USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 649 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 85 TYR OH : rot 180:sc=8.19e-05 USER MOD Set 1.2: A 86 LYS NZ :NH3+ 127:sc=-0.00286 (180deg=-0.0972) USER MOD Set 2.1: A 69 CYS SG : rot 170:sc= -0.55 USER MOD Set 2.2: A 72 CYS SG : rot -126:sc= -0.614 USER MOD Set 2.3: A 91 HIS : no HD1:sc= 0.131 K(o=-1.1,f=-2.9) USER MOD Set 2.4: A 94 CYS SG : rot -170:sc= -0.0942 USER MOD Set 3.1: A 36 CYS SG : rot 150:sc= -0.276 USER MOD Set 3.2: A 39 CYS SG : rot -53:sc= 0.78 USER MOD Set 3.3: A 57 CYS SG : rot -130:sc= 0.0375 USER MOD Set 3.4: A 60 CYS SG : rot 85:sc= -1.05 USER MOD Set 4.1: A 8 CYS SG : rot 146:sc= 0.736 USER MOD Set 4.2: A 11 CYS SG : rot -50:sc= -0.433 USER MOD Set 4.3: A 30 HIS : no HE2:sc= -1.57! C(o=-2.8!,f=-9.2!) USER MOD Set 4.4: A 33 CYS SG : rot -160:sc= -1.49 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 156:sc= -0.168 (180deg=-1.09) USER MOD Single : A 23 HIS : no HD1:sc= -1.74! K(o=-1.7!,f=-0.63) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -101:sc= 0 (180deg=-0.128) USER MOD Single : A 26 ASN : amide:sc= -0.976 K(o=-0.98,f=-6!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HD1:sc= -2.92 K(o=-2.9,f=-0.95) USER MOD Single : A 45 ASN : amide:sc= -0.563 K(o=-0.56,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.0858 K(o=-0.086,f=-1.2!) USER MOD Single : A 54 LYS NZ :NH3+ -130:sc= -1.11 (180deg=-2.36) USER MOD Single : A 58 ASN : amide:sc= -0.619 K(o=-0.62,f=-3!) USER MOD Single : A 59 LYS NZ :NH3+ -120:sc= -0.943 (180deg=-2.91!) USER MOD Single : A 61 THR OG1 : rot -21:sc= -0.278 USER MOD Single : A 68 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.43) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0921) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -3.69! C(o=-3.7!,f=-7.5!) USER MOD Single : A 82 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.4) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.588 17.923 -12.480 1.00 0.00 N ATOM 60 CA GLY A 7 -5.190 17.264 -11.336 1.00 0.00 C ATOM 61 C GLY A 7 -4.906 15.776 -11.308 1.00 0.00 C ATOM 62 O GLY A 7 -4.331 15.228 -12.250 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.815 17.720 -10.419 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.268 17.425 -11.354 1.00 0.00 H new ATOM 66 N CYS A 8 -5.306 15.119 -10.225 1.00 0.00 N ATOM 67 CA CYS A 8 -5.089 13.685 -10.076 1.00 0.00 C ATOM 68 C CYS A 8 -6.259 12.895 -10.655 1.00 0.00 C ATOM 69 O CYS A 8 -7.392 13.376 -10.687 1.00 0.00 O ATOM 70 CB CYS A 8 -4.899 13.327 -8.601 1.00 0.00 C ATOM 71 SG CYS A 8 -4.245 11.650 -8.321 1.00 0.00 S ATOM 0 H CYS A 8 -5.783 15.557 -9.437 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.186 13.421 -10.627 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.221 14.050 -8.147 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.856 13.422 -8.089 1.00 0.00 H new ATOM 0 HG CYS A 8 -3.477 11.653 -7.272 1.00 0.00 H new ATOM 76 N VAL A 9 -5.977 11.679 -11.113 1.00 0.00 N ATOM 77 CA VAL A 9 -7.005 10.821 -11.690 1.00 0.00 C ATOM 78 C VAL A 9 -7.539 9.833 -10.658 1.00 0.00 C ATOM 79 O VAL A 9 -8.572 9.199 -10.869 1.00 0.00 O ATOM 80 CB VAL A 9 -6.468 10.039 -12.903 1.00 0.00 C ATOM 81 CG1 VAL A 9 -5.045 9.566 -12.646 1.00 0.00 C ATOM 82 CG2 VAL A 9 -7.379 8.865 -13.226 1.00 0.00 C ATOM 0 H VAL A 9 -5.045 11.266 -11.095 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.814 11.473 -12.017 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.454 10.705 -13.765 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.682 9.015 -13.514 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.402 10.428 -12.468 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.030 8.916 -11.772 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.984 8.324 -14.086 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.428 8.196 -12.367 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.379 9.233 -13.457 1.00 0.00 H new ATOM 92 N GLU A 10 -6.827 9.709 -9.542 1.00 0.00 N ATOM 93 CA GLU A 10 -7.230 8.797 -8.478 1.00 0.00 C ATOM 94 C GLU A 10 -8.065 9.524 -7.427 1.00 0.00 C ATOM 95 O GLU A 10 -9.200 9.138 -7.144 1.00 0.00 O ATOM 96 CB GLU A 10 -6.000 8.168 -7.822 1.00 0.00 C ATOM 97 CG GLU A 10 -5.620 6.819 -8.408 1.00 0.00 C ATOM 98 CD GLU A 10 -6.738 5.799 -8.296 1.00 0.00 C ATOM 99 OE1 GLU A 10 -6.844 5.151 -7.233 1.00 0.00 O ATOM 100 OE2 GLU A 10 -7.505 