USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 442 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 66 SER OG : rot 111:sc= -1.05 USER MOD Set 1.2: A 78 SER OG : rot -100:sc= -0.253! USER MOD Set 2.1: A 67 THR OG1 : rot 180:sc= -0.741 USER MOD Set 2.2: A 68 ASN : amide:sc= 0.454 K(o=-0.29,f=0.54) USER MOD Set 3.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 64 THR OG1 : rot 180:sc= 0.00744 USER MOD Set 4.1: A 26 THR OG1 : rot -77:sc= -1.85 USER MOD Set 4.2: A 37 ASN : amide:sc= -5.43! C(o=-7.3!,f=-21!) USER MOD Set 4.3: A 38 THR OG1 : rot 180:sc= -0.0586 USER MOD Set 5.1: A 20 ASN : amide:sc= -0.827 X(o=-2,f=-1.7) USER MOD Set 5.2: A 32 HIS : no HD1:sc= -1.2 K(o=-2,f=-0.76) USER MOD Set 6.1: A 31 GLN : amide:sc= -0.104 K(o=-0.89,f=-4.4!) USER MOD Set 6.2: A 43 THR OG1 : rot 180:sc= -0.788! USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -41:sc= 0.0181 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -3.14! K(o=-3.1!,f=-0.58) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -6.46! C(o=-6.5!,f=-15!) USER MOD Single : A 30 SER OG : rot -85:sc= -1.77! USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.227! USER MOD Single : A 42 SER OG : rot -58:sc= -4.76! USER MOD Single : A 46 ASN : amide:sc= -0.93 K(o=-0.93,f=-1.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0046 X(o=-0.0046,f=-0.16) USER MOD Single : A 50 THR OG1 : rot 1:sc= 0.0767 USER MOD Single : A 53 ASN : amide:sc= -0.444 X(o=-0.44,f=0) USER MOD Single : A 54 SER OG : rot -141:sc= -1.22 USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= -0.097 (180deg=-0.46) USER MOD Single : A 61 ASN : amide:sc= -0.1 X(o=-0.1,f=-0.0039) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.006) USER MOD Single : A 79 SER OG : rot -175:sc= -1.01 USER MOD ----------------------------------------------------------------- ATOM 80 N CYS A 8 -6.053 15.813 -7.495 1.00 0.00 N ATOM 81 CA CYS A 8 -5.126 16.137 -6.416 1.00 0.00 C ATOM 82 C CYS A 8 -3.884 16.838 -6.958 1.00 0.00 C ATOM 83 O CYS A 8 -3.183 16.305 -7.817 1.00 0.00 O ATOM 84 CB CYS A 8 -4.722 14.867 -5.665 1.00 0.00 C ATOM 85 SG CYS A 8 -5.858 14.413 -4.315 1.00 0.00 S ATOM 0 HA CYS A 8 -5.631 16.814 -5.727 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.667 14.040 -6.373 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -3.721 15.003 -5.254 1.00 0.00 H new ATOM 90 N THR A 9 -3.620 18.036 -6.447 1.00 0.00 N ATOM 91 CA THR A 9 -2.465 18.812 -6.877 1.00 0.00 C ATOM 92 C THR A 9 -1.809 19.510 -5.690 1.00 0.00 C ATOM 93 O THR A 9 -2.493 20.066 -4.831 1.00 0.00 O ATOM 94 CB THR A 9 -2.879 19.845 -7.926 1.00 0.00 C ATOM 95 OG1 THR A 9 -1.786 20.678 -8.267 1.00 0.00 O ATOM 96 CG2 THR A 9 -4.012 20.738 -7.470 1.00 0.00 C ATOM 0 H THR A 9 -4.191 18.490 -5.734 1.00 0.00 H new ATOM 0 HA THR A 9 -1.742 18.127 -7.319 1.00 0.00 H new ATOM 0 HB THR A 9 -3.217 19.266 -8.785 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.070 21.331 -8.940 1.00 0.00 H new ATOM 0 HG21 THR A 9 -4.257 21.448 -8.260 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.888 20.129 -7.245 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.709 21.282 -6.575 1.00 0.00 H new ATOM 104 N SER A 10 -0.477 19.471 -5.651 1.00 0.00 N ATOM 105 CA SER A 10 0.293 20.097 -4.572 1.00 0.00 C ATOM 106 C SER A 10 0.375 19.193 -3.341 1.00 0.00 C ATOM 107 O SER A 10 1.160 19.450 -2.430 1.00 0.00 O ATOM 108 CB SER A 10 -0.308 21.452 -4.185 1.00 0.00 C ATOM 109 OG SER A 10 0.651 22.268 -3.535 1.00 0.00 O ATOM 0 H SER A 10 0.095 19.010 -6.358 1.00 0.00 H new ATOM 0 HA SER A 10 1.304 20.253 -4.948 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.676 21.958 -5.077 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.165 21.299 -3.529 1.00 0.00 H new ATOM 0 HG SER A 10 1.181 21.721 -2.918 1.00 0.00 H new ATOM 115 N CYS A 11 -0.431 18.132 -3.316 1.00 0.00 N ATOM 116 CA CYS A 11 -0.429 17.205 -2.191 1.00 0.00 C ATOM 117 C CYS A 11 0.606 16.104 -2.402 1.00 0.00 C ATOM 118 O CYS A 11 1.108 15.917 -3.510 1.00 0.00 O ATOM 119 CB CYS A 11 -1.817 16.590 -2.007 1.00 0.00 C ATOM 120 SG CYS A 11 -3.163 17.815 -1.888 1.00 0.00 S ATOM 0 H CYS A 11 -1.089 17.896 -4.059 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.166 17.761 -1.291 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.021 15.922 -2.844 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.815 15.979 -1.104 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.298 17.199 -1.736 1.00 0.00 H new ATOM 125 N THR A 12 0.923 15.380 -1.334 1.00 0.00 N ATOM 126 CA THR A 12 1.899 14.298 -1.407 1.00 0.00 C ATOM 127 C THR A 12 1.503 13.143 -0.491 1.00 0.00 C ATOM 128 O THR A 12 1.639 11.975 -0.854 1.00 0.00 O ATOM 129 CB THR A 12 3.293 14.810 -1.038 1.00 0.00 C ATOM 130 OG1 THR A 12 4.282 13.853 -1.370 1.00 0.00 O ATOM 131 CG2 THR A 12 3.448 15.137 0.432 1.00 0.00 C ATOM 0 H THR A 12 0.519 15.522 -0.408 1.00 0.00 H new ATOM 0 HA THR A 12 1.919 13.930 -2.433 1.00 0.00 H new ATOM 0 HB THR A 12 3.420 15.729 -1.611 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.166 14.199 -1.128 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.461 15.494 0.621 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.733 15.911 0.710 1.00 0.00 H new ATOM 0 HG23 THR A 12 3.262 14.242 1.025 1.00 0.00 H new ATOM 139 N GLY A 13 1.017 13.480 0.700 1.00 0.00 N ATOM 140 CA GLY A 13 0.613 12.463 1.651 1.00 0.00 C ATOM 141 C GLY A 13 -0.534 11.609 1.147 1.00 0.00 C ATOM 142 O GLY A 13 -0.540 11.181 -0.006 1.00 0.00 O ATOM 0 H GLY A 13 0.896 14.440 1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.466 11.822 1.875 1.00 0.00 H new ATOM 0 HA3 GLY A 13 0.320 12.942 2.585 1.00 0.00 H new ATOM 146 N ALA A 14 -1.508 11.359 2.017 1.00 0.00 N ATOM 147 CA ALA A 14 -2.664 10.546 1.657 1.00 0.00 C ATOM 148 C ALA A 14 -3.695 11.360 0.883 1.00 0.00 C ATOM 149 O ALA A 14 -3.744 12.586 0.991 1.00 0.00 O ATOM 150 CB ALA A 14 -3.293 9.946 2.906 1.00 0.00 C ATOM 0 H ALA A 14 -1.519 11.708 2.976 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.320 9.740 1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.155 9.341 2.625 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.562 9.320 3.417 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.614 10.747 3.572 1.00 0.00 H new ATOM 156 N CYS A 15 -4.518 10.669 0.100 1.00 0.00 N ATOM 157 CA CYS A 15 -5.552 11.324 -0.696 1.00 0.00 C ATOM 158 C CYS A 15 -6.831 10.491 -0.725 1.00 0.00 C ATOM 159 O CYS A 15 -6.796 9.273 -0.550 1.00 0.00 O ATOM 160 CB CYS A 15 -5.061 11.574 -2.128 1.00 0.00 C ATOM 161 SG CYS A 15 -3.683 10.501 -2.657 1.00 0.00 S ATOM 0 H CYS A 15 -4.489 9.654 -0.001 1.00 0.00 H new ATOM 0 HA CYS A 15 -5.772 12.283 -0.226 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.897 11.435 -2.814 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.748 12.614 -2.214 1.00 0.00 H new ATOM 166 N THR A 16 -7.957 11.159 -0.952 1.00 0.00 N ATOM 167 CA THR A 16 -9.251 10.491 -1.012 1.00 0.00 C ATOM 168 C THR A 16 -10.103 11.085 -2.127 1.00 0.00 C ATOM 169 O THR A 16 -10.154 12.303 -2.296 1.00 0.00 O ATOM 170 CB THR A 16 -9.979 10.615 0.327 1.00 0.00 C ATOM 171 OG1 THR A 16 -9.989 11.962 0.768 1.00 0.00 O ATOM 172 CG2 THR A 16 -9.363 9.776 1.425 1.00 0.00 C ATOM 0 H THR A 16 -7.999 12.168 -1.098 1.00 