A 92 -1.669 6.423 12.260 1.00 1.52 C ATOM 1491 NE ARG A 92 -0.724 7.525 12.603 1.00 2.32 N ATOM 1492 CZ ARG A 92 -1.000 8.381 13.560 1.00 2.75 C ATOM 1493 NH1 ARG A 92 -2.110 8.291 14.255 1.00 2.60 N ATOM 1494 NH2 ARG A 92 -0.153 9.337 13.826 1.00 3.64 N ATOM 0 H ARG A 92 -0.878 5.781 7.701 1.00 0.60 H new ATOM 0 HA ARG A 92 -2.743 4.275 9.434 1.00 0.69 H new ATOM 0 HB2 ARG A 92 -1.709 7.137 9.263 1.00 0.80 H new ATOM 0 HB3 ARG A 92 -3.100 6.759 10.259 1.00 0.80 H new ATOM 0 HG2 ARG A 92 -1.327 4.727 10.966 1.00 1.68 H new ATOM 0 HG3 ARG A 92 -0.236 6.069 10.682 1.00 1.68 H new ATOM 0 HD2 ARG A 92 -2.689 6.805 12.211 1.00 1.52 H new ATOM 0 HD3 ARG A 92 -1.652 5.659 13.037 1.00 1.52 H new ATOM 0 HE ARG A 92 0.151 7.615 12.086 1.00 2.32 H new ATOM 0 HH11 ARG A 92 -2.777 7.546 14.056 1.00 2.60 H new ATOM 0 HH12 ARG A 92 -2.305 8.966 14.994 1.00 2.60 H new ATOM 0 HH21 ARG A 92 0.713 9.414 13.293 1.00 3.64 H new ATOM 0 HH22 ARG A 92 -0.357 10.008 14.567 1.00 3.64 H new ATOM 1508 N ASN A 93 -3.722 6.068 6.918 1.00 0.68 N ATOM 1509 CA ASN A 93 -4.946 6.460 6.160 1.00 0.73 C ATOM 1510 C ASN A 93 -5.581 5.237 5.496 1.00 0.61 C ATOM 1511 O ASN A 93 -6.781 5.177 5.314 1.00 0.55 O ATOM 1512 CB ASN A 93 -4.568 7.481 5.086 1.00 0.79 C ATOM 1513 CG ASN A 93 -5.722 8.464 4.885 1.00 0.82 C ATOM 1514 OD1 ASN A 93 -6.605 8.227 4.084 1.00 2.07 O ATOM 1515 ND2 ASN A 93 -5.754 9.566 5.584 1.00 1.02 N ATOM 0 H ASN A 93 -2.838 6.228 6.435 1.00 0.68 H new ATOM 0 HA ASN A 93 -5.666 6.895 6.853 1.00 0.73 H new ATOM 0 HB2 ASN A 93 -3.667 8.018 5.381 1.00 0.79 H new ATOM 0 HB3 ASN A 93 -4.343 6.972 4.149 1.00 0.79 H new ATOM 0 HD21 ASN A 93 -6.520 10.228 5.458 1.00 1.02 H new ATOM 0 HD22 ASN A 93 -5.013 9.765 6.256 1.00 1.02 H new ATOM 1522 N LEU A 94 -4.796 4.269 5.118 1.00 0.59 N ATOM 1523 CA LEU A 94 -5.371 3.066 4.450 1.00 0.48 C ATOM 1524 C LEU A 94 -6.292 2.306 5.412 1.00 0.35 C ATOM 1525 O LEU A 94 -7.471 2.158 5.164 1.00 0.34 O ATOM 1526 CB LEU A 94 -4.237 2.145 3.995 1.00 0.51 C ATOM 1527 CG LEU A 94 -4.815 0.986 3.180 1.00 0.75 C ATOM 1528 CD1 LEU A 94 -5.126 1.464 1.759 1.00 0.67 C ATOM 1529 CD2 LEU A 94 -3.793 -0.152 3.122 1.00 1.01 C ATOM 0 H LEU A 94 -3.784 4.257 5.241 1.00 0.59 H new ATOM 0 HA LEU A 94 -5.954 3.389 3.588 1.00 0.48 H new ATOM 0 HB2 LEU A 94 -3.520 2.704 3.394 1.00 0.51 H new ATOM 0 HB3 LEU A 94 -3.697 1.761 4.860 1.00 0.51 H new ATOM 0 HG LEU A 94 -5.731 0.631 3.651 1.00 0.75 H new ATOM 0 HD11 LEU A 94 -5.538 0.638 1.179 1.00 0.67 H new ATOM 0 HD12 LEU A 94 -5.852 2.276 1.799 1.00 0.67 H new ATOM 0 HD13 LEU A 94 -4.210 1.819 1.286 1.00 0.67 H new ATOM 0 HD21 LEU A 94 -4.202 -0.979 2.542 1.00 1.01 H new ATOM 0 HD22 LEU A 94 -2.878 0.205 2.650 1.00 1.01 H new ATOM 0 HD23 LEU A 94 -3.570 -0.493 4.133 1.00 1.01 H new ATOM 1541 N TRP A 95 -5.767 1.809 6.497 1.00 0.36 N ATOM 1542 CA TRP A 95 -6.617 1.039 7.454 1.00 0.32 C ATOM 1543 C TRP A 95 -7.249 1.960 8.501 1.00 0.42 C ATOM 1544 O TRP A 95 -8.165 1.574 9.198 1.00 0.45 O ATOM 1545 CB TRP A 95 -5.756 -0.009 8.147 1.00 0.58 C ATOM 1546 CG TRP A 95 -5.288 0.500 9.471 1.00 0.29 C ATOM 1547 CD1 TRP A 95 -4.523 1.595 9.651 1.00 0.66 C ATOM 1548 CD2 TRP A 95 -5.527 -0.056 10.793 1.00 0.65 C ATOM 1549 NE1 TRP A 95 -4.279 1.754 11.004 1.00 0.81 N ATOM 1550 CE2 TRP A 95 -4.876 0.757 11.750 1.00 0.42 C ATOM 1551 CE3 TRP A 95 -6.239 -1.177 11.248 1.00 1.40 C ATOM 1552 CZ2 TRP A 95 -4.934 0.468 13.115 1.00 0.56 C ATOM 1553 CZ3 TRP A 95 -6.297 -1.473 12.618 1.00 1.63 C ATOM 1554 CH2 TRP A 95 -5.645 -0.654 13.550 1.00 1.12 C ATOM 0 H TRP A 95 -4.787 1.901 6.764 1.00 0.36 H new ATOM 0 HA TRP A 95 -7.423 0.560 6.898 1.00 0.32 H new ATOM 0 HB2 TRP A 95 -6.328 -0.927 8.284 1.00 0.58 H new ATOM 0 HB3 TRP A 95 -4.899 -0.257 7.521 1.00 0.58 H new ATOM 0 HD1 TRP A 95 -4.160 2.243 8.867 1.00 0.66 H new ATOM 0 HE1 TRP A 95 -3.726 2.514 11.401 1.00 0.81 H new ATOM 0 HE3 TRP A 95 -6.745 -1.815 10.539 1.00 1.40 H new ATOM 0 HZ2 TRP A 95 -4.434 1.106 13.828 1.00 0.56 H new ATOM 0 HZ3 TRP A 95 -6.848 -2.338 12.957 1.00 1.63 H new ATOM 0 HH2 TRP A 95 -5.692 -0.890 14.603 1.00 1.12 H new ATOM 1565 N GLY A 96 -6.768 3.164 8.627 1.00 0.56 N ATOM 1566 CA GLY A 96 -7.354 4.102 9.633 1.00 0.77 C ATOM 1567 C GLY A 96 -8.873 4.172 9.442 1.00 0.82 C ATOM 