5.650 -9.269 1.00 0.00 O ATOM 0 H GLU A 10 -5.970 10.228 -9.352 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.839 8.009 -8.921 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.156 8.850 -7.924 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.188 8.051 -6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.352 6.945 -9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.735 6.441 -7.896 1.00 0.00 H new ATOM 107 N CYS A 11 -7.495 10.577 -6.851 1.00 0.00 N ATOM 108 CA CYS A 11 -8.184 11.357 -5.831 1.00 0.00 C ATOM 109 C CYS A 11 -8.838 12.594 -6.441 1.00 0.00 C ATOM 110 O CYS A 11 -9.231 13.517 -5.727 1.00 0.00 O ATOM 111 CB CYS A 11 -7.206 11.774 -4.731 1.00 0.00 C ATOM 112 SG CYS A 11 -5.792 12.757 -5.326 1.00 0.00 S ATOM 0 H CYS A 11 -6.557 10.910 -7.074 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.964 10.732 -5.397 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.745 12.351 -3.980 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.830 10.879 -4.236 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.239 12.154 -6.336 1.00 0.00 H new ATOM 117 N ARG A 12 -8.950 12.605 -7.765 1.00 0.00 N ATOM 118 CA ARG A 12 -9.555 13.727 -8.472 1.00 0.00 C ATOM 119 C ARG A 12 -9.303 15.036 -7.729 1.00 0.00 C ATOM 120 O ARG A 12 -10.199 15.871 -7.599 1.00 0.00 O ATOM 121 CB ARG A 12 -11.059 13.503 -8.637 1.00 0.00 C ATOM 122 CG ARG A 12 -11.782 13.234 -7.327 1.00 0.00 C ATOM 123 CD ARG A 12 -11.836 11.746 -7.016 1.00 0.00 C ATOM 124 NE ARG A 12 -12.907 11.421 -6.078 1.00 0.00 N ATOM 125 CZ ARG A 12 -12.912 10.333 -5.317 1.00 0.00 C ATOM 126 NH1 ARG A 12 -11.908 9.470 -5.382 1.00 0.00 N ATOM 127 NH2 ARG A 12 -13.923 10.107 -4.487 1.00 0.00 N ATOM 0 H ARG A 12 -8.629 11.849 -8.370 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.095 13.794 -9.458 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.499 14.380 -9.111 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.221 12.662 -9.311 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.276 13.758 -6.516 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -12.795 13.633 -7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.982 11.188 -7.941 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.880 11.428 -6.599 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.694 12.065 -6.003 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.129 9.641 -6.018 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.914 8.635 -4.796 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.697 10.769 -4.434 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.926 9.271 -3.903 1.00 0.00 H new ATOM 141 N LYS A 13 -8.079 15.209 -7.243 1.00 0.00 N ATOM 142 CA LYS A 13 -7.708 16.415 -6.513 1.00 0.00 C ATOM 143 C LYS A 13 -6.620 17.187 -7.255 1.00 0.00 C ATOM 144 O LYS A 13 -5.885 16.637 -8.075 1.00 0.00 O ATOM 145 CB LYS A 13 -7.225 16.057 -5.106 1.00 0.00 C ATOM 146 CG LYS A 13 -8.350 15.721 -4.144 1.00 0.00 C ATOM 147 CD LYS A 13 -8.714 16.912 -3.273 1.00 0.00 C ATOM 148 CE LYS A 13 -10.095 16.751 -2.656 1.00 0.00 C ATOM 149 NZ LYS A 13 -10.495 17.951 -1.871 1.00 0.00 N ATOM 0 H LYS A 13 -7.326 14.528 -7.342 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.591 17.049 -6.436 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.546 15.206 -5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.652 16.893 -4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.227 15.399 -4.706 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.052 14.885 -3.512 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.972 17.026 -2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.685 17.823 -3.871 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.826 16.572 -3.444 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.104 15.874 -2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.442 17.802 -1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.811 18.107 -1.