0.00 H new ATOM 0 HA THR A 16 -9.083 9.435 -1.222 1.00 0.00 H new ATOM 0 HB THR A 16 -10.990 10.252 0.141 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.460 12.022 1.625 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.929 9.911 2.347 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.386 8.725 1.136 1.00 0.00 H new ATOM 0 HG23 THR A 16 -8.330 10.086 1.584 1.00 0.00 H new ATOM 180 N GLY A 17 -10.763 10.222 -2.892 1.00 0.00 N ATOM 181 CA GLY A 17 -11.594 10.693 -3.987 1.00 0.00 C ATOM 182 C GLY A 17 -10.814 11.557 -4.960 1.00 0.00 C ATOM 183 O GLY A 17 -11.231 12.667 -5.289 1.00 0.00 O ATOM 0 H GLY A 17 -10.738 9.209 -2.775 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -12.014 9.838 -4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -12.432 11.263 -3.587 1.00 0.00 H new ATOM 187 N CYS A 18 -9.676 11.042 -5.413 1.00 0.00 N ATOM 188 CA CYS A 18 -8.822 11.765 -6.349 1.00 0.00 C ATOM 189 C CYS A 18 -8.403 10.865 -7.510 1.00 0.00 C ATOM 190 O CYS A 18 -7.669 9.895 -7.320 1.00 0.00 O ATOM 191 CB CYS A 18 -7.579 12.291 -5.628 1.00 0.00 C ATOM 192 SG CYS A 18 -7.624 14.073 -5.258 1.00 0.00 S ATOM 0 H CYS A 18 -9.323 10.123 -5.146 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.390 12.605 -6.749 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -7.455 11.741 -4.695 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.702 12.081 -6.241 1.00 0.00 H new ATOM 197 N GLY A 19 -8.868 11.196 -8.713 1.00 0.00 N ATOM 198 CA GLY A 19 -8.526 10.410 -9.889 1.00 0.00 C ATOM 199 C GLY A 19 -7.049 10.062 -9.950 1.00 0.00 C ATOM 200 O GLY A 19 -6.669 9.032 -10.509 1.00 0.00 O ATOM 0 H GLY A 19 -9.476 11.995 -8.895 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.112 9.491 -9.890 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.802 10.965 -10.785 1.00 0.00 H new ATOM 204 N ASN A 20 -6.218 10.920 -9.369 1.00 0.00 N ATOM 205 CA ASN A 20 -4.777 10.701 -9.353 1.00 0.00 C ATOM 206 C ASN A 20 -4.196 11.039 -7.983 1.00 0.00 C ATOM 207 O ASN A 20 -4.702 11.914 -7.282 1.00 0.00 O ATOM 208 CB ASN A 20 -4.098 11.546 -10.432 1.00 0.00 C ATOM 209 CG ASN A 20 -2.604 11.297 -10.508 1.00 0.00 C ATOM 210 OD1 ASN A 20 -2.147 10.408 -11.227 1.00 0.00 O ATOM 211 ND2 ASN A 20 -1.834 12.081 -9.763 1.00 0.00 N ATOM 0 H ASN A 20 -6.519 11.775 -8.902 1.00 0.00 H new ATOM 0 HA ASN A 20 -4.590 9.647 -9.560 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.550 11.326 -11.399 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.278 12.602 -10.229 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -0.821 11.959 -9.772 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.255 12.806 -9.182 1.00 0.00 H new ATOM 218 N CYS A 21 -3.129 10.340 -7.606 1.00 0.00 N ATOM 219 CA CYS A 21 -2.481 10.568 -6.320 1.00 0.00 C ATOM 220 C CYS A 21 -0.969 10.708 -6.493 1.00 0.00 C ATOM 221 O CYS A 21 -0.350 9.947 -7.236 1.00 0.00 O ATOM 222 CB CYS A 21 -2.802 9.426 -5.354 1.00 0.00 C ATOM 223 SG CYS A 21 -4.333 9.678 -4.395 1.00 0.00 S ATOM 0 H CYS A 21 -2.696 9.611 -8.173 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.865 11.499 -5.903 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -2.888 8.498 -5.919 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.968 9.302 -4.663 1.00 0.00 H new ATOM 228 N PRO A 22 -0.355 11.700 -5.823 1.00 0.00 N ATOM 229 CA PRO A 22 1.080 11.952 -5.919 1.00 0.00 C ATOM 230 C PRO A 22 1.910 11.159 -4.911 1.00 0.00 C ATOM 231 O PRO A 22 2.146 11.614 -3.792 1.00 0.00 O ATOM 232 CB PRO A 22 1.165 13.443 -5.618 1.00 0.00 C ATOM 233 CG PRO A 22 0.058 13.695 -4.647 1.00 0.00 C ATOM 234 CD PRO A 22 -1.016 12.672 -4.932 1.00 0.00 C ATOM 0 HA PRO A 22 1.482 11.651 -6.886 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.133 13.707 -5.193 1.00 0.00 H new ATOM 0 HB3 PRO A 22 1.042 14.038 -6.523 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.416 13.604 -3.621 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -0.332 14.706 -4.760 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.369 12.198 -4.016 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -1.883 13.127 -5.411 1.00 0.00 H new ATOM 242 N ASN A 23 2.369 9.977 -5.324 1.00 0.00 N ATOM 243 CA ASN A 23 3.196 9.127 -4.468 1.00 0.00 C ATOM 244 C ASN A 23 2.555 8.922 -3.102 1.00 0.00 C ATOM 245 O ASN A 23 3.237 8.629 -2.121 1.00 0.00 O ATOM 246 CB ASN A 23 4.587 9.739 -4.296 1.00 0.00 C ATOM 247 CG ASN A 23 5.332 9.858 -5.612 1.00 0.00 C ATOM 248 OD1 ASN A 23 6.480 9.426 -5.730 1.00 0.00 O ATOM 249 ND2 ASN A 23 4.683 10.446 -6.609 1.00 0.00 N ATOM 0 H ASN A 23 2.181 9.586 -6.247 1.00 0.00 H new ATOM 0 HA ASN A 23 3.284 8.156 -4.955 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.493 10.726 -3.844 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.168 9.126 -3.607 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.134 10.555 -7.517 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.733 10.789 -6.467 1.00 0.00 H new ATOM 256 N ALA A 24 1.241 9.078 -3.050 1.00 0.00 N ATOM 257 CA ALA A 24 0.498 8.912 -1.804 1.00 0.00 C ATOM 258 C ALA A 24 0.875 7.612 -1.098 1.00 0.00 C ATOM 259 O ALA A 24 0.921 6.548 -1.718 1.00 0.00 O ATOM 260 CB ALA A 24 -0.996 8.951 -2.076 1.00 0.00 C ATOM 0 H ALA A 24 0.664 9.320 -3.856 1.00 0.00 H new ATOM 0 HA ALA A 24 0.762 9.738 -1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.540 8.826 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.259 9.909 -2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.262 8.145 -2.760 1.00 0.00 H new ATOM 266 N VAL A 25 1.144 7.707 0.200 1.00 0.00 N ATOM 267 CA VAL A 25 1.518 6.540 0.993 1.00 0.00 C ATOM 268 C VAL A 25 0.284 5.770 1.466 1.00 0.00 C ATOM 269 O VAL A 25 0.387 4.622 1.897 1.00 0.00 O ATOM 270 CB VAL A 25 2.364 6.942 2.217 1.00 0.00 C ATOM 271 CG1 VAL A 25 1.575 7.863 3.138 1.00 0.00 C ATOM 272 CG2 VAL A 25 2.844 5.708 2.966 1.00 0.00 C ATOM 0 H VAL A 25 1.110 8.580 0.726 1.00 0.00 H new ATOM 0 HA VAL A 25 2.113 5.896 0.345 1.00 0.00 H new ATOM 0 HB VAL A 25 3.240 7.486 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 25 2.191 8.135 3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.291 8.764 2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.678 7.350 3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.439 6.013 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.984 5.131 3.306 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.453 5.094 2.303 1.00 0.00 H new ATOM 282 N THR A 26 -0.880 6.408 1.382 1.00 0.00 N ATOM 283 CA THR A 26 -2.130 5.782 1.798 1.00 0.00 C ATOM 284 C THR A 26 -3.324 6.546 1.238 1.00 0.00 C ATOM 285 O THR A 26 -3.342 7.777 1.246 1.00 0.00 O ATOM 286 CB THR A 26 -2.218 5.723 3.324 1.00 0.00 C ATOM 287 OG1 THR A 26 -0.948 5.944 3.910 1.00 0.00 O ATOM 288 CG2 THR A 26 -2.738 4.398 3.842 1.00 0.00 C ATOM 0 H THR A 26 -0.983 7.359 1.029 1.00 0.00 H new ATOM 0 HA THR A 26 -2.148 4.766 1.405 1.00 0.00 H new ATOM 0 HB THR A 26 -2.922 6.507 3.603 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.409 5.129 3.840 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.776 4.423 4.931 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.739 4.221 3.448 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.074 3.596 3.520 1.00 0.00 H new ATOM 296 N CYS A 27 -4.318 5.815 0.748 