1568 O GLY A 96 -9.616 4.410 10.374 1.00 0.92 O ATOM 0 H GLY A 96 -5.995 3.542 8.079 1.00 0.56 H new ATOM 0 HA2 GLY A 96 -7.119 3.763 10.642 1.00 0.77 H new ATOM 0 HA3 GLY A 96 -6.916 5.094 9.520 1.00 0.77 H new ATOM 1572 N LEU A 97 -9.340 3.955 8.242 1.00 0.79 N ATOM 1573 CA LEU A 97 -10.809 3.996 7.992 1.00 0.92 C ATOM 1574 C LEU A 97 -11.433 2.684 8.472 1.00 1.03 C ATOM 1575 O LEU A 97 -12.517 2.665 9.022 1.00 1.30 O ATOM 1576 CB LEU A 97 -11.062 4.163 6.492 1.00 0.88 C ATOM 1577 CG LEU A 97 -12.348 4.963 6.278 1.00 1.30 C ATOM 1578 CD1 LEU A 97 -11.998 6.390 5.850 1.00 1.60 C ATOM 1579 CD2 LEU A 97 -13.186 4.294 5.186 1.00 1.24 C ATOM 0 H LEU A 97 -8.767 3.751 7.423 1.00 0.79 H new ATOM 0 HA LEU A 97 -11.254 4.833 8.530 1.00 0.92 H new ATOM 0 HB2 LEU A 97 -10.221 4.675 6.025 1.00 0.88 H new ATOM 0 HB3 LEU A 97 -11.145 3.186 6.015 1.00 0.88 H new ATOM 0 HG LEU A 97 -12.917 4.993 7.207 1.00 1.30 H new ATOM 0 HD11 LEU A 97 -12.915 6.959 5.698 1.00 1.60 H new ATOM 0 HD12 LEU A 97 -11.400 6.866 6.627 1.00 1.60 H new ATOM 0 HD13 LEU A 97 -11.430 6.362 4.920 1.00 1.60 H new ATOM 0 HD21 LEU A 97 -14.103 4.862 5.032 1.00 1.24 H new ATOM 0 HD22 LEU A 97 -12.617 4.265 4.257 1.00 1.24 H new ATOM 0 HD23 LEU A 97 -13.436 3.278 5.491 1.00 1.24 H new ATOM 1591 N ALA A 98 -10.749 1.591 8.264 1.00 0.86 N ATOM 1592 CA ALA A 98 -11.276 0.264 8.698 1.00 1.01 C ATOM 1593 C ALA A 98 -11.718 0.326 10.162 1.00 1.07 C ATOM 1594 O ALA A 98 -12.786 -0.134 10.518 1.00 1.17 O ATOM 1595 CB ALA A 98 -10.170 -0.783 8.547 1.00 0.99 C ATOM 0 H ALA A 98 -9.838 1.560 7.807 1.00 0.86 H new ATOM 0 HA ALA A 98 -12.133 -0.004 8.080 1.00 1.01 H new ATOM 0 HB1 ALA A 98 -10.545 -1.757 8.862 1.00 0.99 H new ATOM 0 HB2 ALA A 98 -9.858 -0.834 7.504 1.00 0.99 H new ATOM 0 HB3 ALA A 98 -9.318 -0.505 9.168 1.00 0.99 H new ATOM 1601 N GLY A 99 -10.907 0.889 11.012 1.00 1.05 N ATOM 1602 CA GLY A 99 -11.282 0.978 12.453 1.00 1.14 C ATOM 1603 C GLY A 99 -11.243 -0.418 13.078 1.00 1.16 C ATOM 1604 O GLY A 99 -12.246 -0.941 13.520 1.00 1.33 O ATOM 0 H GLY A 99 -10.001 1.292 10.773 1.00 1.05 H new ATOM 0 HA2 GLY A 99 -10.596 1.642 12.978 1.00 1.14 H new ATOM 0 HA3 GLY A 99 -12.279 1.406 12.554 1.00 1.14 H new ATOM 1608 N LEU A 100 -10.089 -1.026 13.117 1.00 1.09 N ATOM 1609 CA LEU A 100 -9.979 -2.389 13.710 1.00 1.19 C ATOM 1610 C LEU A 100 -8.703 -2.464 14.553 1.00 1.06 C ATOM 1611 O LEU A 100 -8.131 -1.457 14.917 1.00 1.62 O ATOM 1612 CB LEU A 100 -9.912 -3.424 12.580 1.00 1.12 C ATOM 1613 CG LEU A 100 -11.102 -4.384 12.676 1.00 1.50 C ATOM 1614 CD1 LEU A 100 -11.002 -5.204 13.963 1.00 2.61 C ATOM 1615 CD2 LEU A 100 -12.404 -3.583 12.685 1.00 2.89 C ATOM 0 H LEU A 100 -9.215 -0.637 12.763 1.00 1.09 H new ATOM 0 HA LEU A 100 -10.845 -2.595 14.339 1.00 1.19 H new ATOM 0 HB2 LEU A 100 -9.918 -2.920 11.614 1.00 1.12 H new ATOM 0 HB3 LEU A 100 -8.978 -3.982 12.642 1.00 1.12 H new ATOM 0 HG LEU A 100 -11.092 -5.056 11.818 1.00 1.50 H new ATOM 0 HD11 LEU A 100 -11.850 -5.885 14.027 1.00 2.61 H new ATOM 0 HD12 LEU A 100 -10.075 -5.778 13.958 1.00 2.61 H new ATOM 0 HD13 LEU A 100 -11.009 -4.534 14.823 1.00 2.61 H new ATOM 0 HD21 LEU A 100 -13.251 -4.266 12.753 1.00 2.89 H new ATOM 0 HD22 LEU A 100 -12.411 -2.910 13.542 1.00 2.89 H new ATOM 0 HD23 LEU A 100 -12.480 -3.002 11.766 1.00 2.89 H new ATOM 1627 N ASN A 101 -8.245 -3.648 14.858 1.00 0.74 N ATOM 1628 CA ASN A 101 -7.000 -3.780 15.664 1.00 0.72 C ATOM 1629 C ASN A 101 -5.892 -4.354 14.779 1.00 0.48 C ATOM 1630 O ASN A 101 -5.970 -4.309 13.568 1.00 0.59 O ATOM 1631 CB ASN A 101 -7.258 -4.719 16.844 1.00 1.35 C ATOM 1632 CG ASN A 101 -8.657 -4.455 17.405 1.00 1.63 C ATOM 1633 OD1 ASN A 101 -9.583 -5.194 17.133 1.00 2.60 O ATOM 1634 ND2 ASN A 101 -8.852 -3.424 18.181 1.00 1.79 N ATOM 0 H ASN A 101 -8.680 -4.529 14.583 1.00 0.74 H new ATOM 0 HA ASN A 101 -6.696 -2.804 16.042 1.00 0.72 H new ATOM 0 HB2 ASN A 101 -7.173 -5.757 16.523 1.00 1.35 H new ATOM 0 HB3 ASN A 101 -6.508 -4.562 17.619 1.00 1.35 H new ATOM 0 HD21 ASN A 101 -9.781 -3.239 18.559 1.00 1.79 H new ATOM 0 HD22 ASN A 101 -8.075 -2.804 18.410 1.00 1.79 H new ATOM 1641 N SER A 102 -4.861 -4.893 15.368 1.00 1.48 N ATOM 1642 CA SER A 102 -3.756 -5.465 14.548 1.00 1.87 C ATOM 1643 C SER A 102 -4.315 -6.556 13.631 