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.512 18.784 -2.494 1.00 0.00 H new ATOM 163 N PRO A 14 -6.513 18.491 -6.960 1.00 0.00 N ATOM 164 CA PRO A 14 -5.516 19.364 -7.586 1.00 0.00 C ATOM 165 C PRO A 14 -4.097 19.044 -7.131 1.00 0.00 C ATOM 166 O PRO A 14 -3.846 18.844 -5.942 1.00 0.00 O ATOM 167 CB PRO A 14 -5.926 20.763 -7.117 1.00 0.00 C ATOM 168 CG PRO A 14 -6.656 20.535 -5.839 1.00 0.00 C ATOM 169 CD PRO A 14 -7.355 19.213 -5.992 1.00 0.00 C ATOM 0 HA PRO A 14 -5.498 19.251 -8.670 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.055 21.401 -6.967 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.561 21.257 -7.853 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.968 20.517 -4.994 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.372 21.335 -5.650 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.422 18.682 -5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.374 19.337 -6.360 1.00 0.00 H new ATOM 177 N ILE A 15 -3.171 18.998 -8.083 1.00 0.00 N ATOM 178 CA ILE A 15 -1.777 18.703 -7.779 1.00 0.00 C ATOM 179 C ILE A 15 -0.925 19.967 -7.826 1.00 0.00 C ATOM 180 O ILE A 15 -1.251 20.922 -8.529 1.00 0.00 O ATOM 181 CB ILE A 15 -1.193 17.668 -8.758 1.00 0.00 C ATOM 182 CG1 ILE A 15 -2.053 16.402 -8.769 1.00 0.00 C ATOM 183 CG2 ILE A 15 0.244 17.336 -8.384 1.00 0.00 C ATOM 184 CD1 ILE A 15 -1.772 15.491 -9.943 1.00 0.00 C ATOM 0 H ILE A 15 -3.362 19.161 -9.072 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.755 18.289 -6.771 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.197 18.096 -9.761 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.886 15.851 -7.844 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.105 16.687 -8.784 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.642 16.603 -9.086 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.849 18.242 -8.423 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.272 16.925 -7.375 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.417 14.614 -9.886 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.967 16.025 -10.873 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.729 15.176 -9.917 1.00 0.00 H new ATOM 196 N GLY A 16 0.171 19.964 -7.072 1.00 0.00 N ATOM 197 CA GLY A 16 1.054 21.116 -7.044 1.00 0.00 C ATOM 198 C GLY A 16 2.371 20.854 -7.748 1.00 0.00 C ATOM 199 O GLY A 16 2.882 19.735 -7.726 1.00 0.00 O ATOM 0 H GLY A 16 0.463 19.185 -6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.556 21.963 -7.515 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.248 21.396 -6.009 1.00 0.00 H new ATOM 203 N ALA A 17 2.920 21.888 -8.376 1.00 0.00 N ATOM 204 CA ALA A 17 4.185 21.765 -9.090 1.00 0.00 C ATOM 205 C ALA A 17 5.268 21.180 -8.190 1.00 0.00 C ATOM 206 O ALA A 17 5.964 20.239 -8.571 1.00 0.00 O ATOM 207 CB ALA A 17 4.619 23.119 -9.631 1.00 0.00 C ATOM 0 H ALA A 17 2.508 22.821 -8.405 1.00 0.00 H new ATOM 0 HA ALA A 17 4.037 21.082 -9.927 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.565 23.012 -10.162 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.860 23.498 -10.315 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.744 23.818 -8.804 1.00 0.00 H new ATOM 213 N ASP A 18 5.405 21.744 -6.995 1.00 0.00 N ATOM 214 CA ASP A 18 6.404 21.278 -6.040 1.00 0.00 C ATOM 215 C ASP A 18 6.232 19.789 -5.756 1.00 0.00 C ATOM 216 O ASP A 18 7.206 19.074 -5.521 1.00 0.00 O ATOM 217 CB ASP A 18 6.305 22.073 -4.737 1.00 0.00 C ATOM 218 CG ASP A 18 4.874 22.232 -4.263 1.00 0.00 C ATOM 219 OD1 ASP A 18 4.148 23.069 -4.839 1.00 0.00 O ATOM 220 OD2 ASP A 18 4.480 21.519 -3.317 1.00 0.00 O ATOM 0 H ASP A 18 4.837 22.524 -6.665 1.00 0.00 H new ATOM 0 HA ASP A 18 7.390 21.434 -6.478 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.887 21.572 -3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.748 23.058 -4.881 1.00 0.00 H new ATOM 225 N SER A 19 4.985 19.328 -5.779 1.00 0.00 N ATOM 226 CA SER A 19 4.684 17.925 -5.519 1.00 0.00 C ATOM 227 C SER A 19 5.097 17.053 -6.701 1.00 0.00 C ATOM 228 O SER A 19 4.970 17.454 -7.858 1.00 0.00 O ATOM 229 CB SER A 19 3.192 17.745 -5.236 1.00 0.00 C ATOM 230 OG SER A 19 2.963 16.631 -4.391 1.00 0.00 O ATOM 0 H SER A 19 4.167 19.906 -5.975 1.00 0.00 H new ATOM 0 HA SER A 19 5.253 17.614 -4.643 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.796 18.647 -4.769 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.655 17.610 -6.175 1.00 0.00 H new ATOM 0 HG SER A 19 2.002 16.539 -4.224 1.00 0.00 H new ATOM 236 N LYS A 20 5.593 15.857 -6.402 1.00 0.00 N ATOM 237 CA LYS A 20 6.024 14.926 -7.437 1.00 0.00 C ATOM 238 C LYS A 20 4.824 14.311 -8.150 1.00 0.00 C ATOM 239 O LYS A 20 4.152 13.433 -7.609 1.00 0.00 O ATOM 240 CB LYS A 20 6.891 13.820 -6.829 1.00 0.00 C ATOM 241 CG LYS A 20 8.326 14.244 -6.573 1.00 0.00 C ATOM 242 CD LYS A 20 9.256 13.045 -6.494 1.00 0.00 C ATOM 243 CE LYS A 20 9.387 12.534 -5.067 1.00 0.00 C ATOM 244 NZ LYS