1.00 0.00 N ATOM 297 CA CYS A 27 -5.509 6.438 0.181 1.00 0.00 C ATOM 298 C CYS A 27 -6.713 5.510 0.268 1.00 0.00 C ATOM 299 O CYS A 27 -6.602 4.304 0.047 1.00 0.00 O ATOM 300 CB CYS A 27 -5.276 6.842 -1.283 1.00 0.00 C ATOM 301 SG CYS A 27 -3.772 6.144 -2.043 1.00 0.00 S ATOM 0 H CYS A 27 -4.324 4.795 0.731 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.714 7.333 0.768 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.140 6.533 -1.872 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.223 7.929 -1.341 1.00 0.00 H new ATOM 306 N THR A 28 -7.869 6.090 0.571 1.00 0.00 N ATOM 307 CA THR A 28 -9.107 5.331 0.666 1.00 0.00 C ATOM 308 C THR A 28 -9.885 5.460 -0.636 1.00 0.00 C ATOM 309 O THR A 28 -10.520 6.483 -0.888 1.00 0.00 O ATOM 310 CB THR A 28 -9.953 5.833 1.837 1.00 0.00 C ATOM 311 OG1 THR A 28 -9.217 5.782 3.046 1.00 0.00 O ATOM 312 CG2 THR A 28 -11.224 5.040 2.042 1.00 0.00 C ATOM 0 H THR A 28 -7.973 7.088 0.755 1.00 0.00 H new ATOM 0 HA THR A 28 -8.867 4.282 0.840 1.00 0.00 H new ATOM 0 HB THR A 28 -10.221 6.858 1.579 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.775 6.109 3.783 1.00 0.00 H new ATOM 0 HG21 THR A 28 -11.776 5.449 2.888 1.00 0.00 H new ATOM 0 HG22 THR A 28 -11.839 5.100 1.144 1.00 0.00 H new ATOM 0 HG23 THR A 28 -10.974 3.998 2.242 1.00 0.00 H new ATOM 320 N ASN A 29 -9.810 4.427 -1.472 1.00 0.00 N ATOM 321 CA ASN A 29 -10.473 4.423 -2.749 1.00 0.00 C ATOM 322 C ASN A 29 -9.701 5.286 -3.733 1.00 0.00 C ATOM 323 O ASN A 29 -8.579 5.713 -3.462 1.00 0.00 O ATOM 324 CB ASN A 29 -11.924 4.906 -2.630 1.00 0.00 C ATOM 325 CG ASN A 29 -12.682 4.197 -1.524 1.00 0.00 C ATOM 326 OD1 ASN A 29 -12.330 4.300 -0.349 1.00 0.00 O ATOM 327 ND2 ASN A 29 -13.731 3.473 -1.896 1.00 0.00 N ATOM 0 H ASN A 29 -9.285 3.575 -1.272 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.499 3.397 -3.117 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.932 5.980 -2.442 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.436 4.745 -3.579 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -14.281 2.974 -1.196 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -13.987 3.415 -2.882 1.00 0.00 H new ATOM 334 N SER A 30 -10.318 5.525 -4.869 1.00 0.00 N ATOM 335 CA SER A 30 -9.728 6.335 -5.939 1.00 0.00 C ATOM 336 C SER A 30 -8.777 5.505 -6.804 1.00 0.00 C ATOM 337 O SER A 30 -8.930 4.290 -6.909 1.00 0.00 O ATOM 338 CB SER A 30 -8.989 7.544 -5.351 1.00 0.00 C ATOM 339 OG SER A 30 -9.333 8.726 -6.044 1.00 0.00 O ATOM 0 H SER A 30 -11.247 5.166 -5.088 1.00 0.00 H new ATOM 0 HA SER A 30 -10.540 6.690 -6.574 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.238 7.650 -4.295 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.913 7.382 -5.410 1.00 0.00 H new ATOM 0 HG SER A 30 -8.769 8.814 -6.841 1.00 0.00 H new ATOM 345 N GLN A 31 -7.809 6.159 -7.443 1.00 0.00 N ATOM 346 CA GLN A 31 -6.864 5.457 -8.302 1.00 0.00 C ATOM 347 C GLN A 31 -5.451 6.010 -8.145 1.00 0.00 C ATOM 348 O GLN A 31 -5.255 7.111 -7.630 1.00 0.00 O ATOM 349 CB GLN A 31 -7.302 5.560 -9.763 1.00 0.00 C ATOM 350 CG GLN A 31 -6.806 4.412 -10.628 1.00 0.00 C ATOM 351 CD GLN A 31 -7.620 4.242 -11.895 1.00 0.00 C ATOM 352 OE1 GLN A 31 -8.210 3.188 -12.131 1.00 0.00 O ATOM 353 NE2 GLN A 31 -7.656 5.283 -12.720 1.00 0.00 N ATOM 0 H GLN A 31 -7.661 7.166 -7.382 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.854 4.410 -8.000 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.391 5.593 -9.806 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.938 6.500 -10.178 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.763 4.585 -10.892 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.840 3.487 -10.052 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.152 6.138 -12.485 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.188 5.227 -13.589 1.00 0.00 H new ATOM 362 N HIS A 32 -4.472 5.237 -8.607 1.00 0.00 N ATOM 363 CA HIS A 32 -3.069 5.637 -8.541 1.00 0.00 C ATOM 364 C HIS A 32 -2.536 5.603 -7.110 1.00 0.00 C ATOM 365 O HIS A 32 -2.009 6.597 -6.610 1.00 0.00 O ATOM 366 CB HIS A 32 -2.884 7.034 -9.136 1.00 0.00 C ATOM 367 CG HIS A 32 -1.498 7.285 -9.647 1.00 0.00 C ATOM 368 ND1 HIS A 32 -0.700 6.293 -10.177 1.00 0.00 N ATOM 369 CD2 HIS A 32 -0.768 8.424 -9.706 1.00 0.00 C ATOM 370 CE1 HIS A 32 0.460 6.810 -10.539 1.00 0.00 C ATOM 371 NE2 HIS A 32 0.444 8.101 -10.264 1.00 0.00 N ATOM 0 H HIS A 32 -4.626 4.324 -9.034 1.00 0.00 H new ATOM 0 HA HIS A 32 -2.497 4.918 -9.127 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -3.594 7.170 -9.952 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.124 7.779 -8.377 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.081 9.404 -9.376 1.00 0.00 H new ATOM 0 HE1 HIS A 32 1.282 6.269 -10.984 1.00 0.00 H new ATOM 0 HE2 HIS A 32 1.209 8.753 -10.438 1.00 0.00 H new ATOM 380 N CYS A 33 -2.662 4.451 -6.460 1.00 0.00 N ATOM 381 CA CYS A 33 -2.176 4.287 -5.094 1.00 0.00 C ATOM 382 C CYS A 33 -1.152 3.157 -5.030 1.00 0.00 C ATOM 383 O CYS A 33 -1.141 2.362 -4.090 1.00 0.00 O ATOM 384 CB CYS A 33 -3.340 3.996 -4.144 1.00 0.00 C ATOM 385 SG CYS A 33 -4.419 5.431 -3.831 1.00 0.00 S ATOM 0 H CYS A 33 -3.096 3.617 -6.856 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.696 5.215 -4.784 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.941 3.187 -4.559 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.940 3.641 -3.194 1.00 0.00 H new ATOM 390 N VAL A 34 -0.301 3.087 -6.051 1.00 0.00 N ATOM 391 CA VAL A 34 0.722 2.050 -6.136 1.00 0.00 C ATOM 392 C VAL A 34 1.672 2.094 -4.943 1.00 0.00 C ATOM 393 O VAL A 34 2.117 1.054 -4.458 1.00 0.00 O ATOM 394 CB VAL A 34 1.539 2.178 -7.438 1.00 0.00 C ATOM 395 CG1 VAL A 34 2.268 3.511 -7.485 1.00 0.00 C ATOM 396 CG2 VAL A 34 2.518 1.020 -7.572 1.00 0.00 C ATOM 0 H VAL A 34 -0.301 3.740 -6.834 1.00 0.00 H new ATOM 0 HA VAL A 34 0.198 1.094 -6.131 1.00 0.00 H new ATOM 0 HB VAL A 34 0.849 2.139 -8.281 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.838 3.581 -8.411 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.543 4.324 -7.443 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.946 3.585 -6.635 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.085 1.128 -8.497 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.203 1.022 -6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.968 0.079 -7.592 1.00 0.00 H new ATOM 406 N LYS A 35 1.985 3.298 -4.479 1.00 0.00 N ATOM 407 CA LYS A 35 2.888 3.464 -3.348 1.00 0.00 C ATOM 408 C LYS A 35 2.112 3.592 -2.039 1.00 0.00 C ATOM 409 O LYS A 35 2.549 4.271 -1.111 1.00 0.00 O ATOM 410 CB LYS A 35 3.773 4.695 -3.557 1.00 0.00 C ATOM 411 CG LYS A 35 4.944 4.788 -2.587 1.00 0.00 C ATOM 412 CD LYS A 35 5.737 3.491 -2.533 1.00 0.00 C ATOM 413 CE LYS A 35 6.334 3.143 -3.888 1.00 0.00 C ATOM 414 NZ LYS A 35 7.527 3.978 -4.201 1.00 0.00 N ATOM 0 H LYS A 35 1.628 4.171 -4.867 1.00 0.00 H new ATOM 0 HA LYS A 35 3.518 2.577 -3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.159 4.684 -4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.160 5.591 -3.458 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.601 5.604 -2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.573 5.029 -1.591 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.535 3.582 -1.796 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.088 2.680 -2.202 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.615 2.090 -3.901 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.580 3.282 -4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.904 3.710 -5.