1.00 1.47 C ATOM 1644 O SER A 102 -5.262 -7.238 13.967 1.00 1.79 O ATOM 1645 CB SER A 102 -2.694 -6.068 15.468 1.00 2.97 C ATOM 1646 OG SER A 102 -1.447 -6.101 14.785 1.00 4.02 O ATOM 0 H SER A 102 -4.736 -4.962 16.378 1.00 1.48 H new ATOM 0 HA SER A 102 -3.306 -4.676 13.945 1.00 1.87 H new ATOM 0 HB2 SER A 102 -2.607 -5.477 16.380 1.00 2.97 H new ATOM 0 HB3 SER A 102 -2.985 -7.075 15.768 1.00 2.97 H new ATOM 0 HG SER A 102 -0.763 -6.485 15.372 1.00 4.02 H new ATOM 1652 N CYS A 103 -3.728 -6.731 12.478 1.00 1.17 N ATOM 1653 CA CYS A 103 -4.214 -7.781 11.544 1.00 0.76 C ATOM 1654 C CYS A 103 -3.010 -8.586 11.053 1.00 0.89 C ATOM 1655 O CYS A 103 -2.580 -8.439 9.925 1.00 0.86 O ATOM 1656 CB CYS A 103 -4.918 -7.124 10.351 1.00 0.44 C ATOM 1657 SG CYS A 103 -6.162 -5.951 10.946 1.00 0.99 S ATOM 0 H CYS A 103 -2.931 -6.189 12.144 1.00 1.17 H new ATOM 0 HA CYS A 103 -4.921 -8.437 12.052 1.00 0.76 H new ATOM 0 HB2 CYS A 103 -4.189 -6.609 9.725 1.00 0.44 H new ATOM 0 HB3 CYS A 103 -5.390 -7.886 9.730 1.00 0.44 H new ATOM 1662 N PRO A 104 -2.495 -9.404 11.931 1.00 1.51 N ATOM 1663 CA PRO A 104 -1.321 -10.242 11.637 1.00 1.73 C ATOM 1664 C PRO A 104 -1.585 -11.132 10.423 1.00 1.12 C ATOM 1665 O PRO A 104 -2.055 -12.246 10.547 1.00 1.45 O ATOM 1666 CB PRO A 104 -1.115 -11.088 12.902 1.00 2.55 C ATOM 1667 CG PRO A 104 -2.185 -10.654 13.937 1.00 2.89 C ATOM 1668 CD PRO A 104 -3.049 -9.561 13.286 1.00 2.19 C ATOM 0 HA PRO A 104 -0.440 -9.648 11.396 1.00 1.73 H new ATOM 0 HB2 PRO A 104 -1.213 -12.149 12.673 1.00 2.55 H new ATOM 0 HB3 PRO A 104 -0.112 -10.939 13.303 1.00 2.55 H new ATOM 0 HG2 PRO A 104 -2.801 -11.504 14.230 1.00 2.89 H new ATOM 0 HG3 PRO A 104 -1.710 -10.277 14.843 1.00 2.89 H new ATOM 0 HD2 PRO A 104 -4.099 -9.853 13.253 1.00 2.19 H new ATOM 0 HD3 PRO A 104 -2.995 -8.628 13.846 1.00 2.19 H new ATOM 1676 N VAL A 105 -1.278 -10.644 9.249 1.00 0.72 N ATOM 1677 CA VAL A 105 -1.498 -11.456 8.016 1.00 0.58 C ATOM 1678 C VAL A 105 -0.830 -12.824 8.188 1.00 0.58 C ATOM 1679 O VAL A 105 0.354 -12.919 8.440 1.00 0.60 O ATOM 1680 CB VAL A 105 -0.880 -10.738 6.812 1.00 1.22 C ATOM 1681 CG1 VAL A 105 0.625 -10.570 7.033 1.00 1.30 C ATOM 1682 CG2 VAL A 105 -1.119 -11.569 5.550 1.00 2.54 C ATOM 0 H VAL A 105 -0.884 -9.717 9.091 1.00 0.72 H new ATOM 0 HA VAL A 105 -2.568 -11.586 7.851 1.00 0.58 H new ATOM 0 HB VAL A 105 -1.341 -9.757 6.697 1.00 1.22 H new ATOM 0 HG11 VAL A 105 1.064 -10.059 6.176 1.00 1.30 H new ATOM 0 HG12 VAL A 105 0.797 -9.981 7.934 1.00 1.30 H new ATOM 0 HG13 VAL A 105 1.088 -11.550 7.147 1.00 1.30 H new ATOM 0 HG21 VAL A 105 -0.680 -11.061 4.691 1.00 2.54 H new ATOM 0 HG22 VAL A 105 -0.657 -12.549 5.667 1.00 2.54 H new ATOM 0 HG23 VAL A 105 -2.191 -11.690 5.392 1.00 2.54 H new ATOM 1692 N LYS A 106 -1.583 -13.885 8.065 1.00 0.66 N ATOM 1693 CA LYS A 106 -0.986 -15.241 8.235 1.00 0.81 C ATOM 1694 C LYS A 106 -0.964 -15.975 6.893 1.00 0.62 C ATOM 1695 O LYS A 106 0.086 -16.247 6.346 1.00 0.93 O ATOM 1696 CB LYS A 106 -1.824 -16.043 9.235 1.00 1.30 C ATOM 1697 CG LYS A 106 -1.120 -16.064 10.594 1.00 1.49 C ATOM 1698 CD LYS A 106 -0.493 -17.442 10.827 1.00 1.69 C ATOM 1699 CE LYS A 106 -1.574 -18.430 11.267 1.00 2.57 C ATOM 1700 NZ LYS A 106 -1.069 -19.243 12.410 1.00 3.22 N ATOM 0 H LYS A 106 -2.581 -13.871 7.855 1.00 0.66 H new ATOM 0 HA LYS A 106 0.034 -15.138 8.605 1.00 0.81 H new ATOM 0 HB2 LYS A 106 -2.814 -15.599 9.334 1.00 1.30 H new ATOM 0 HB3 LYS A 106 -1.966 -17.061 8.872 1.00 1.30 H new ATOM 0 HG2 LYS A 106 -0.351 -15.293 10.628 1.00 1.49 H new ATOM 0 HG3 LYS A 106 -1.833 -15.839 11.387 1.00 1.49 H new ATOM 0 HD2 LYS A 106 -0.015 -17.794 9.913 1.00 1.69 H new ATOM 0 HD3 LYS A 106 0.284 -17.375 11.588 1.00 1.69 H new ATOM 0 HE2 LYS A 106 -2.476 -17.892 11.560 1.00 2.57 H new ATOM 0 HE3 LYS A 106 -1.847 -19.081 10.436 1.00 2.57 H new ATOM 0 HZ1 LYS A 106 -1.804 -19.915 12.709 1.00 3.22 H new ATOM 0 HZ2 LYS A 106 -0.220 -19.767 12.115 1.00 3.22 H new ATOM 0 HZ3 LYS A 106 -0.830 -18.615 13.204 1.00 3.22 H new ATOM 1714 N GLU A 107 -2.111 -16.303 6.363 1.00 1.17 N ATOM 1715 CA GLU A 107 -2.155 -17.028 5.059 1.00 1.00 C ATOM 1716 C GLU A 107 -1.433 -16.211 3.986 1.00 0.51 C ATOM 1717 O GLU A 107 -2.017 -15.362 3.342 1.00 0.86 O ATOM 1718 CB GLU A 107 -3.613 -17.234 4.643 1.00 1.43 C ATOM 1719 CG GLU A 107 -3.662 -17.955 3.294 1.00 2.48 C ATOM 1720 CD GLU A 107 -4.380 -19.296 3.457 1.00 3.41 C ATOM 1721 OE1 GLU A 107 -5.597 -19.309 3.364 1.00 3.51 O ATOM 1722 OE2 GLU A 107 -3.703 -20.288 3.672 1.00 4.28 O ATOM 0 H GLU A 107 -3.021 -16.100 6.777 1.00 1.17 H new ATOM 0 HA GLU A 107 -1.662 -17.994 5.168 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -4.139 -17.818 5.399 1.00 1.43 H new ATOM 0 HB3 GLU A 107 -4.121 -16.272 4.572 1.00 1.43 H new ATOM 0 HG2 GLU A 107 -4.181 -17.339 2.559 1.00 2.48 H new ATOM 0 HG3 GLU A 107 -2.651 -18.115 2.918 1.00 2.48 H new ATOM 1729 N ALA A 108 -0.167 -16.460 3.786 1.00 0.48 N ATOM 1730 CA ALA A 108 0.584 -15.696 2.753 1.00 0.29 C ATOM 1731 C ALA A 108 2.012 -16.237 2.650 1.00 0.21 C ATOM 1732 O ALA A 108 2.684 -16.429 3.645 1.00 0.30 O ATOM 1733 CB ALA A 108 0.631 -14.220 3.145 1.00 0.95 C ATOM 0 H ALA A 108 0.377 -17.158 4.293 1.00 0.48 H new ATOM 0 HA ALA A 108 0.084 -15.804 1.791 1.00 0.29 H new ATOM 0 HB1 ALA A 108 1.181 -13.660 2.389 1.00 0.95 H new ATOM 0 HB2 ALA A 108 -0.384 -13.830 3.218 1.00 0.95 H new ATOM 0 HB3 ALA A 108 1.130 -14.115 4.108 1.00 0.95 H new ATOM 1739 N ASP A 109 2.487 -16.471 1.459 1.00 0.19 N ATOM 1740 CA ASP A 109 3.876 -16.983 1.306 1.00 0.12 C ATOM 1741 C ASP A 109 4.834 -15.793 1.176 1.00 0.31 C ATOM 1742 O ASP A 109 5.398 -15.338 2.151 1.00 1.40 O ATOM 1743 CB ASP A 109 3.966 -17.871 0.060 1.00 0.21 C ATOM 1744 CG ASP A 109 3.942 -19.343 0.478 1.00 0.16 C ATOM 1745 OD1 ASP A 109 4.908 -19.784 1.081 1.00 0.79 O ATOM 1746 OD2 ASP A 109 2.960 -20.005 0.188 1.00 0.80 O ATOM 0 H ASP A 109 1.975 -16.330 0.588 1.00 0.19 H new ATOM 0 HA ASP A 109 4.150 -17.576 2.178 1.00 0.12 H new ATOM 0 HB2 ASP A 109 3.134 -17.659 -0.611 1.00 0.21 H new ATOM 0 HB3 ASP A 109 4.882 -17.653 -0.489 1.00 0.21 H new ATOM 1751 N GLN A 110 5.014 -15.274 -0.012 1.00 1.02 N ATOM 1752 CA GLN A 110 5.925 -14.107 -0.184 1.00 0.96 C ATOM 1753 C GLN A 110 5.942 -13.689 -1.657 1.00 0.86 C ATOM 1754 O GLN A 110 6.781 -14.118 -2.424 1.00 0.84 O ATOM 1755 CB GLN A 110 7.343 -14.481 0.255 1.00 0.96 C ATOM 1756 CG GLN A 110 7.787 -15.747 -0.474 1.00 1.89 C ATOM 1757 CD GLN A 110 8.424 -16.718 0.520 1.00 2.21 C ATOM 1758 OE1 GLN A 110 9.088 -16.304 1.449 1.00 1.12 O ATOM 1759 NE2 GLN A 110 8.251 -18.001 0.362 1.00 3.78 N ATOM 0 H GLN A 110 4.570 -15.608 -0.867 1.00 1.02 H new ATOM 0 HA GLN A 110 5.567 -13.280 0.430 1.00 0.96 H new ATOM 0 HB2 GLN A 110 8.030 -13.663 0.036 1.00 0.96 H new ATOM 0 HB3 GLN A 110 7.371 -14.641 1.333 1.00 0.96 H new ATOM 0 HG2 GLN A 110 6.932 -16.217 -0.959 1.00 1.89 H new ATOM 0 HG3 GLN A 110 8.500 -15.495 -1.259 1.00 1.89 H new ATOM 0 HE21 GLN A 110 7.693 -18.348 -0.418 1.00 3.78 H new ATOM 0 HE22 GLN A 110 8.673 -18.657 1.019 1.00 3.78 H new ATOM 1768 N SER A 111 5.031 -12.850 -2.060 1.00 0.89 N ATOM 1769 CA SER A 111 5.014 -12.410 -3.482 1.00 0.81 C ATOM 1770 C SER A 111 5.836 -11.131 -3.614 1.00 0.83 C ATOM 1771 O SER A 111 5.739 -10.237 -2.798 1.00 1.37 O ATOM 1772 CB SER A 111 3.576 -12.146 -3.925 1.00 0.87 C ATOM 1773 OG SER A 111 3.070 -11.019 -3.224 1.00 1.19 O ATOM 0 H SER A 111 4.301 -12.451 -1.470 1.00 0.89 H new ATOM 0 HA SER A 111 5.441 -13.190 -4.113 1.00 0.81 H new ATOM 0 HB2 SER A 111 3.541 -11.966 -5.000 1.00 0.87 H new ATOM 0 HB3 SER A 111 2.956 -13.020 -3.728 1.00 0.87 H new ATOM 0 HG SER A 111 2.256 -10.698 -3.665 1.00 1.19 H new ATOM 1779 N THR A 112 6.652 -11.043 -4.628 1.00 0.49 N ATOM 1780 CA THR A 112 7.492 -9.827 -4.810 1.00 0.52 C ATOM 1781 C THR A 112 6.612 -8.574 -4.760 1.00 0.47 C ATOM 1782 O THR A 112 5.507 -8.558 -5.263 1.00 0.46 O ATOM 1783 CB THR A 112 8.215 -9.911 -6.154 1.00 0.66 C ATOM 1784 OG1 THR A 112 7.269 -9.805 -7.210 1.00 0.86 O ATOM 1785 CG2 THR A 112 8.947 -11.251 -6.250 1.00 0.57 C ATOM 0 H THR A 112 6.773 -11.763 -5.340 1.00 0.49 H new ATOM 0 HA THR A 112 8.228 -9.768 -4.008 1.00 0.52 H new ATOM 0 HB THR A 112 8.935 -9.097 -6.235 1.00 0.66 H new ATOM 0 HG1 THR A 112 7.733 -9.857 -8.072 1.00 0.86 H new ATOM 0 HG21 THR A 112 9.464 -11.315 -7.207 1.00 0.57 H new ATOM 0 HG22 THR A 112 9.672 -11.328 -5.440 1.00 0.57 H new ATOM 0 HG23 THR A 112 8.227 -12.065 -6.171 1.00 0.57 H new ATOM 1793 N LEU A 113 7.094 -7.529 -4.137 1.00 0.49 N ATOM 1794 CA LEU A 113 6.289 -6.276 -4.030 1.00 0.46 C ATOM 1795 C LEU A 113 5.790 -5.845 -5.410 1.00 0.39 C ATOM 1796 O LEU A 113 4.797 -5.161 -5.529 1.00 0.34 O ATOM 1797 CB LEU A 113 7.155 -5.164 -3.434 1.00 0.55 C ATOM 1798 CG LEU A 113 6.282 -3.946 -3.130 1.00 0.70 C ATOM 1799 CD1 LEU A 113 5.278 -4.295 -2.030 1.00 0.88 C ATOM 1800 CD2 LEU A 113 7.168 -2.789 -2.662 1.00 0.83 C ATOM 0 H LEU A 113 8.013 -7.490 -3.697 1.00 0.49 H new ATOM 0 HA LEU A 113 5.430 -6.463 -3.385 1.00 0.46 H new ATOM 0 HB2 LEU A 113 7.639 -5.514 -2.522 1.00 0.55 H new ATOM 0 HB3 LEU A 113 7.947 -4.892 -4.131 1.00 0.55 H new ATOM 0 HG LEU A 113 5.744 -3.653 -4.031 1.00 0.70 H new ATOM 0 HD11 LEU A 113 4.657 -3.425 -1.815 1.00 0.88 H new ATOM 0 HD12 LEU A 113 4.646 -5.119 -2.362 1.00 0.88 H new ATOM 0 HD13 LEU A 113 5.814 -4.590 -1.128 1.00 0.88 H new ATOM 0 HD21 LEU A 113 6.547 -1.920 -2.445 1.00 0.83 H new ATOM 0 HD22 LEU A 113 7.706 -3.084 -1.761 1.00 0.83 H new ATOM 0 HD23 LEU A 113 7.882 -2.538 -3.446 1.00 0.83 H new ATOM 1812 N GLU A 114 6.465 -6.229 -6.454 1.00 0.44 N ATOM 1813 CA GLU A 114 6.011 -5.827 -7.813 1.00 0.36 C ATOM 1814 C GLU A 114 4.563 -6.279 -8.031 1.00 0.32 C ATOM 1815 O GLU A 114 3.692 -5.492 -8.349 1.00 0.30 O ATOM 1816 CB GLU A 114 6.910 -6.484 -8.864 1.00 0.30 C ATOM 1817 CG GLU A 114 7.404 -5.421 -9.849 1.00 0.82 C ATOM 1818 CD GLU A 114 8.653 -5.930 -10.570 1.00 0.77 C ATOM 1819 OE1 GLU A 114 9.544 -6.421 -9.896 1.00 1.19 O ATOM 1820 OE2 GLU A 114 8.699 -5.821 -11.785 1.00 1.24 O ATOM 0 H GLU A 114 7.309 -6.802 -6.427 1.00 0.44 H new ATOM 0 HA GLU A 114 6.068 -4.742 -7.905 1.00 0.36 H new ATOM 0 HB2 GLU A 114 7.758 -6.969 -8.381 1.00 0.30 H new ATOM 0 HB3 GLU A 114 6.359 -7.260 -9.396 1.00 0.30 H new ATOM 0 HG2 GLU A 114 6.622 -5.191 -10.573 1.00 0.82 H new ATOM 0 HG3 GLU A 114 7.630 -4.496 -9.318 1.00 0.82 H new ATOM 1827 N ASN A 115 4.305 -7.547 -7.871 1.00 0.33 N ATOM 1828 CA ASN A 115 2.922 -8.064 -8.082 1.00 0.32 C ATOM 1829 C ASN A 115 1.989 -7.575 -6.973 1.00 0.34 C ATOM 1830 O ASN A 115 0.797 -7.474 -7.163 1.00 0.32 O ATOM 1831 CB ASN A 115 2.948 -9.593 -8.088 1.00 0.36 C ATOM 1832 CG ASN A 115 1.782 -10.120 -8.923 1.00 0.78 C ATOM 1833 OD1 ASN A 115 0.633 -9.909 -8.587 1.00 1.96 O ATOM 1834 ND2 ASN A 115 2.029 -10.801 -10.008 1.00 0.64 N ATOM 0 H ASN A 115 4.993 -8.250 -7.603 1.00 0.33 H new ATOM 0 HA ASN A 115 2.551 -7.694 -9.038 1.00 0.32 H new ATOM 0 HB2 ASN A 115 3.893 -9.949 -8.498 1.00 0.36 H new ATOM 0 HB3 ASN A 115 2.880 -9.972 -7.068 1.00 0.36 H new ATOM 0 HD21 ASN A 115 1.258 -11.156 -10.574 1.00 0.64 H new ATOM 0 HD22 ASN A 115 2.993 -10.978 -10.290 1.00 0.64 H new ATOM 1841 N PHE A 116 2.509 -7.270 -5.817 1.00 0.37 N ATOM 1842 CA PHE A 116 1.623 -6.789 -4.718 1.00 0.39 C ATOM 1843 C PHE A 116 0.985 -5.463 -5.137 1.00 0.30 C ATOM 1844 O PHE A 116 -0.210 -5.374 -5.357 1.00 0.23 O ATOM 1845 CB PHE A 116 2.449 -6.582 -3.447 1.00 0.56 C ATOM 1846 CG PHE A 116 1.632 -5.822 -2.430 1.00 0.58 C ATOM 1847 CD1 PHE A 116 0.741 -6.507 -1.595 1.00 0.60 C ATOM 1848 CD2 PHE A 116 1.767 -4.433 -2.320 1.00 0.80 C ATOM 1849 CE1 PHE A 116 -0.015 -5.802 -0.649 1.00 0.58 C ATOM 1850 CE2 PHE A 116 1.011 -3.728 -1.375 1.00 0.86 C ATOM 1851 CZ PHE A 116 0.120 -4.413 -0.539 1.00 0.63 C ATOM 0 H PHE A 116 3.500 -7.332 -5.586 1.00 0.37 H new ATOM 0 HA PHE A 116 0.845 -7.527 -4.523 1.00 0.39 H new ATOM 0 HB2 PHE A 116 2.753 -7.545 -3.038 1.00 0.56 H new ATOM 0 HB3 PHE A 116 3.361 -6.033 -3.680 1.00 0.56 H new ATOM 0 HD1 PHE A 116 0.636 -7.579 -1.680 1.00 0.60 H new ATOM 0 HD2 PHE A 116 2.454 -3.905 -2.964 1.00 0.80 H new ATOM 0 HE1 PHE A 116 -0.702 -6.330 -0.005 1.00 0.58 H new ATOM 0 HE2 PHE A 116 1.115 -2.656 -1.291 1.00 0.86 H new ATOM 0 HZ PHE A 116 -0.463 -3.870 0.190 1.00 0.63 H new ATOM 1861 N LEU A 117 1.774 -4.434 -5.259 1.00 0.49 N ATOM 1862 CA LEU A 117 1.223 -3.117 -5.677 1.00 0.48 C ATOM 1863 C LEU A 117 0.480 -3.277 -7.006 1.00 0.30 C ATOM 1864 O LEU A 117 -0.393 -2.500 -7.331 1.00 0.31 O ATOM 1865 CB LEU A 117 2.369 -2.117 -5.844 1.00 0.63 C ATOM 1866 CG LEU A 117 3.339 -2.626 -6.910 1.00 2.17 C ATOM 1867 CD1 LEU A 117 2.991 -1.995 -8.259 1.00 3.43 C ATOM 1868 CD2 LEU A 117 4.771 -2.242 -6.525 1.00 3.04 C ATOM 0 H LEU A 117 2.779 -4.448 -5.087 1.00 0.49 H new ATOM 0 HA LEU A 117 0.532 -2.750 -4.918 1.00 0.48 H new ATOM 0 HB2 LEU A 117 1.976 -1.142 -6.131 1.00 0.63 H new ATOM 0 HB3 LEU A 117 2.891 -1.984 -4.896 1.00 0.63 H new ATOM 0 HG LEU A 117 3.260 -3.711 -6.983 1.00 2.17 H new ATOM 0 HD11 LEU A 117 3.682 -2.358 -9.020 1.00 3.43 H new ATOM 0 HD12 LEU A 117 1.972 -2.267 -8.536 1.00 3.43 H new ATOM 0 HD13 LEU A 117 3.070 -0.910 -8.185 1.00 3.43 H new ATOM 0 HD21 LEU A 117 5.462 -2.605 -7.286 1.00 3.04 H new ATOM 0 HD22 LEU A 117 4.850 -1.157 -6.452 1.00 3.04 H new ATOM 0 HD23 LEU A 117 5.022 -2.690 -5.563 1.00 3.04 H new ATOM 1880 N GLU A 118 0.814 -4.279 -7.780 1.00 0.26 N ATOM 1881 CA GLU A 118 0.116 -4.483 -9.080 1.00 0.19 C ATOM 1882 C GLU A 118 -1.374 -4.730 -8.826 1.00 0.16 C ATOM 1883 O GLU A 118 -2.229 -4.041 -9.347 1.00 0.16 O ATOM 1884 CB GLU A 118 0.722 -5.696 -9.791 1.00 0.38 C ATOM 1885 CG GLU A 118 0.138 -5.810 -11.200 1.00 0.22 C ATOM 1886 CD GLU A 118 0.478 -7.181 -11.787 1.00 1.45 C ATOM 1887 OE1 GLU A 118 0.475 -8.143 -11.036 1.00 2.67 O ATOM 1888 OE2 GLU A 118 0.733 -7.246 -12.978 1.00 1.63 O ATOM 0 H GLU A 118 1.540 -4.963 -7.566 1.00 0.26 H new ATOM 0 HA GLU A 118 0.234 -3.597 -9.703 1.00 0.19 H new ATOM 0 HB2 GLU A 118 1.806 -5.596 -9.843 1.00 0.38 H new ATOM 0 HB3 GLU A 118 0.513 -6.604 -9.225 1.00 0.38 H new ATOM 0 HG2 GLU A 118 -0.943 -5.675 -11.169 1.00 0.22 H new ATOM 0 HG3 GLU A 118 0.540 -5.021 -11.836 1.00 0.22 H new ATOM 1895 N ARG A 119 -1.687 -5.710 -8.024 1.00 0.24 N ATOM 1896 CA ARG A 119 -3.115 -6.015 -7.722 1.00 0.27 C ATOM 1897 C ARG A 119 -3.743 -4.868 -6.926 1.00 0.36 C ATOM 1898 O ARG A 119 -4.945 -4.752 -6.852 1.00 0.42 O ATOM 1899 CB ARG A 119 -3.196 -7.301 -6.896 1.00 0.37 C ATOM 1900 CG ARG A 119 -2.547 -8.448 -7.669 1.00 0.18 C ATOM 1901 CD ARG A 119 -3.635 -9.284 -8.346 1.00 0.38 C ATOM 1902 NE ARG A 119 -3.837 -8.801 -9.745 1.00 1.34 N ATOM 1903 CZ ARG A 119 -4.508 -9.520 -10.618 1.00 1.60 C ATOM 1904 NH1 ARG A 119 -5.027 -10.678 -10.290 1.00 1.05 N ATOM 1905 NH2 ARG A 119 -4.661 -9.069 -11.834 1.00 2.71 N ATOM 0 H ARG A 119 -1.010 -6.317 -7.561 1.00 0.24 H new ATOM 0 HA ARG A 119 -3.656 -6.139 -8.660 1.00 0.27 H new ATOM 0 HB2 ARG A 119 -2.692 -7.163 -5.939 1.00 0.37 H new ATOM 0 HB3 ARG A 119 -4.237 -7.540 -6.677 1.00 0.37 H new ATOM 0 HG2 ARG A 119 -1.858 -8.054 -8.416 1.00 0.18 H new ATOM 0 HG3 ARG A 119 -1.962 -9.071 -6.993 1.00 0.18 H new ATOM 0 HD2 ARG A 119 -3.350 -10.336 -8.351 1.00 0.38 H new ATOM 0 HD3 ARG A 119 -4.567 -9.209 -7.786 1.00 0.38 H new ATOM 0 HE ARG A 119 -3.449 -7.901 -10.027 1.00 1.34 H new ATOM 0 HH11 ARG A 119 -4.914 -11.037 -9.342 1.00 1.05 H new ATOM 0 HH12 ARG A 119 -5.544 -11.220 -10.983 1.00 1.05 H new ATOM 0 HH21 ARG A 119 -4.262 -8.168 -12.098 1.00 2.71 H new ATOM 0 HH22 ARG A 119 -5.179 -9.618 -12.520 1.00 2.71 H new ATOM 1919 N LEU A 120 -2.953 -4.019 -6.322 1.00 0.39 N ATOM 1920 CA LEU A 120 -3.549 -2.894 -5.546 1.00 0.50 C ATOM 1921 C LEU A 120 -3.999 -1.798 -6.519 1.00 0.44 C ATOM 1922 O LEU A 120 -4.968 -1.105 -6.286 1.00 0.56 O ATOM 1923 CB LEU A 120 -2.514 -2.333 -4.570 1.00 0.53 C ATOM 1924 CG LEU A 120 -2.924 -2.681 -3.138 1.00 0.64 C ATOM 1925 CD1 LEU A 120 -2.171 -3.930 -2.682 1.00 1.73 C ATOM 1926 CD2 LEU A 120 -2.583 -1.512 -2.209 1.00 0.64 C ATOM 0 H LEU A 120 -1.934 -4.055 -6.332 1.00 0.39 H new ATOM 0 HA LEU A 120 -4.408 -3.253 -4.979 1.00 0.50 H new ATOM 0 HB2 LEU A 120 -1.530 -2.747 -4.789 1.00 0.53 H new ATOM 0 HB3 LEU A 120 -2.438 -1.252 -4.685 1.00 0.53 H new ATOM 0 HG LEU A 120 -3.997 -2.870 -3.104 1.00 0.64 H new ATOM 0 HD11 LEU A 120 -2.463 -4.178 -1.662 1.00 1.73 H new ATOM 0 HD12 LEU A 120 -2.414 -4.763 -3.342 1.00 1.73 H new ATOM 0 HD13 LEU A 120 -1.098 -3.741 -2.717 1.00 1.73 H new ATOM 0 HD21 LEU A 120 -2.875 -1.761 -1.189 1.00 0.64 H new ATOM 0 HD22 LEU A 120 -1.510 -1.321 -2.243 1.00 0.64 H new ATOM 0 HD23 LEU A 120 -3.120 -0.621 -2.533 1.00 0.64 H new ATOM 1938 N LYS A 121 -3.307 -1.654 -7.616 1.00 0.44 N ATOM 1939 CA LYS A 121 -3.686 -0.624 -8.629 1.00 0.51 C ATOM 1940 C LYS A 121 -4.895 -1.115 -9.414 1.00 0.61 C ATOM 1941 O LYS A 121 -5.713 -0.347 -9.879 1.00 1.00 O ATOM 1942 CB LYS A 121 -2.525 -0.444 -9.607 1.00 0.49 C ATOM 1943 CG LYS A 121 -2.920 0.543 -10.708 1.00 1.07 C