A 20 8.141 11.864 -4.602 1.00 0.00 N ATOM 0 H LYS A 20 5.706 15.510 -5.450 1.00 0.00 H new ATOM 0 HA LYS A 20 6.613 15.481 -8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.444 13.495 -5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.889 12.959 -7.498 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.657 14.910 -7.369 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.379 14.809 -5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.878 12.248 -7.134 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.240 13.320 -6.875 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.220 11.834 -5.007 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.621 13.366 -4.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.370 11.197 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 7.474 12.579 -4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.708 11.348 -5.394 1.00 0.00 H new ATOM 258 N GLU A 21 4.562 14.777 -9.367 1.00 0.00 N ATOM 259 CA GLU A 21 3.443 14.271 -10.154 1.00 0.00 C ATOM 260 C GLU A 21 3.929 13.310 -11.235 1.00 0.00 C ATOM 261 O GLU A 21 5.029 13.460 -11.766 1.00 0.00 O ATOM 262 CB GLU A 21 2.675 15.430 -10.793 1.00 0.00 C ATOM 263 CG GLU A 21 3.490 16.213 -11.809 1.00 0.00 C ATOM 264 CD GLU A 21 4.508 17.129 -11.159 1.00 0.00 C ATOM 265 OE1 GLU A 21 4.167 17.769 -10.142 1.00 0.00 O ATOM 266 OE2 GLU A 21 5.647 17.207 -11.667 1.00 0.00 O ATOM 0 H GLU A 21 5.109 15.503 -9.829 1.00 0.00 H new ATOM 0 HA GLU A 21 2.776 13.729 -9.484 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.782 15.038 -11.280 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.339 16.108 -10.009 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.004 15.516 -12.471 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.818 16.805 -12.430 1.00 0.00 H new ATOM 273 N VAL A 22 3.099 12.323 -11.557 1.00 0.00 N ATOM 274 CA VAL A 22 3.442 11.337 -12.575 1.00 0.00 C ATOM 275 C VAL A 22 2.468 11.395 -13.746 1.00 0.00 C ATOM 276 O VAL A 22 1.336 10.918 -13.650 1.00 0.00 O ATOM 277 CB VAL A 22 3.447 9.910 -11.996 1.00 0.00 C ATOM 278 CG1 VAL A 22 3.882 8.906 -13.052 1.00 0.00 C ATOM 279 CG2 VAL A 22 4.351 9.835 -10.774 1.00 0.00 C ATOM 0 H VAL A 22 2.184 12.185 -11.128 1.00 0.00 H new ATOM 0 HA VAL A 22 4.444 11.581 -12.927 1.00 0.00 H new ATOM 0 HB VAL A 22 2.432 9.659 -11.687 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.879 7.904 -12.624 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.192 8.943 -13.895 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.887 9.151 -13.395 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.343 8.820 -10.377 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.368 10.106 -11.057 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.990 10.525 -10.012 1.00 0.00 H new ATOM 289 N HIS A 23 2.914 11.981 -14.852 1.00 0.00 N ATOM 290 CA HIS A 23 2.081 12.100 -16.044 1.00 0.00 C ATOM 291 C HIS A 23 2.237 10.876 -16.940 1.00 0.00 C ATOM 292 O HIS A 23 3.311 10.629 -17.490 1.00 0.00 O ATOM 293 CB HIS A 23 2.445 13.366 -16.821 1.00 0.00 C ATOM 294 CG HIS A 23 1.902 13.387 -18.217 1.00 0.00 C ATOM 295 ND1 HIS A 23 2.421 14.187 -19.214 1.00 0.00 N ATOM 296 CD2 HIS A 23 0.882 12.700 -18.781 1.00 0.00 C ATOM 297 CE1 HIS A 23 1.742 13.992 -20.330 1.00 0.00 C ATOM 298 NE2 HIS A 23 0.802 13.094 -20.094 1.00 0.00 N ATOM 0 H HIS A 23 3.847 12.381 -14.948 1.00 0.00 H new ATOM 0 HA HIS A 23 1.040 12.164 -15.726 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.070 14.235 -16.281 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.530 13.459 -16.860 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.248 11.976 -18.290 1.00 0.00 H new ATOM 0 HE1 HIS A 23 1.924 14.483 -21.275 1.00 0.00 H new ATOM 0 HE2 HIS A 23 0.127 12.749 -20.776 1.00 0.00 H new ATOM 307 N TYR A 24 1.160 10.112 -17.083 1.00 0.00 N ATOM 308 CA TYR A 24 1.178 8.911 -17.910 1.00 0.00 C ATOM 309 C TYR A 24 -0.214 8.602 -18.453 1.00 0.00 C ATOM 310 O TYR A 24 -1.215 8.760 -17.754 1.00 0.00 O ATOM 311 CB TYR A 24 1.700 7.720 -17.105 1.00 0.00 C ATOM 312 CG TYR A 24 2.338 6.646 -17.957 1.00 0.00 C ATOM 313 CD1 TYR A 24 3.539 6.878 -18.617 1.00 0.00 C ATOM 314 CD2 TYR A 24 1.741 5.400 -18.103 1.00 0.00 C ATOM 315 CE1 TYR A 24 4.126 5.901 -19.397 1.00 0.00 C ATOM 316 CE2 TYR A 24 2.322 4.417 -18.879 1.00 0.00 C ATOM 317 CZ TYR A 24 3.514 4.672 -19.524 1.00 0.00 C ATOM 318 OH TYR A 24 4.094 3.694 -20.300 