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.255 4.982 -4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.257 3.827 -3.476 1.00 0.00 H new ATOM 428 N ALA A 36 0.962 2.932 -1.970 1.00 0.00 N ATOM 429 CA ALA A 36 0.131 2.971 -0.774 1.00 0.00 C ATOM 430 C ALA A 36 0.252 1.673 0.015 1.00 0.00 C ATOM 431 O ALA A 36 0.057 0.586 -0.528 1.00 0.00 O ATOM 432 CB ALA A 36 -1.320 3.230 -1.148 1.00 0.00 C ATOM 0 H ALA A 36 0.584 2.364 -2.728 1.00 0.00 H new ATOM 0 HA ALA A 36 0.482 3.787 -0.142 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.929 3.257 -0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.397 4.186 -1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.675 2.433 -1.802 1.00 0.00 H new ATOM 438 N ASN A 37 0.578 1.793 1.297 1.00 0.00 N ATOM 439 CA ASN A 37 0.727 0.626 2.159 1.00 0.00 C ATOM 440 C ASN A 37 -0.595 -0.120 2.302 1.00 0.00 C ATOM 441 O ASN A 37 -0.618 -1.341 2.460 1.00 0.00 O ATOM 442 CB ASN A 37 1.238 1.045 3.539 1.00 0.00 C ATOM 443 CG ASN A 37 0.398 2.145 4.157 1.00 0.00 C ATOM 444 OD1 ASN A 37 -0.562 2.622 3.553 1.00 0.00 O ATOM 445 ND2 ASN A 37 0.757 2.554 5.368 1.00 0.00 N ATOM 0 H ASN A 37 0.744 2.685 1.762 1.00 0.00 H new ATOM 0 HA ASN A 37 1.453 -0.042 1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 37 1.241 0.179 4.201 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.270 1.384 3.453 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.229 3.292 5.834 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.560 2.130 5.832 1.00 0.00 H new ATOM 452 N THR A 38 -1.697 0.621 2.245 1.00 0.00 N ATOM 453 CA THR A 38 -3.024 0.029 2.369 1.00 0.00 C ATOM 454 C THR A 38 -4.036 0.786 1.517 1.00 0.00 C ATOM 455 O THR A 38 -4.115 2.013 1.575 1.00 0.00 O ATOM 456 CB THR A 38 -3.468 0.028 3.833 1.00 0.00 C ATOM 457 OG1 THR A 38 -2.347 0.074 4.697 1.00 0.00 O ATOM 458 CG2 THR A 38 -4.288 -1.188 4.208 1.00 0.00 C ATOM 0 H THR A 38 -1.697 1.633 2.114 1.00 0.00 H new ATOM 0 HA THR A 38 -2.974 -1.000 2.012 1.00 0.00 H new ATOM 0 HB THR A 38 -4.090 0.915 3.947 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.652 0.074 5.628 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.570 -1.126 5.259 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.187 -1.225 3.592 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.698 -2.090 4.043 1.00 0.00 H new ATOM 466 N CYS A 39 -4.809 0.049 0.727 1.00 0.00 N ATOM 467 CA CYS A 39 -5.815 0.655 -0.136 1.00 0.00 C ATOM 468 C CYS A 39 -7.083 -0.191 -0.175 1.00 0.00 C ATOM 469 O CYS A 39 -7.041 -1.401 0.042 1.00 0.00 O ATOM 470 CB CYS A 39 -5.264 0.835 -1.554 1.00 0.00 C ATOM 471 SG CYS A 39 -4.329 -0.601 -2.181 1.00 0.00 S ATOM 0 H CYS A 39 -4.758 -0.968 0.667 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.065 1.633 0.276 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.094 1.038 -2.231 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.617 1.712 -1.572 1.00 0.00 H new ATOM 476 N THR A 40 -8.208 0.455 -0.460 1.00 0.00 N ATOM 477 CA THR A 40 -9.490 -0.233 -0.541 1.00 0.00 C ATOM 478 C THR A 40 -10.049 -0.121 -1.965 1.00 0.00 C ATOM 479 O THR A 40 -9.411 -0.581 -2.908 1.00 0.00 O ATOM 480 CB THR A 40 -10.461 0.342 0.498 1.00 0.00 C ATOM 481 OG1 THR A 40 -11.783 -0.110 0.258 1.00 0.00 O ATOM 482 CG2 THR A 40 -10.490 1.856 0.521 1.00 0.00 C ATOM 0 H THR A 40 -8.257 1.458 -0.639 1.00 0.00 H new ATOM 0 HA THR A 40 -9.355 -1.291 -0.316 1.00 0.00 H new ATOM 0 HB THR A 40 -10.092 -0.012 1.461 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.385 0.267 0.933 1.00 0.00 H new ATOM 0 HG21 THR A 40 -11.197 2.195 1.278 1.00 0.00 H new ATOM 0 HG22 THR A 40 -9.496 2.235 0.757 1.00 0.00 H new ATOM 0 HG23 THR A 40 -10.798 2.229 -0.456 1.00 0.00 H new ATOM 490 N GLY A 41 -11.223 0.497 -2.126 1.00 0.00 N ATOM 491 CA GLY A 41 -11.802 0.655 -3.450 1.00 0.00 C ATOM 492 C GLY A 41 -10.933 1.505 -4.341 1.00 0.00 C ATOM 493 O GLY A 41 -11.294 2.633 -4.675 1.00 0.00 O ATOM 0 H GLY A 41 -11.778 0.888 -1.365 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.941 -0.325 -3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.789 1.109 -3.364 1.00 0.00 H new ATOM 497 N SER A 42 -9.789 0.972 -4.729 1.00 0.00 N ATOM 498 CA SER A 42 -8.872 1.698 -5.574 1.00 0.00 C ATOM 499 C SER A 42 -8.225 0.720 -6.524 1.00 0.00 C ATOM 500 O SER A 42 -8.720 -0.383 -6.688 1.00 0.00 O ATOM 501 CB SER A 42 -7.801 2.392 -4.720 1.00 0.00 C ATOM 502 OG SER A 42 -7.812 3.794 -4.912 1.00 0.00 O ATOM 0 H SER A 42 -9.476 0.036 -4.469 1.00 0.00 H new ATOM 0 HA SER A 42 -9.409 2.463 -6.135 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.971 2.167 -3.667 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.818 1.997 -4.976 1.00 0.00 H new ATOM 0 HG SER A 42 -7.672 3.995 -5.861 1.00 0.00 H new ATOM 508 N THR A 43 -7.117 1.099 -7.129 1.00 0.00 N ATOM 509 CA THR A 43 -6.428 0.196 -8.032 1.00 0.00 C ATOM 510 C THR A 43 -4.912 0.327 -7.854 1.00 0.00 C ATOM 511 O THR A 43 -4.448 0.483 -6.725 1.00 0.00 O ATOM 512 CB THR A 43 -6.888 0.445 -9.476 1.00 0.00 C ATOM 513 OG1 THR A 43 -5.959 1.242 -10.189 1.00 0.00 O ATOM 514 CG2 THR A 43 -8.241 1.126 -9.569 1.00 0.00 C ATOM 0 H THR A 43 -6.678 2.013 -7.015 1.00 0.00 H new ATOM 0 HA THR A 43 -6.683 -0.836 -7.793 1.00 0.00 H new ATOM 0 HB THR A 43 -6.963 -0.550 -9.916 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.281 1.380 -11.104 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.504 1.271 -10.617 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.996 0.503 -9.088 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.197 2.093 -9.069 1.00 0.00 H new ATOM 522 N ASP A 44 -4.146 0.268 -8.949 1.00 0.00 N ATOM 523 CA ASP A 44 -2.681 0.385 -8.892 1.00 0.00 C ATOM 524 C ASP A 44 -2.154 0.284 -7.460 1.00 0.00 C ATOM 525 O ASP A 44 -1.871 1.299 -6.829 1.00 0.00 O ATOM 526 CB ASP A 44 -2.238 1.713 -9.510 1.00 0.00 C ATOM 527 CG ASP A 44 -0.944 1.585 -10.291 1.00 0.00 C ATOM 528 OD1 ASP A 44 -0.612 0.455 -10.709 1.00 0.00 O ATOM 529 OD2 ASP A 44 -0.262 2.613 -10.482 1.00 0.00 O ATOM 0 H ASP A 44 -4.517 0.139 -9.891 1.00 0.00 H new ATOM 0 HA ASP A 44 -2.264 -0.446 -9.460 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.022 2.083 -10.170 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.111 2.453 -8.720 1.00 0.00 H new ATOM 534 N CYS A 45 -2.038 -0.937 -6.940 1.00 0.00 N ATOM 535 CA CYS A 45 -1.556 -1.130 -5.574 1.00 0.00 C ATOM 536 C CYS A 45 -0.542 -2.266 -5.504 1.00 0.00 C ATOM 537 O CYS A 45 -0.896 -3.409 -5.223 1.00 0.00 O ATOM 538 CB CYS A 45 -2.731 -1.418 -4.636 1.00 0.00 C ATOM 539 SG CYS A 45 -3.481 0.073 -3.899 1.00 0.00 S ATOM 0 H CYS A 45 -2.268 -1.798 -7.437 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.061 -0.212 -5.258 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.498 -1.962 -5.188 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -2.390 -2.074 -3.835 1.00 0.00 H new ATOM 544 N ASN A 46 0.721 -1.944 -5.759 1.00 0.00 N ATOM 545 CA ASN A 46 1.785 -2.941 -5.726 1.00 0.00 C ATOM 546 C