ATOM 1944 CD LYS A 121 -3.351 -0.233 -11.956 1.00 1.94 C ATOM 1945 CE LYS A 121 -2.126 -0.529 -12.823 1.00 1.61 C ATOM 1946 NZ LYS A 121 -1.976 -2.002 -12.991 1.00 3.02 N ATOM 0 H LYS A 121 -2.487 -2.211 -7.857 1.00 0.44 H new ATOM 0 HA LYS A 121 -3.917 0.316 -8.128 1.00 0.51 H new ATOM 0 HB2 LYS A 121 -1.645 -0.079 -9.077 1.00 0.49 H new ATOM 0 HB3 LYS A 121 -2.256 -1.404 -10.047 1.00 0.49 H new ATOM 0 HG2 LYS A 121 -3.734 1.182 -10.364 1.00 1.07 H new ATOM 0 HG3 LYS A 121 -2.080 1.196 -10.944 1.00 1.07 H new ATOM 0 HD2 LYS A 121 -3.839 -1.164 -11.667 1.00 1.94 H new ATOM 0 HD3 LYS A 121 -4.080 0.346 -12.523 1.00 1.94 H new ATOM 0 HE2 LYS A 121 -2.233 -0.051 -13.797 1.00 1.61 H new ATOM 0 HE3 LYS A 121 -1.231 -0.113 -12.360 1.00 1.61 H new ATOM 0 HZ1 LYS A 121 -1.143 -2.201 -13.581 1.00 3.02 H new ATOM 0 HZ2 LYS A 121 -1.855 -2.447 -12.059 1.00 3.02 H new ATOM 0 HZ3 LYS A 121 -2.826 -2.387 -13.451 1.00 3.02 H new ATOM 1960 N THR A 122 -4.986 -2.396 -9.586 1.00 0.35 N ATOM 1961 CA THR A 122 -6.111 -2.978 -10.368 1.00 0.40 C ATOM 1962 C THR A 122 -7.402 -2.975 -9.543 1.00 0.52 C ATOM 1963 O THR A 122 -8.461 -2.638 -10.030 1.00 0.64 O ATOM 1964 CB THR A 122 -5.754 -4.418 -10.767 1.00 0.36 C ATOM 1965 OG1 THR A 122 -4.527 -4.809 -10.169 1.00 0.29 O ATOM 1966 CG2 THR A 122 -5.611 -4.493 -12.282 1.00 0.37 C ATOM 0 H THR A 122 -4.323 -3.077 -9.215 1.00 0.35 H new ATOM 0 HA THR A 122 -6.273 -2.374 -11.261 1.00 0.40 H new ATOM 0 HB THR A 122 -6.545 -5.086 -10.425 1.00 0.36 H new ATOM 0 HG1 THR A 122 -4.152 -5.570 -10.659 1.00 0.29 H new ATOM 0 HG21 THR A 122 -5.358 -5.512 -12.574 1.00 0.37 H new ATOM 0 HG22 THR A 122 -6.552 -4.205 -12.751 1.00 0.37 H new ATOM 0 HG23 THR A 122 -4.821 -3.816 -12.607 1.00 0.37 H new ATOM 1974 N ILE A 123 -7.322 -3.368 -8.310 1.00 0.53 N ATOM 1975 CA ILE A 123 -8.541 -3.417 -7.449 1.00 0.67 C ATOM 1976 C ILE A 123 -9.015 -2.007 -7.074 1.00 0.61 C ATOM 1977 O ILE A 123 -10.197 -1.760 -6.948 1.00 0.69 O ATOM 1978 CB ILE A 123 -8.222 -4.185 -6.168 1.00 0.78 C ATOM 1979 CG1 ILE A 123 -7.726 -5.588 -6.522 1.00 0.77 C ATOM 1980 CG2 ILE A 123 -9.484 -4.291 -5.310 1.00 1.07 C ATOM 1981 CD1 ILE A 123 -8.906 -6.440 -6.993 1.00 1.02 C ATOM 0 H ILE A 123 -6.459 -3.661 -7.852 1.00 0.53 H new ATOM 0 HA ILE A 123 -9.333 -3.914 -8.009 1.00 0.67 H new ATOM 0 HB ILE A 123 -7.447 -3.657 -5.612 1.00 0.78 H new ATOM 0 HG12 ILE A 123 -6.969 -5.531 -7.304 1.00 0.77 H new ATOM 0 HG13 ILE A 123 -7.254 -6.049 -5.654 1.00 0.77 H new ATOM 0 HG21 ILE A 123 -9.257 -4.839 -4.395 1.00 1.07 H new ATOM 0 HG22 ILE A 123 -9.836 -3.291 -5.056 1.00 1.07 H new ATOM 0 HG23 ILE A 123 -10.259 -4.818 -5.866 1.00 1.07 H new ATOM 0 HD11 ILE A 123 -8.555 -7.440 -7.246 1.00 1.02 H new ATOM 0 HD12 ILE A 123 -9.648 -6.506 -6.197 1.00 1.02 H new ATOM 0 HD13 ILE A 123 -9.358 -5.981 -7.872 1.00 1.02 H new ATOM 1993 N MET A 124 -8.117 -1.089 -6.861 1.00 0.46 N ATOM 1994 CA MET A 124 -8.550 0.284 -6.459 1.00 0.40 C ATOM 1995 C MET A 124 -8.934 1.124 -7.684 1.00 0.63 C ATOM 1996 O MET A 124 -9.968 1.755 -7.711 1.00 0.87 O ATOM 1997 CB MET A 124 -7.418 0.980 -5.697 1.00 0.26 C ATOM 1998 CG MET A 124 -7.739 0.984 -4.200 1.00 1.13 C ATOM 1999 SD MET A 124 -6.265 0.509 -3.263 1.00 0.80 S ATOM 2000 CE MET A 124 -5.978 2.110 -2.469 1.00 0.57 C ATOM 0 H MET A 124 -7.109 -1.224 -6.946 1.00 0.46 H new ATOM 0 HA MET A 124 -9.426 0.190 -5.817 1.00 0.40 H new ATOM 0 HB2 MET A 124 -6.474 0.465 -5.876 1.00 0.26 H new ATOM 0 HB3 MET A 124 -7.297 2.002 -6.057 1.00 0.26 H new ATOM 0 HG2 MET A 124 -8.075 1.974 -3.892 1.00 1.13 H new ATOM 0 HG3 MET A 124 -8.554 0.292 -3.991 1.00 1.13 H new ATOM 0 HE1 MET A 124 -4.954 2.153 -2.097 1.00 0.57 H new ATOM 0 HE2 MET A 124 -6.135 2.909 -3.194 1.00 0.57 H new ATOM 0 HE3 MET A 124 -6.672 2.233 -1.637 1.00 0.57 H new ATOM 2010 N ARG A 125 -8.110 1.165 -8.684 1.00 0.83 N ATOM 2011 CA ARG A 125 -8.445 2.000 -9.876 1.00 1.31 C ATOM 2012 C ARG A 125 -9.607 1.389 -10.669 1.00 1.63 C ATOM 2013 O ARG A 125 -10.362 2.093 -11.308 1.00 2.01 O ATOM 2014 CB ARG A 125 -7.217 2.110 -10.783 1.00 1.55 C ATOM 2015 CG ARG A 125 -7.040 3.567 -11.217 1.00 2.23 C ATOM 2016 CD ARG A 125 -5.609 3.784 -11.713 1.00 3.24 C ATOM 2017 NE ARG A 125 -5.357 2.913 -12.898 1.00 3.04 N ATOM 2018 CZ ARG A 125 -4.329 3.124 -13.688 1.00 3.75 C ATOM 2019 NH1 ARG A 125 -3.489 4.107 -13.465 1.00 4.53 N ATOM 2020 NH2 ARG A 125 -4.141 2.340 -14.714 1.00 3.96 N ATOM 0 H ARG A 125 -7.224 0.663 -8.735 1.00 0.83 H new ATOM 0 HA ARG A 125 -8.745 2.988 -9.528 1.00 1.31 H new ATOM 0 HB2 ARG A 125 -6.328 1.765 -10.255 1.00 1.55 H new ATOM 0 HB3 ARG A 125 -7.337 1.470 -11.657 1.00 1.55 H new ATOM 0 HG2 ARG A 125 -7.750 3.811 -12.007 1.00 2.23 H new ATOM 0 HG3 ARG A 125 -7.251 4.234 -10.381 1.00 2.23 H new ATOM 0 HD2 ARG A 125 -5.459 4.830 -11.979 1.00 3.24 H new ATOM 0 HD3 ARG A 125 -4.898 3.552 -10.920 1.00 3.24 H new ATOM 0 HE ARG A 125 -5.993 2.141 -13.098 1.00 3.04 H new ATOM 0 HH11 ARG A 125 -3.628 4.725 -12.666 1.00 4.53 H new ATOM 0 HH12 ARG A 125 -2.697 4.253 -14.091 1.00 4.53 H new ATOM 0 HH21 ARG A 125 -4.789 1.573 -14.895 1.00 3.96 H new ATOM 0 HH22 ARG A 125 -3.346 2.494 -15.335 1.00 3.96 H new ATOM 2034 N GLU A 126 -9.744 0.093 -10.664 1.00 1.54 N ATOM 2035 CA GLU A 126 -10.843 -0.538 -11.455 1.00 1.95 C ATOM 2036 C GLU A 126 -12.124 -0.727 -10.625 1.00 1.92 C ATOM 2037 O GLU A 126 -13.217 -0.577 -11.133 1.00 2.16 O ATOM 2038 CB GLU A 126 -10.376 -1.900 -11.969 1.00 2.19 C ATOM 2039 CG GLU A 126 -10.901 -2.119 -13.390 1.00 2.67 C ATOM 2040 CD GLU A 126 -10.812 -3.604 -13.746 1.00 2.41 C ATOM 2041 OE1 GLU A 126 -11.113 -4.418 -12.889 1.00 1.40 O ATOM 2042 OE2 GLU A 126 -10.443 -3.901 -14.871 1.00 3.27 O ATOM 0 H GLU A 126 -9.148 -0.556 -10.150 1.00 1.54 H new ATOM 0 HA GLU A 126 -11.078 0.130 -12.283 1.00 1.95 H new ATOM 0 HB2 GLU A 126 -9.287 -1.949 -11.961 1.00 2.19 H new ATOM 0 HB3 GLU A 126 -10.736 -2.691 -11.311 1.00 2.19 H new ATOM 0 HG2 GLU A 126 -11.934 -1.778 -13.464 1.00 2.67 H new ATOM 0 HG3 GLU A 126 -10.319 -1.529 -14.098 1.00 2.67 H new ATOM 2049 N LYS A 127 -12.015 -1.098 -9.376 1.00 1.69 N ATOM 2050 CA LYS A 127 -13.254 -1.339 -8.571 1.00 1.79 C ATOM 2051 C LYS A 127 -13.730 -0.073 -7.850 1.00 1.52 C ATOM 2052 O LYS A 127 -14.914 0.119 -7.658 1.00 1.72 O ATOM 2053 CB LYS A 127 -12.986 -2.434 -7.537 1.00 1.82 C ATOM 2054 CG LYS A 127 -14.319 -2.955 -6.995 1.00 1.75 C ATOM 2055 CD LYS A 127 -14.478 -4.433 -7.357 1.00 2.24 C ATOM 2056 CE LYS A 127 -15.047 -4.557 -8.771 1.00 4.03 C ATOM 2057 NZ LYS A 127 -14.318 -5.629 -9.506 1.00 4.70 N ATOM 0 H LYS A 127 -11.135 -1.244 -8.882 1.00 1.69 H new ATOM 0 HA LYS A 127 -14.039 -1.647 -9.261 1.00 1.79 H new ATOM 0 HB2 LYS A 127 -12.422 -3.249 -7.991 1.00 1.82 H new ATOM 0 HB3 LYS A 127 -12.378 -2.040 -6.722 1.00 1.82 H new ATOM 0 HG2 LYS A 127 -14.357 -2.829 -5.913 1.00 1.75 H new ATOM 0 HG3 LYS A 127 -15.144 -2.377 -7.412 1.00 1.75 H new ATOM 0 HD2 LYS A 127 -13.514 -4.938 -7.297 1.00 2.24 H new ATOM 0 HD3 LYS A 127 -15.140 -4.923 -6.643 1.00 2.24 H new ATOM 0 HE2 LYS A 127 -16.111 -4.790 -8.728 1.00 4.03 H new ATOM 0 HE3 LYS A 127 -14.949 -3.608 -9.299 1.00 4.03 H new ATOM 0 HZ1 LYS A 127 -14.704 -5.715 -10.468 1.00 4.70 H new ATOM 0 HZ2 LYS A 127 -13.308 -5.389 -9.558 1.00 4.70 H new ATOM 0 HZ3 LYS A 127 -14.433 -6.533 -9.005 1.00 4.70 H new ATOM 2071 N TYR A 128 -12.846 0.788 -7.433 1.00 1.10 N ATOM 2072 CA TYR A 128 -13.314 2.012 -6.719 1.00 0.84 C ATOM 2073 C TYR A 128 -13.597 3.145 -7.716 1.00 1.13 C ATOM 2074 O TYR A 128 -13.787 4.282 -7.331 1.00 1.11 O ATOM 2075 CB TYR A 128 -12.259 2.465 -5.704 1.00 0.29 C ATOM 2076 CG TYR A 128 -12.172 1.455 -4.584 1.00 1.20 C ATOM 2077 CD1 TYR A 128 -11.692 0.163 -4.838 1.00 2.39 C ATOM 2078 CD2 TYR A 128 -12.570 1.810 -3.290 1.00 1.79 C ATOM 2079 CE1 TYR A 128 -11.610 -0.771 -3.799 1.00 3.28 C ATOM 2080 CE2 TYR A 128 -12.489 0.874 -2.251 1.00 2.75 C ATOM 2081 CZ TYR A 128 -12.009 -0.415 -2.506 1.00 3.29 C ATOM 2082 OH TYR A 128 -11.927 -1.336 -1.482 1.00 4.33 O ATOM 0 H TYR A 128 -11.836 0.703 -7.551 1.00 1.10 H new ATOM 0 HA TYR A 128 -14.238 1.771 -6.193 1.00 0.84 H new ATOM 0 HB2 TYR A 128 -11.290 2.567 -6.192 1.00 0.29 H new ATOM 0 HB3 TYR A 128 -12.520 3.445 -5.305 1.00 0.29 H new ATOM 0 HD1 TYR A 128 -11.385 -0.112 -5.836 1.00 2.39 H new ATOM 0 HD2 TYR A 128 -12.940 2.805 -3.093 1.00 1.79 H new ATOM 0 HE1 TYR A 128 -11.239 -1.766 -3.995 1.00 3.28 H new ATOM 0 HE2 TYR A 128 -12.797 1.148 -1.253 1.00 2.75 H new ATOM 0 HH TYR A 128 -11.149 -1.134 -0.922 1.00 4.33 H new