1.00 0.00 O ATOM 0 H TYR A 24 0.263 10.303 -16.637 1.00 0.00 H new ATOM 0 HA TYR A 24 1.845 9.091 -18.753 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.429 8.076 -16.377 1.00 0.00 H new ATOM 0 HB3 TYR A 24 0.875 7.283 -16.542 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.022 7.839 -18.518 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.807 5.197 -17.601 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.059 6.098 -19.904 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.845 3.453 -18.980 1.00 0.00 H new ATOM 0 HH TYR A 24 3.536 2.889 -20.282 1.00 0.00 H new ATOM 328 N LYS A 25 -0.268 8.161 -19.705 1.00 0.00 N ATOM 329 CA LYS A 25 -1.536 7.827 -20.344 1.00 0.00 C ATOM 330 C LYS A 25 -2.517 8.990 -20.247 1.00 0.00 C ATOM 331 O LYS A 25 -3.701 8.794 -19.973 1.00 0.00 O ATOM 332 CB LYS A 25 -2.142 6.578 -19.699 1.00 0.00 C ATOM 333 CG LYS A 25 -1.279 5.337 -19.846 1.00 0.00 C ATOM 334 CD LYS A 25 -2.124 4.078 -19.945 1.00 0.00 C ATOM 335 CE LYS A 25 -2.640 3.645 -18.582 1.00 0.00 C ATOM 336 NZ LYS A 25 -3.959 4.262 -18.267 1.00 0.00 N ATOM 0 H LYS A 25 0.551 8.026 -20.298 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.342 7.626 -21.398 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.308 6.771 -18.639 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.118 6.386 -20.145 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.656 5.429 -20.736 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.606 5.258 -18.993 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.966 4.255 -20.614 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.532 3.275 -20.383 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.732 2.559 -18.556 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.917 3.922 -17.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.821 5.066 -17.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.405 4.596 -19.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.573 3.556 -17.814 1.00 0.00 H new ATOM 350 N ASN A 26 -2.018 10.200 -20.474 1.00 0.00 N ATOM 351 CA ASN A 26 -2.852 11.395 -20.413 1.00 0.00 C ATOM 352 C ASN A 26 -3.477 11.552 -19.030 1.00 0.00 C ATOM 353 O ASN A 26 -4.548 12.142 -18.885 1.00 0.00 O ATOM 354 CB ASN A 26 -3.950 11.332 -21.477 1.00 0.00 C ATOM 355 CG ASN A 26 -3.420 10.892 -22.829 1.00 0.00 C ATOM 356 OD1 ASN A 26 -2.872 9.799 -22.967 1.00 0.00 O ATOM 357 ND2 ASN A 26 -3.582 11.746 -23.833 1.00 0.00 N ATOM 0 H ASN A 26 -1.040 10.379 -20.702 1.00 0.00 H new ATOM 0 HA ASN A 26 -2.218 12.260 -20.606 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.728 10.641 -21.152 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.415 12.313 -21.574 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.246 11.506 -24.766 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.043 12.642 -23.671 1.00 0.00 H new ATOM 364 N ARG A 27 -2.801 11.020 -18.018 1.00 0.00 N ATOM 365 CA ARG A 27 -3.290 11.100 -16.646 1.00 0.00 C ATOM 366 C ARG A 27 -2.210 11.642 -15.715 1.00 0.00 C ATOM 367 O ARG A 27 -1.105 11.967 -16.150 1.00 0.00 O ATOM 368 CB ARG A 27 -3.750 9.723 -16.165 1.00 0.00 C ATOM 369 CG ARG A 27 -4.892 9.142 -16.983 1.00 0.00 C ATOM 370 CD ARG A 27 -6.204 9.853 -16.691 1.00 0.00 C ATOM 371 NE ARG A 27 -6.399 11.017 -17.551 1.00 0.00 N ATOM 372 CZ ARG A 27 -6.893 10.947 -18.782 1.00 0.00 C ATOM 373 NH1 ARG A 27 -7.241 9.774 -19.294 1.00 0.00 N ATOM 374 NH2 ARG A 27 -7.041 12.051 -19.503 1.00 0.00 N ATOM 0 H ARG A 27 -1.913 10.529 -18.121 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.138 11.785 -16.628 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.905 9.035 -16.197 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -4.062 9.797 -15.123 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -4.660 9.226 -18.045 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.996 8.080 -16.762 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.032 9.157 -16.829 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.222 10.166 -15.647 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.142 11.934 -17.186 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.129 8.923 -18.742 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.620 9.723 -20.240 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.775 12.955 -19.112 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.420 11.996 -20.448 1.00 0.00 H new ATOM 388 N PHE A 28 -2.537 