ASN A 46 2.449 -2.998 -4.350 1.00 0.00 C ATOM 547 O ASN A 46 2.836 -4.070 -3.885 1.00 0.00 O ATOM 548 CB ASN A 46 2.828 -2.637 -6.806 1.00 0.00 C ATOM 549 CG ASN A 46 4.001 -3.599 -6.772 1.00 0.00 C ATOM 550 OD1 ASN A 46 3.924 -4.709 -7.299 1.00 0.00 O ATOM 551 ND2 ASN A 46 5.095 -3.176 -6.150 1.00 0.00 N ATOM 0 H ASN A 46 1.033 -1.001 -5.991 1.00 0.00 H new ATOM 0 HA ASN A 46 1.340 -3.916 -5.925 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.354 -2.682 -7.787 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.194 -1.619 -6.676 1.00 0.00 H new ATOM 0 HD21 ASN A 46 5.916 -3.779 -6.095 1.00 0.00 H new ATOM 0 HD22 ASN A 46 5.115 -2.248 -5.727 1.00 0.00 H new ATOM 558 N THR A 47 2.585 -1.843 -3.705 1.00 0.00 N ATOM 559 CA THR A 47 3.207 -1.775 -2.387 1.00 0.00 C ATOM 560 C THR A 47 2.183 -2.025 -1.276 1.00 0.00 C ATOM 561 O THR A 47 2.553 -2.314 -0.137 1.00 0.00 O ATOM 562 CB THR A 47 3.898 -0.414 -2.204 1.00 0.00 C ATOM 563 OG1 THR A 47 5.305 -0.563 -2.230 1.00 0.00 O ATOM 564 CG2 THR A 47 3.543 0.299 -0.913 1.00 0.00 C ATOM 0 H THR A 47 2.274 -0.944 -4.072 1.00 0.00 H new ATOM 0 HA THR A 47 3.959 -2.561 -2.318 1.00 0.00 H new ATOM 0 HB THR A 47 3.536 0.192 -3.035 1.00 0.00 H new ATOM 0 HG1 THR A 47 5.729 0.313 -2.114 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.074 1.250 -0.865 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.469 0.481 -0.881 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.831 -0.321 -0.064 1.00 0.00 H new ATOM 572 N ALA A 48 0.900 -1.909 -1.608 1.00 0.00 N ATOM 573 CA ALA A 48 -0.163 -2.120 -0.631 1.00 0.00 C ATOM 574 C ALA A 48 -0.292 -3.592 -0.250 1.00 0.00 C ATOM 575 O ALA A 48 -0.053 -4.480 -1.068 1.00 0.00 O ATOM 576 CB ALA A 48 -1.486 -1.599 -1.173 1.00 0.00 C ATOM 0 H ALA A 48 0.572 -1.671 -2.544 1.00 0.00 H new ATOM 0 HA ALA A 48 0.099 -1.565 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.271 -1.762 -0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.399 -0.533 -1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.736 -2.129 -2.092 1.00 0.00 H new ATOM 582 N GLN A 49 -0.681 -3.839 0.999 1.00 0.00 N ATOM 583 CA GLN A 49 -0.852 -5.202 1.496 1.00 0.00 C ATOM 584 C GLN A 49 -2.310 -5.647 1.383 1.00 0.00 C ATOM 585 O GLN A 49 -2.720 -6.622 2.011 1.00 0.00 O ATOM 586 CB GLN A 49 -0.391 -5.294 2.951 1.00 0.00 C ATOM 587 CG GLN A 49 -1.224 -4.457 3.907 1.00 0.00 C ATOM 588 CD GLN A 49 -0.404 -3.879 5.043 1.00 0.00 C ATOM 589 OE1 GLN A 49 0.609 -3.216 4.819 1.00 0.00 O ATOM 590 NE2 GLN A 49 -0.839 -4.127 6.273 1.00 0.00 N ATOM 0 H GLN A 49 -0.884 -3.112 1.686 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.242 -5.865 0.883 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.425 -6.336 3.269 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.649 -4.976 3.015 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.697 -3.644 3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.025 -5.071 4.318 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.684 -4.681 6.413 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.328 -3.763 7.078 1.00 0.00 H new ATOM 599 N THR A 50 -3.084 -4.924 0.576 1.00 0.00 N ATOM 600 CA THR A 50 -4.492 -5.235 0.374 1.00 0.00 C ATOM 601 C THR A 50 -5.115 -4.261 -0.624 1.00 0.00 C ATOM 602 O THR A 50 -4.542 -3.212 -0.914 1.00 0.00 O ATOM 603 CB THR A 50 -5.233 -5.177 1.712 1.00 0.00 C ATOM 604 OG1 THR A 50 -6.444 -5.902 1.651 1.00 0.00 O ATOM 605 CG2 THR A 50 -5.567 -3.773 2.156 1.00 0.00 C ATOM 0 H THR A 50 -2.754 -4.115 0.050 1.00 0.00 H new ATOM 0 HA THR A 50 -4.577 -6.242 -0.033 1.00 0.00 H new ATOM 0 HB THR A 50 -4.544 -5.616 2.434 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.544 -6.297 0.760 1.00 0.00 H new ATOM 0 HG21 THR A 50 -6.091 -3.808 3.111 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.648 -3.198 2.268 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.204 -3.297 1.410 1.00 0.00 H new ATOM 613 N CYS A 51 -6.290 -4.607 -1.143 1.00 0.00 N ATOM 614 CA CYS A 51 -6.977 -3.746 -2.102 1.00 0.00 C ATOM 615 C CYS A 51 -8.328 -4.327 -2.507 1.00 0.00 C ATOM 616 O CYS A 51 -8.404 -5.420 -3.068 1.00 0.00 O ATOM 617 CB CYS A 51 -6.115 -3.529 -3.348 1.00 0.00 C ATOM 618 SG CYS A 51 -5.798 -5.044 -4.314 1.00 0.00 S ATOM 0 H CYS A 51 -6.784 -5.471 -0.918 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.148 -2.787 -1.613 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.604 -2.798 -3.991 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.160 -3.099 -3.045 1.00 0.00 H new ATOM 623 N THR A 52 -9.393 -3.579 -2.233 1.00 0.00 N ATOM 624 CA THR A 52 -10.742 -4.009 -2.583 1.00 0.00 C ATOM 625 C THR A 52 -11.198 -3.308 -3.860 1.00 0.00 C ATOM 626 O THR A 52 -10.830 -2.162 -4.109 1.00 0.00 O ATOM 627 CB THR A 52 -11.710 -3.727 -1.423 1.00 0.00 C ATOM 628 OG1 THR A 52 -12.558 -4.840 -1.200 1.00 0.00 O ATOM 629 CG2 THR A 52 -12.594 -2.514 -1.630 1.00 0.00 C ATOM 0 H THR A 52 -9.347 -2.672 -1.769 1.00 0.00 H new ATOM 0 HA THR A 52 -10.738 -5.084 -2.764 1.00 0.00 H new ATOM 0 HB THR A 52 -11.066 -3.530 -0.566 1.00 0.00 H new ATOM 0 HG1 THR A 52 -13.166 -4.644 -0.457 1.00 0.00 H new ATOM 0 HG21 THR A 52 -13.246 -2.387 -0.766 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.972 -1.627 -1.749 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.201 -2.654 -2.524 1.00 0.00 H new ATOM 637 N ASN A 53 -11.991 -3.998 -4.676 1.00 0.00 N ATOM 638 CA ASN A 53 -12.475 -3.422 -5.928 1.00 0.00 C ATOM 639 C ASN A 53 -11.318 -2.822 -6.729 1.00 0.00 C ATOM 640 O ASN A 53 -11.508 -1.896 -7.517 1.00 0.00 O ATOM 641 CB ASN A 53 -13.522 -2.344 -5.646 1.00 0.00 C ATOM 642 CG ASN A 53 -14.930 -2.905 -5.598 1.00 0.00 C ATOM 643 OD1 ASN A 53 -15.857 -2.335 -6.174 1.00 0.00 O ATOM 644 ND2 ASN A 53 -15.097 -4.029 -4.910 1.00 0.00 N ATOM 0 H ASN A 53 -12.310 -4.950 -4.495 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.932 -4.219 -6.515 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.294 -1.859 -4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.466 -1.576 -6.417 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.022 -4.454 -4.844 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.300 -4.467 -4.448 1.00 0.00 H new ATOM 651 N SER A 54 -10.121 -3.357 -6.511 1.00 0.00 N ATOM 652 CA SER A 54 -8.926 -2.884 -7.196 1.00 0.00 C ATOM 653 C SER A 54 -8.615 -3.761 -8.405 1.00 0.00 C ATOM 654 O SER A 54 -9.279 -4.769 -8.636 1.00 0.00 O ATOM 655 CB SER A 54 -7.738 -2.894 -6.230 1.00 0.00 C ATOM 656 OG SER A 54 -6.505 -2.847 -6.927 1.00 0.00 O ATOM 0 H SER A 54 -9.954 -4.124 -5.860 1.00 0.00 H new ATOM 0 HA SER A 54 -9.105 -1.866 -7.543 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.809 -2.041 -5.555 1.00 0.00 H new ATOM 0 HB3 SER A 54 -7.776 -3.792 -5.614 1.00 0.00 H new ATOM 0 HG SER A 54 -5.853 -3.424 -6.477 1.00 0.00 H new ATOM 662 N LYS A 55 -7.590 -3.388 -9.161 1.00 0.00 N ATOM 663 CA LYS A 55 -7.184 -4.167 -10.323 1.00 0.00 C ATOM 664 C LYS A 55 -5.663 -4.247 -10.413 1.00 0.00 C ATOM 665 O LYS A 55 -5.105 -4.576 -11.460 1.00 0.00 O ATOM 666 CB LYS A 55 -7.753 -3.549 -11.603 1.00 0.00 C ATOM 667 CG LYS A 55 -9.273 -3.533 -11.645 1.00 0.00 C ATOM 668 CD LYS A 55 -9.821 -2.116 -11.564 1.00 0.00 C ATOM 669 CE LYS A 55 -9.330 -1.259 -12.720 1.00 0.00 C ATOM 670 NZ LYS A 55 -9.378 -1.992 -14.016 1.00 0.00 N ATOM 0 H LYS A 55 -7.027 -2.555 -8.991 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.579 -5.177 -10.212 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.384 -2.528 -11.699 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.379 -4.105 -12.463 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.617 -4.005 -12.566 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.667 -4.124 -10.818 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.911 -2.146 -11.570 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.519 -1.662 -10.620 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.941 -0.359 -12.789 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.308 -0.936 -12.