11.738 -14.430 1.00 0.00 N ATOM 389 CA PHE A 28 -1.595 12.241 -13.437 1.00 0.00 C ATOM 390 C PHE A 28 -1.915 11.684 -12.053 1.00 0.00 C ATOM 391 O PHE A 28 -3.032 11.831 -11.556 1.00 0.00 O ATOM 392 CB PHE A 28 -1.627 13.771 -13.403 1.00 0.00 C ATOM 393 CG PHE A 28 -1.597 14.401 -14.766 1.00 0.00 C ATOM 394 CD1 PHE A 28 -2.755 14.506 -15.520 1.00 0.00 C ATOM 395 CD2 PHE A 28 -0.413 14.889 -15.293 1.00 0.00 C ATOM 396 CE1 PHE A 28 -2.731 15.085 -16.775 1.00 0.00 C ATOM 397 CE2 PHE A 28 -0.382 15.469 -16.547 1.00 0.00 C ATOM 398 CZ PHE A 28 -1.543 15.568 -17.289 1.00 0.00 C ATOM 0 H PHE A 28 -3.447 11.474 -14.052 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.596 11.911 -13.720 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.527 14.096 -12.881 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.776 14.132 -12.826 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.687 14.131 -15.123 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.498 14.815 -14.717 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.640 15.160 -17.353 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.549 15.844 -16.946 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.522 16.022 -18.269 1.00 0.00 H new ATOM 408 N TRP A 29 -0.928 11.044 -11.437 1.00 0.00 N ATOM 409 CA TRP A 29 -1.104 10.464 -10.110 1.00 0.00 C ATOM 410 C TRP A 29 -0.138 11.090 -9.110 1.00 0.00 C ATOM 411 O TRP A 29 1.026 11.337 -9.428 1.00 0.00 O ATOM 412 CB TRP A 29 -0.895 8.950 -10.162 1.00 0.00 C ATOM 413 CG TRP A 29 -1.942 8.232 -10.958 1.00 0.00 C ATOM 414 CD1 TRP A 29 -3.111 7.706 -10.489 1.00 0.00 C ATOM 415 CD2 TRP A 29 -1.912 7.960 -12.364 1.00 0.00 C ATOM 416 NE1 TRP A 29 -3.811 7.123 -11.518 1.00 0.00 N ATOM 417 CE2 TRP A 29 -3.097 7.267 -12.679 1.00 0.00 C ATOM 418 CE3 TRP A 29 -1.002 8.237 -13.387 1.00 0.00 C ATOM 419 CZ2 TRP A 29 -3.392 6.847 -13.973 1.00 0.00 C ATOM 420 CZ3 TRP A 29 -1.295 7.819 -14.671 1.00 0.00 C ATOM 421 CH2 TRP A 29 -2.483 7.131 -14.955 1.00 0.00 C ATOM 0 H TRP A 29 0.002 10.913 -11.835 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.122 10.672 -9.781 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.085 8.740 -10.591 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.888 8.556 -9.146 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.438 7.743 -9.460 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.715 6.659 -11.432 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.085 8.769 -13.178 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -4.306 6.316 -14.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.597 8.026 -15.469 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -2.685 6.819 -15.969 1.00 0.00 H new ATOM 432 N HIS A 30 -0.627 11.344 -7.901 1.00 0.00 N ATOM 433 CA HIS A 30 0.195 11.940 -6.853 1.00 0.00 C ATOM 434 C HIS A 30 1.385 11.046 -6.521 1.00 0.00 C ATOM 435 O HIS A 30 1.390 9.858 -6.844 1.00 0.00 O ATOM 436 CB HIS A 30 -0.641 12.184 -5.597 1.00 0.00 C ATOM 437 CG HIS A 30 -1.356 13.500 -5.599 1.00 0.00 C ATOM 438 ND1 HIS A 30 -2.730 13.610 -5.638 1.00 0.00 N ATOM 439 CD2 HIS A 30 -0.880 14.766 -5.564 1.00 0.00 C ATOM 440 CE1 HIS A 30 -3.068 14.887 -5.629 1.00 0.00 C ATOM 441 NE2 HIS A 30 -1.964 15.610 -5.584 1.00 0.00 N ATOM 0 H HIS A 30 -1.588 11.147 -7.622 1.00 0.00 H new ATOM 0 HA HIS A 30 0.572 12.894 -7.220 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.373 11.383 -5.496 1.00 0.00 H new ATOM 0 HB3 HIS A 30 0.008 12.134 -4.723 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.383 12.827 -5.669 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.159 15.059 -5.527 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.076 15.274 -5.654 1.00 0.00 H new ATOM 449 N ASP A 31 2.392 11.625 -5.876 1.00 0.00 N ATOM 450 CA ASP A 31 3.588 10.880 -5.500 1.00 0.00 C ATOM 451 C ASP A 31 3.240 9.732 -4.559 1.00 0.00 C ATOM 452 O ASP A 31 4.060 8.848 -4.309 1.00 0.00 O ATOM 453 CB ASP A 31 4.606 11.809 -4.837 1.00 0.00 C ATOM 454 CG ASP A 31 4.334 12.004 -3.358 1.00 0.00 C ATOM 455 OD1 ASP A 31 3.215 12.438 -3.013 1.00 0.00 O ATOM 456 OD2 ASP A 31 5.240 11.723 -2.546 1.00 0.00 O ATOM 0 H ASP A 31 2.404 12.608 -5.603 1.00 0.00 H new ATOM 0 HA ASP A 31 4.026 10.462 -6.407 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.607 11.399 -4.968 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.590 12.777 -5.337 1.00 0.00 H new ATOM 461 N THR A 32 2.017 9.750 -4.037 