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.233 -1.323 -14.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.630 -2.714 -14.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.305 -2.452 -14.121 1.00 0.00 H new ATOM 684 N ASP A 56 -5.000 -3.962 -9.295 1.00 0.00 N ATOM 685 CA ASP A 56 -3.549 -4.017 -9.219 1.00 0.00 C ATOM 686 C ASP A 56 -3.106 -4.378 -7.808 1.00 0.00 C ATOM 687 O ASP A 56 -3.177 -3.555 -6.896 1.00 0.00 O ATOM 688 CB ASP A 56 -2.934 -2.688 -9.641 1.00 0.00 C ATOM 689 CG ASP A 56 -2.814 -2.558 -11.147 1.00 0.00 C ATOM 690 OD1 ASP A 56 -2.466 -3.561 -11.805 1.00 0.00 O ATOM 691 OD2 ASP A 56 -3.068 -1.452 -11.669 1.00 0.00 O ATOM 0 H ASP A 56 -5.453 -3.688 -8.423 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.201 -4.789 -9.905 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.543 -1.870 -9.256 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.946 -2.589 -9.191 1.00 0.00 H new ATOM 696 N CYS A 57 -2.651 -5.603 -7.636 1.00 0.00 N ATOM 697 CA CYS A 57 -2.196 -6.073 -6.336 1.00 0.00 C ATOM 698 C CYS A 57 -1.210 -7.223 -6.497 1.00 0.00 C ATOM 699 O CYS A 57 -1.596 -8.353 -6.791 1.00 0.00 O ATOM 700 CB CYS A 57 -3.386 -6.500 -5.473 1.00 0.00 C ATOM 701 SG CYS A 57 -3.792 -5.316 -4.145 1.00 0.00 S ATOM 0 H CYS A 57 -2.585 -6.296 -8.381 1.00 0.00 H new ATOM 0 HA CYS A 57 -1.685 -5.252 -5.833 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -4.259 -6.629 -6.112 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.171 -7.472 -5.028 1.00 0.00 H new ATOM 706 N PHE A 58 0.069 -6.918 -6.311 1.00 0.00 N ATOM 707 CA PHE A 58 1.121 -7.916 -6.443 1.00 0.00 C ATOM 708 C PHE A 58 1.694 -8.302 -5.080 1.00 0.00 C ATOM 709 O PHE A 58 2.415 -9.292 -4.961 1.00 0.00 O ATOM 710 CB PHE A 58 2.236 -7.383 -7.344 1.00 0.00 C ATOM 711 CG PHE A 58 1.769 -6.918 -8.668 1.00 0.00 C ATOM 712 CD1 PHE A 58 0.940 -5.819 -8.776 1.00 0.00 C ATOM 713 CD2 PHE A 58 2.179 -7.573 -9.810 1.00 0.00 C ATOM 714 CE1 PHE A 58 0.529 -5.381 -10.007 1.00 0.00 C ATOM 715 CE2 PHE A 58 1.769 -7.142 -11.042 1.00 0.00 C ATOM 716 CZ PHE A 58 0.947 -6.045 -11.136 1.00 0.00 C ATOM 0 H PHE A 58 0.402 -5.985 -6.068 1.00 0.00 H new ATOM 0 HA PHE A 58 0.685 -8.808 -6.892 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.736 -6.558 -6.836 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.979 -8.167 -7.487 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.614 -5.302 -7.885 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.828 -8.432 -9.731 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.118 -4.521 -10.090 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.089 -7.660 -11.934 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.626 -5.700 -12.108 1.00 0.00 H new ATOM 726 N GLU A 59 1.375 -7.514 -4.056 1.00 0.00 N ATOM 727 CA GLU A 59 1.866 -7.780 -2.710 1.00 0.00 C ATOM 728 C GLU A 59 0.785 -7.503 -1.667 1.00 0.00 C ATOM 729 O GLU A 59 1.064 -6.949 -0.603 1.00 0.00 O ATOM 730 CB GLU A 59 3.104 -6.926 -2.423 1.00 0.00 C ATOM 731 CG GLU A 59 3.896 -7.386 -1.211 1.00 0.00 C ATOM 732 CD GLU A 59 5.097 -6.504 -0.932 1.00 0.00 C ATOM 733 OE1 GLU A 59 5.624 -5.898 -1.889 1.00 0.00 O ATOM 734 OE2 GLU A 59 5.510 -6.416 0.243 1.00 0.00 O ATOM 0 H GLU A 59 0.780 -6.689 -4.134 1.00 0.00 H new ATOM 0 HA GLU A 59 2.136 -8.834 -2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.754 -6.940 -3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.794 -5.892 -2.272 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.245 -7.394 -0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 59 4.231 -8.411 -1.368 1.00 0.00 H new ATOM 741 N ALA A 60 -0.450 -7.894 -1.976 1.00 0.00 N ATOM 742 CA ALA A 60 -1.563 -7.686 -1.058 1.00 0.00 C ATOM 743 C ALA A 60 -1.913 -8.970 -0.315 1.00 0.00 C ATOM 744 O ALA A 60 -1.410 -10.044 -0.644 1.00 0.00 O ATOM 745 CB ALA A 60 -2.782 -7.165 -1.800 1.00 0.00 C ATOM 0 H ALA A 60 -0.702 -8.354 -2.851 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.251 -6.941 -0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.601 -7.017 -1.096 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.539 -6.216 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -3.082 -7.888 -2.559 1.00 0.00 H new ATOM 751 N ASN A 61 -2.775 -8.849 0.688 1.00 0.00 N ATOM 752 CA ASN A 61 -3.187 -10.004 1.478 1.00 0.00 C ATOM 753 C ASN A 61 -4.695 -10.237 1.396 1.00 0.00 C ATOM 754 O ASN A 61 -5.154 -11.376 1.457 1.00 0.00 O ATOM 755 CB ASN A 61 -2.767 -9.826 2.939 1.00 0.00 C ATOM 756 CG ASN A 61 -1.867 -10.947 3.421 1.00 0.00 C ATOM 757 OD1 ASN A 61 -2.147 -11.593 4.432 1.00 0.00 O ATOM 758 ND2 ASN A 61 -0.779 -11.184 2.699 1.00 0.00 N ATOM 0 H ASN A 61 -3.201 -7.967 0.973 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.689 -10.880 1.062 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.249 -8.874 3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -3.657 -9.782 3.567 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.136 -11.926 2.975 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.586 -10.624 1.868 1.00 0.00 H new ATOM 765 N THR A 62 -5.469 -9.161 1.267 1.00 0.00 N ATOM 766 CA THR A 62 -6.923 -9.287 1.193 1.00 0.00 C ATOM 767 C THR A 62 -7.508 -8.415 0.086 1.00 0.00 C ATOM 768 O THR A 62 -7.860 -7.259 0.312 1.00 0.00 O ATOM 769 CB THR A 62 -7.555 -8.918 2.537 1.00 0.00 C ATOM 770 OG1 THR A 62 -7.007 -9.703 3.581 1.00 0.00 O ATOM 771 CG2 THR A 62 -9.057 -9.103 2.563 1.00 0.00 C ATOM 0 H THR A 62 -5.120 -8.204 1.212 1.00 0.00 H new ATOM 0 HA THR A 62 -7.153 -10.326 0.958 1.00 0.00 H new ATOM 0 HB THR A 62 -7.333 -7.860 2.680 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.422 -9.451 4.432 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.441 -8.824 3.544 1.00 0.00 H new ATOM 0 HG22 THR A 62 -9.515 -8.472 1.801 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.299 -10.147 2.363 1.00 0.00 H new ATOM 779 N CYS A 63 -7.618 -8.980 -1.111 1.00 0.00 N ATOM 780 CA CYS A 63 -8.167 -8.252 -2.248 1.00 0.00 C ATOM 781 C CYS A 63 -9.350 -9.001 -2.853 1.00 0.00 C ATOM 782 O CYS A 63 -9.184 -10.063 -3.452 1.00 0.00 O ATOM 783 CB CYS A 63 -7.085 -8.032 -3.307 1.00 0.00 C ATOM 784 SG CYS A 63 -6.142 -9.534 -3.724 1.00 0.00 S ATOM 0 H CYS A 63 -7.335 -9.938 -1.319 1.00 0.00 H new ATOM 0 HA CYS A 63 -8.520 -7.283 -1.895 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -7.551 -7.644 -4.213 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.394 -7.268 -2.952 1.00 0.00 H new ATOM 789 N THR A 64 -10.546 -8.441 -2.687 1.00 0.00 N ATOM 790 CA THR A 64 -11.758 -9.058 -3.213 1.00 0.00 C ATOM 791 C THR A 64 -12.324 -8.250 -4.378 1.00 0.00 C ATOM 792 O THR A 64 -12.105 -7.043 -4.474 1.00 0.00 O ATOM 793 CB THR A 64 -12.809 -9.181 -2.108 1.00 0.00 C ATOM 794 OG1 THR A 64 -12.719 -8.091 -1.208 1.00 0.00 O ATOM 795 CG2 THR A 64 -12.683 -10.454 -1.300 1.00 0.00 C ATOM 0 H THR A 64 -10.700 -7.562 -2.193 1.00 0.00 H new ATOM 0 HA THR A 64 -11.500 -10.052 -3.578 1.00 0.00 H new ATOM 0 HB THR A 64 -13.770 -9.191 -2.623 1.00 0.00 H new ATOM 0 HG1 THR A 64 -13.400 -8.186 -0.510 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.458 -10.477 -0.534 1.00 0.00 H new ATOM 0 HG22 THR A 64 -12.797 -11.315 -1.958 1.00 0.00 H new ATOM 0 HG23 THR A 64 -11.703 -10.488 -0.825 1.00 0.00 H new ATOM 803 N ASP A 65 -13.053 -8.927 -5.262 1.00 0.00 N ATOM 804 CA ASP A 65 -13.654 -8.275 -6.424 1.00 0.00 C ATOM 805 C ASP A 65 -12.608 -7.503 -7.222 1.00 0.00 C ATOM 806 O ASP A 65 -12.921 -6.511 -7.879 1.00 0.00 O ATOM 807 CB ASP A 65 -14.775 -7.332 -5.982 1.00 0.00 C ATOM 808 CG ASP A 65 -15.988 -7.412 -6.890 1.00 0.00 C ATOM 809 OD1 ASP A 65 -16.748 -8.397 -6.779 1.00 0.00 O ATOM 810 OD2 ASP A 65 -16.177 -6.490 -7.711 1.00 0.00 O ATOM 0 H ASP A 65 -13.242 -9.927 -5.196 1.00 0.00 H new ATOM 0 HA ASP A 65 -14.071 -9.050 -7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -15.071 -7.577 -4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -14.401 -6.308 -5.969 1.00 0.00 H new ATOM 815 N SER A 66 -11.362 -7.961 -7.157 1.00 0.00 N ATOM 816 CA SER A 66 -10.268 -7.310 -7.868 1.00 0.00 C ATOM 817 C SER A 66 -9.608 -8.259 -8.865 1.00 0.00 C ATOM 818 O SER A 66 -9.996 -9.419 -8.987 1.00 0.00 O ATOM 819 CB SER A 66 -9.225 -6.804 -6.871 1.00 0.00 C ATOM 820 OG SER A 66 -8.772 -7.853 -6.033 1.00 0.00 O ATOM 0 H SER A 66 -11.085 -8.782 -6.618 1.00 0.00 H new ATOM 0 HA SER A 66 -10.684 -6.469 -8.423 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.381 -6.374 -7.410 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.654 -6.008 -6.263 1.00 0.00 H new ATOM 0 HG SER A 66 -7.840 -8.064 -6.248 1.00 0.00 H new ATOM 826 N THR A 67 -8.611 -7.746 -9.579 1.00 0.00 N ATOM 827 CA THR A 67 -7.884 -8.525 -10.571 1.00 0.00 C ATOM 828 C THR A 67 -6.380 -8.409 -10.346 1.00 0.00 C ATOM 829 O THR A 67 -5.894 -7.390 -9.853 1.00 0.00 O ATOM 830 CB THR A 67 -8.253 -8.043 -11.976 1.00 0.00 C ATOM 831 OG1 THR A 67 -7.228 -8.337 -12.914 1.00 0.00 O ATOM 832 CG2 THR A 67 -8.522 -6.558 -12.051 1.00 0.00 C ATOM 0 H THR A 67 -8.287 -6.783 -9.486 1.00 0.00 H new ATOM 0 HA THR A 67 -8.162 -9.574 -10.470 1.00 0.00 H new ATOM 0 HB THR A 67 -9.169 -8.581 -12.219 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.495 -8.017 -13.801 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.777 -6.286 -13.075 1.00 0.00 H new ATOM 0 HG22 THR A 67 -9.351 -6.305 -11.391 1.00 0.00 H new ATOM 0 HG23 THR A 67 -7.632 -6.011 -11.741 1.00 0.00 H new ATOM 840 N ASN A 68 -5.644 -9.458 -10.706 1.00 0.00 N ATOM 841 CA ASN A 68 -4.194 -9.468 -10.537 1.00 0.00 C ATOM 842 C ASN A 68 -3.822 -9.491 -9.057 1.00 0.00 C ATOM 843 O ASN A 68 -3.391 -8.481 -8.499 1.00 0.00 O ATOM 844 CB ASN A 68 -3.561 -8.246 -11.214 1.00 0.00 C ATOM 845 CG ASN A 68 -4.154 -7.969 -12.582 1.00 0.00 C ATOM 846 OD1 ASN A 68 -3.948 -8.731 -13.527 1.00 0.00 O ATOM 847 ND2 ASN A 68 -4.897 -6.874 -12.695 1.00 0.00 N ATOM 0 H ASN A 68 -6.027 -10.310 -11.116 1.00 0.00 H new ATOM 0 HA ASN A 68 -3.808 -10.371 -11.010 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.697 -7.371 -10.578 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.487 -8.404 -11.312 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.323 -6.637 -13.591 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -5.042 -6.270 -11.886 1.00 0.00 H new ATOM 854 N CYS A 69 -3.995 -10.648 -8.428 1.00 0.00 N ATOM 855 CA CYS A 69 -3.681 -10.805 -7.012 1.00 0.00 C ATOM 856 C CYS A 69 -2.857 -12.067 -6.773 1.00 0.00 C ATOM 857 O CYS A 69 -3.397 -13.118 -6.428 1.00 0.00 O ATOM 858 CB CYS A 69 -4.967 -10.855 -6.187 1.00 0.00 C ATOM 859 SG CYS A 69 -5.562 -9.222 -5.643 1.00 0.00 S ATOM 0 H CYS A 69 -4.351 -11.492 -8.876 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.090 -9.945 -6.698 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.747 -11.336 -6.777 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -4.800 -11.480 -5.310 1.00 0.00 H new ATOM 864 N TYR A 70 -1.546 -11.954 -6.962 1.00 0.00 N ATOM 865 CA TYR A 70 -0.643 -13.083 -6.772 1.00 0.00 C ATOM 866 C TYR A 70 -0.174 -13.170 -5.325 1.00 0.00 C ATOM 867 O TYR A 70 0.788 -12.507 -4.943 1.00 0.00 O ATOM 868 CB TYR A 70 0.566 -12.968 -7.703 1.00 0.00 C ATOM 869 CG TYR A 70 0.235 -12.409 -9.070 1.00 0.00 C ATOM 870 CD1 TYR A 70 -0.378 -13.199 -10.033 1.00 0.00 C ATOM 871 CD2 TYR A 70 0.539 -11.093 -9.394 1.00 0.00 C ATOM 872 CE1 TYR A 70 -0.679 -12.693 -11.284 1.00 0.00 C ATOM 873 CE2 TYR A 70 0.241 -10.579 -10.642 1.00 0.00 C ATOM 874 CZ TYR A 70 -0.368 -11.383 -11.582 1.00 0.00 C ATOM 875 OH TYR A 70 -0.666 -10.877 -12.827 1.00 0.00 O ATOM 0 H TYR A 70 -1.085 -11.090 -7.247 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.192 -13.993 -7.014 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.315 -12.332 -7.233 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.015 -13.954 -7.823 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.624 -14.225 -9.801 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.016 -10.461 -8.659 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.155 -13.320 -12.023 1.00 0.00 H new ATOM 0 HE2 TYR A 70 0.484 -9.554 -10.879 1.00 0.00 H new ATOM 0 HH TYR A 70 -0.384 -9.940 -12.875 1.00 0.00 H new ATOM 885 N LYS A 71 -0.872 -14.000 -4.544 1.00 0.00 N ATOM 886 CA LYS A 71 -0.580 -14.232 -3.118 1.00 0.00 C ATOM 887 C LYS A 71 -1.661 -13.615 -2.233 1.00 0.00 C ATOM 888 O LYS A 71 -1.378 -13.108 -1.148 1.00 0.00 O ATOM 889 CB LYS A 71 0.810 -13.711 -2.706 1.00 0.00 C ATOM 890 CG LYS A 71 0.855 -12.224 -2.381 1.00 0.00 C ATOM 891 CD LYS A 71 2.194 -11.614 -2.760 1.00 0.00 C ATOM 892 CE LYS A 71 3.068 -11.382 -1.538 1.00 0.00 C ATOM 893 NZ LYS A 71 4.508 -11.264 -1.898 1.00 0.00 N ATOM 0 H LYS A 71 -1.668 -14.539 -4.885 1.00 0.00 H new ATOM 0 HA LYS A 71 -0.576 -15.312 -2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.151 -14.271 -1.835 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.515 -13.916 -3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.055 -11.709 -2.913 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.675 -12.077 -1.316 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.710 -12.273 -3.458 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.031 -10.668 -3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.746 -10.474 -1.029 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.936 -12.205 -0.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.069 -11.106 -1.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.823 -12.140 -2.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 4.639 -10.463 -2.548 1.00 0.00 H new ATOM 907 N ALA A 72 -2.903 -13.677 -2.702 1.00 0.00 N ATOM 908 CA ALA A 72 -4.031 -13.137 -1.954 1.00 0.00 C ATOM 909 C ALA A 72 -4.769 -14.248 -1.213 1.00 0.00 C ATOM 910 O ALA A 72 -5.171 -15.244 -1.813 1.00 0.00 O ATOM 911 CB ALA A 72 -4.979 -12.401 -2.889 1.00 0.00 C ATOM 0 H ALA A 72 -3.153 -14.096 -3.597 1.00 0.00 H new ATOM 0 HA ALA A 72 -3.649 -12.431 -1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.817 -12.003 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.448 -11.582 -3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -5.351 -13.091 -3.646 1.00 0.00 H new ATOM 917 N THR A 73 -4.938 -14.073 0.095 1.00 0.00 N ATOM 918 CA THR A 73 -5.623 -15.069 0.913 1.00 0.00 C ATOM 919 C THR A 73 -7.134 -15.011 0.701 1.00 0.00 C ATOM 920 O THR A 73 -7.835 -16.003 0.904 1.00 0.00 O ATOM 921 CB THR A 73 -5.293 -14.858 2.393 1.00 0.00 C ATOM 922 OG1 THR A 73 -5.824 -15.910 3.180 1.00 0.00 O ATOM 923 CG2 THR A 73 -5.827 -13.557 2.949 1.00 0.00 C ATOM 0 H THR A 73 -4.612 -13.255 0.609 1.00 0.00 H new ATOM 0 HA THR A 73 -5.273 -16.055 0.606 1.00 0.00 H new ATOM 0 HB THR A 73 -4.204 -14.835 2.443 1.00 0.00 H new ATOM 0 HG1 THR A 73 -5.601 -15.758 4.122 1.00 0.00 H new ATOM 0 HG21 THR A 73 -5.557 -13.473 4.002 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.397 -12.722 2.396 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.912 -13.537 2.850 1.00 0.00 H new ATOM 931 N ALA A 74 -7.632 -13.848 0.295 1.00 0.00 N ATOM 932 CA ALA A 74 -9.060 -13.670 0.059 1.00 0.00 C ATOM 933 C ALA A 74 -9.345 -13.388 -1.413 1.00 0.00 C ATOM 934 O ALA A 74 -9.119 -12.279 -1.898 1.00 0.00 O ATOM 935 CB ALA A 74 -9.600 -12.542 0.926 1.00 0.00 C ATOM 0 H ALA A 74 -7.069 -13.015 0.123 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.565 -14.598 0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.667 -12.419 0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.440 -12.782 1.977 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.080 -11.615 0.682 1.00 0.00 H new ATOM 941 N CYS A 75 -9.847 -14.398 -2.120 1.00 0.00 N ATOM 942 CA CYS A 75 -10.165 -14.255 -3.536 1.00 0.00 C ATOM 943 C CYS A 75 -11.585 -14.740 -3.825 1.00 0.00 C ATOM 944 O CYS A 75 -11.880 -15.929 -3.716 1.00 0.00 O ATOM 945 CB CYS A 75 -9.144 -15.024 -4.391 1.00 0.00 C ATOM 946 SG CYS A 75 -9.709 -15.425 -6.082 1.00 0.00 S ATOM 0 H CYS A 75 -10.042 -15.322 -1.735 1.00 0.00 H new ATOM 0 HA CYS A 75 -10.110 -13.198 -3.797 1.00 0.00 H new ATOM 0 HB2 CYS A 75 -8.230 -14.434 -4.459 1.00 0.00 H new ATOM 0 HB3 CYS A 75 -8.888 -15.952 -3.879 1.00 0.00 H new ATOM 951 N THR A 76 -12.455 -13.806 -4.198 1.00 0.00 N ATOM 952 CA THR A 76 -13.843 -14.129 -4.512 1.00 0.00 C ATOM 953 C THR A 76 -14.226 -13.568 -5.877 1.00 0.00 C ATOM 954 O THR A 76 -14.512 -12.379 -6.013 1.00 0.00 O ATOM 955 CB THR A 76 -14.777 -13.570 -3.438 1.00 0.00 C ATOM 956 OG1 THR A 76 -14.125 -13.519 -2.182 1.00 0.00 O ATOM 957 CG2 THR A 76 -16.043 -14.380 -3.265 1.00 0.00 C ATOM 0 H THR A 76 -12.222 -12.817 -4.290 1.00 0.00 H new ATOM 0 HA THR A 76 -13.944 -15.214 -4.537 1.00 0.00 H new ATOM 0 HB THR A 76 -15.047 -12.572 -3.783 1.00 0.00 H new ATOM 0 HG1 THR A 76 -14.739 -13.157 -1.509 1.00 0.00 H new ATOM 0 HG21 THR A 76 -16.660 -13.929 -2.488 1.00 0.00 H new ATOM 0 HG22 THR A 76 -16.596 -14.396 -4.204 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.786 -15.400 -2.978 1.00 0.00 H new ATOM 965 N ASN A 77 -14.221 -14.431 -6.889 1.00 0.00 N ATOM 966 CA ASN A 77 -14.559 -14.017 -8.245 1.00 0.00 C ATOM 967 C ASN A 77 -13.598 -12.937 -8.736 1.00 0.00 C ATOM 968 O ASN A 77 -13.941 -12.131 -9.601 1.00 0.00 O ATOM 969 CB ASN A 77 -16.000 -13.502 -8.302 1.00 0.00 C ATOM 970 CG ASN A 77 -16.756 -14.040 -9.501 1.00 0.00 C ATOM 971 OD1 ASN A 77 -17.926 -14.409 -9.396 1.00 0.00 O ATOM 972 ND2 ASN A 77 -16.091 -14.087 -10.650 1.00 0.00 N ATOM 0 H ASN A 77 -13.987 -15.419 -6.795 1.00 0.00 H new ATOM 0 HA ASN A 77 -14.468 -14.885 -8.898 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -16.522 -13.787 -7.388 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -15.993 -12.413 -8.338 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -16.549 -14.439 -11.490 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -15.122 -13.771 -10.692 1.00 0.00 H new ATOM 979 N SER A 78 -12.393 -12.929 -8.176 1.00 0.00 N ATOM 980 CA SER A 78 -11.377 -11.954 -8.552 1.00 0.00 C ATOM 981 C SER A 78 -10.414 -12.553 -9.572 1.00 0.00 C ATOM 982 O SER A 78 -10.350 -13.771 -9.734 1.00 0.00 O ATOM 983 CB SER A 78 -10.617 -11.485 -7.307 1.00 0.00 C ATOM 984 OG SER A 78 -9.256 -11.210 -7.599 1.00 0.00 O ATOM 0 H SER A 78 -12.096 -13.589 -7.458 1.00 0.00 H new ATOM 0 HA SER A 78 -11.867 -11.094 -9.009 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.092 -10.590 -6.906 1.00 0.00 H new ATOM 0 HB3 SER A 78 -10.676 -12.251 -6.534 1.00 0.00 H new ATOM 0 HG SER A 78 -8.701 -11.965 -7.313 1.00 0.00 H new ATOM 990 N SER A 79 -9.669 -11.695 -10.264 1.00 0.00 N ATOM 991 CA SER A 79 -8.721 -12.160 -11.267 1.00 0.00 C ATOM 992 C SER A 79 -7.310 -12.240 -10.699 1.00 0.00 C ATOM 993 O SER A 79 -6.970 -11.538 -9.746 1.00 0.00 O ATOM 994 CB SER A 79 -8.742 -11.236 -12.484 1.00 0.00 C ATOM 995 OG SER A 79 -10.002 -10.601 -12.622 1.00 0.00 O ATOM 0 H SER A 79 -9.704 -10.682 -10.149 1.00 0.00 H new ATOM 0 HA SER A 79 -9.022 -13.162 -11.572 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.961 -10.482 -12.386 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.520 -11.810 -13.384 1.00 0.00 H new ATOM 0 HG SER A 79 -10.015 -10.077 -13.450 1.00 0.00 H new ATOM 1001 N GLY A 80 -6.490 -13.101 -11.295 1.00 0.00 N ATOM 1002 CA GLY A 80 -5.120 -13.259 -10.843 1.00 0.00 C ATOM 1003 C GLY A 80 -5.023 -13.741 -9.408 1.00 0.00 C ATOM 1004 O GLY A 80 -3.987 -13.575 -8.765 1.00 0.00 O ATOM 0 H GLY A 80 -6.751 -13.693 -12.084 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.607 -13.967 -11.494 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.600 -12.306 -10.937 1.00 0.00 H new ATOM 1008 N CYS A 81 -6.100 -14.334 -8.901 1.00 0.00 N ATOM 1009 CA CYS A 81 -6.122 -14.832 -7.528 1.00 0.00 C ATOM 1010 C CYS A 81 -6.521 -16.308 -7.479 1.00 0.00 C ATOM 1011 O CYS A 81 -6.982 -16.866 -8.475 1.00 0.00 O ATOM 1012 CB CYS A 81 -7.086 -13.997 -6.686 1.00 0.00 C ATOM 1013 SG CYS A 81 -8.810 -14.044 -7.267 1.00 0.00 S ATOM 0 H CYS A 81 -6.967 -14.481 -9.418 1.00 0.00 H new ATOM 0 HA CYS A 81 -5.116 -14.743 -7.118 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -7.051 -14.350 -5.655 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -6.744 -12.962 -6.680 1.00 0.00 H new ATOM 1018 N PRO A 82 -6.340 -16.965 -6.315 1.00 0.00 N ATOM 1019 CA PRO A 82 -6.674 -18.384 -6.146 1.00 0.00 C ATOM 1020 C PRO A 82 -8.069 -18.731 -6.659 1.00 0.00 C ATOM 1021 O PRO A 82 -8.211 -19.370 -7.703 1.00 0.00 O ATOM 1022 CB PRO A 82 -6.576 -18.592 -4.633 1.00 0.00 C ATOM 1023 CG PRO A 82 -5.581 -17.579 -4.187 1.00 0.00 C ATOM 1024 CD PRO A 82 -5.786 -16.382 -5.076 1.00 0.00 C ATOM 0 HA PRO A 82 -6.009 -19.029 -6.720 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.540 -18.443 -4.148 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.250 -19.604 -4.391 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.732 -17.318 -3.139 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.565 -17.963 -4.277 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -6.472 -15.663 -4.629 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.850 -15.856 -5.263 1.00 0.00 H new