1.00 0.00 N ATOM 462 CA THR A 32 1.560 8.713 -3.122 1.00 0.00 C ATOM 463 C THR A 32 0.436 7.890 -3.740 1.00 0.00 C ATOM 464 O THR A 32 0.124 6.794 -3.271 1.00 0.00 O ATOM 465 CB THR A 32 1.070 9.314 -1.791 1.00 0.00 C ATOM 466 OG1 THR A 32 -0.020 10.211 -2.031 1.00 0.00 O ATOM 467 CG2 THR A 32 2.195 10.053 -1.083 1.00 0.00 C ATOM 0 H THR A 32 1.325 10.473 -4.233 1.00 0.00 H new ATOM 0 HA THR A 32 2.415 8.065 -2.927 1.00 0.00 H new ATOM 0 HB THR A 32 0.735 8.498 -1.151 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.327 10.588 -1.180 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.824 10.468 -0.146 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.011 9.361 -0.875 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.557 10.860 -1.720 1.00 0.00 H new ATOM 475 N CYS A 33 -0.171 8.424 -4.795 1.00 0.00 N ATOM 476 CA CYS A 33 -1.261 7.739 -5.478 1.00 0.00 C ATOM 477 C CYS A 33 -0.723 6.767 -6.524 1.00 0.00 C ATOM 478 O CYS A 33 -1.257 5.672 -6.704 1.00 0.00 O ATOM 479 CB CYS A 33 -2.193 8.755 -6.142 1.00 0.00 C ATOM 480 SG CYS A 33 -3.234 9.685 -4.972 1.00 0.00 S ATOM 0 H CYS A 33 0.074 9.330 -5.195 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.822 7.172 -4.735 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.593 9.460 -6.718 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.837 8.233 -6.849 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.252 10.190 -5.603 1.00 0.00 H new ATOM 485 N PHE A 34 0.339 7.174 -7.211 1.00 0.00 N ATOM 486 CA PHE A 34 0.951 6.340 -8.239 1.00 0.00 C ATOM 487 C PHE A 34 1.637 5.127 -7.619 1.00 0.00 C ATOM 488 O PHE A 34 2.749 5.227 -7.101 1.00 0.00 O ATOM 489 CB PHE A 34 1.962 7.153 -9.050 1.00 0.00 C ATOM 490 CG PHE A 34 2.480 6.429 -10.260 1.00 0.00 C ATOM 491 CD1 PHE A 34 1.666 6.224 -11.362 1.00 0.00 C ATOM 492 CD2 PHE A 34 3.782 5.954 -10.295 1.00 0.00 C ATOM 493 CE1 PHE A 34 2.141 5.559 -12.477 1.00 0.00 C ATOM 494 CE2 PHE A 34 4.261 5.289 -11.407 1.00 0.00 C ATOM 495 CZ PHE A 34 3.439 5.090 -12.499 1.00 0.00 C ATOM 0 H PHE A 34 0.794 8.077 -7.075 1.00 0.00 H new ATOM 0 HA PHE A 34 0.162 5.988 -8.903 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.496 8.086 -9.367 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.802 7.418 -8.408 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.649 6.588 -11.350 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.429 6.106 -9.444 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.497 5.407 -13.330 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.278 4.925 -11.423 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.811 4.568 -13.368 1.00 0.00 H new ATOM 505 N ARG A 35 0.965 3.982 -7.674 1.00 0.00 N ATOM 506 CA ARG A 35 1.508 2.749 -7.117 1.00 0.00 C ATOM 507 C ARG A 35 0.851 1.528 -7.754 1.00 0.00 C ATOM 508 O ARG A 35 -0.084 1.655 -8.546 1.00 0.00 O ATOM 509 CB ARG A 35 1.305 2.718 -5.601 1.00 0.00 C ATOM 510 CG ARG A 35 -0.142 2.514 -5.184 1.00 0.00 C ATOM 511 CD ARG A 35 -0.264 2.299 -3.683 1.00 0.00 C ATOM 512 NE ARG A 35 -0.400 3.560 -2.959 1.00 0.00 N ATOM 513 CZ ARG A 35 -0.029 3.725 -1.694 1.00 0.00 C ATOM 514 NH1 ARG A 35 0.498 2.714 -1.018 1.00 0.00 N ATOM 515 NH2 ARG A 35 -0.185 4.903 -1.104 1.00 0.00 N ATOM 0 H ARG A 35 0.043 3.882 -8.099 1.00 0.00 H new ATOM 0 HA ARG A 35 2.576 2.720 -7.335 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.912 1.918 -5.178 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.669 3.653 -5.175 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.732 3.382 -5.478 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.556 1.654 -5.711 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.128 1.667 -3.476 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.615 1.766 -3.321 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.802 4.358 -3.452 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.619 1.807 -1.469 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.782 2.843 -0.047 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.590 5.683 -1.622 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.100 5.029 -0.133 1.00 0.00 H new ATOM 529 N CYS A 36 1.346 0.346 -7.404 1.00 0.00 N ATOM 530 CA CYS A 36 0.809 -0.898 -7.941 1.00 0.00 C ATOM 531 C CYS A 36 -0.624 -1.121 -7.468 1.00 0.00 C ATOM 532 O CYS A 36 -1.112 -0.421 -6.582 1.00 0.00 O ATOM 533 CB CYS A 36 1.686 -2.080 -7.522 1.00 0.00 C ATOM 534 SG CYS A 36 1.534 -3.538 -8.603 1.00 0.00 S ATOM 0 H CYS A 36 2.119 0.224 -6.750 1.00 0.00 H new ATOM 0 HA CYS A 36 0.807 -0.824 -9.028 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.727 -1.759 -7.507 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.427 -2.368 -6.503 1.00 0.00 H new ATOM 0 HG CYS A 36 2.657 -4.193 -8.608 1.00 0.00 H new ATOM 539 N ALA A 37 -1.293 -2.102 -8.066 1.00 0.00 N ATOM 540 CA ALA A 37 -2.669 -2.419 -7.705 1.00 0.00 C ATOM 541 C ALA A 37 -2.756 -3.777 -7.016 1.00 0.00 C ATOM 542 O ALA A 37 -3.773 -4.112 -6.408 1.00 0.00 O ATOM 543 CB ALA A 37 -3.558 -2.393 -8.939 1.00 0.00 C ATOM 0 H ALA A 37 -0.904 -2.691 -8.803 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.019 -1.661 -7.004 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.583 -2.632 -8.654 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.528 -1.400 -9.388 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.201 -3.128 -9.660 1.00 0.00 H new ATOM 549 N LYS A 38 -1.685 -4.556 -7.116 1.00 0.00 N ATOM 550 CA LYS A 38 -1.640 -5.879 -6.503 1.00 0.00 C ATOM 551 C LYS A 38 -0.914 -5.832 -5.162 1.00 0.00 C ATOM 552 O LYS A 38 -1.425 -6.313 -4.151 1.00 0.00 O ATOM 553 CB LYS A 38 -0.945 -6.873 -7.437 1.00 0.00 C ATOM 554 CG LYS A 38 -1.444 -8.299 -7.285 1.00 0.00 C ATOM 555 CD LYS A 38 -1.039 -9.160 -8.470 1.00 0.00 C ATOM 556 CE LYS A 38 -2.069 -9.091 -9.587 1.00 0.00 C ATOM 557 NZ LYS A 38 -3.249 -9.955 -9.307 1.00 0.00 N ATOM 0 H LYS A 38 -0.835 -4.294 -7.616 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.665 -6.208 -6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.092 -6.553 -8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.128 -6.850 -7.246 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.044 -8.730 -6.367 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.530 -8.297 -7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.070 -8.831 -8.846 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.921 -10.194 -8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.397 -8.059 -9.716 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.608 -9.399 -10.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.928 -9.880 -10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.940 -10.943 -9.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.704 -9.646 -8.425 1.00 0.00 H new ATOM 571 N CYS A 39 0.280 -5.248 -5.161 1.00 0.00 N ATOM 572 CA CYS A 39 1.076 -5.137 -3.945 1.00 0.00 C ATOM 573 C CYS A 39 0.966 -3.737 -3.349 1.00 0.00 C ATOM 574 O CYS A 39 1.320 -3.514 -2.190 1.00 0.00 O ATOM 575 CB CYS A 39 2.541 -5.465 -4.238 1.00 0.00 C ATOM 576 SG CYS A 39 3.323 -4.356 -5.453 1.00 0.00 S ATOM 0 H CYS A 39 0.717 -4.844 -5.989 1.00 0.00 H new ATOM 0 HA CYS A 39 0.688 -5.853 -3.220 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.105 -5.421 -3.306 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.607 -6.490 -4.603 1.00 0.00 H new ATOM 0 HG CYS A 39 2.604 -4.323 -6.536 1.00 0.00 H new ATOM 581 N LEU A 40 0.473 -2.797 -4.148 1.00 0.00 N ATOM 582 CA LEU A 40 0.316 -1.418 -3.700 1.00 0.00 C ATOM 583 C LEU A 40 1.672 -0.779 -3.416 1.00 0.00 C ATOM 584 O LEU A 40 1.909 -0.260 -2.325 1.00 0.00 O ATOM 585 CB LEU A 40 -0.558 -1.364 -2.446 1.00 0.00 C ATOM 586 CG LEU A 40 -1.855 -2.173 -2.497 1.00 0.00 C ATOM 587 CD1 LEU A 40 -2.282 -2.586 -1.097 1.00 0.00 C ATOM 588 CD2 LEU A 40 -2.956 -1.373 -3.178 1.00 0.00 C ATOM 0 H LEU A 40 0.175 -2.965 -5.109 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.169 -0.857 -4.498 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.033 -1.715 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.810 -0.322 -2.248 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.675 -3.076 -3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.207 -3.161 -1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.502 -3.198 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.444 -1.696 -0.489 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.871 -1.964 -3.205 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.135 -0.453 -2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.652 -1.128 -4.196 1.00 0.00 H new ATOM 600 N HIS A 41 2.558 -0.819 -4.406 1.00 0.00 N ATOM 601 CA HIS A 41 3.890 -0.242 -4.263 1.00 0.00 C ATOM 602 C HIS A 41 4.113 0.868 -5.286 1.00 0.00 C ATOM 603 O HIS A 41 3.802 0.727 -6.469 1.00 0.00 O ATOM 604 CB HIS A 41 4.958 -1.324 -4.427 1.00 0.00 C ATOM 605 CG HIS A 41 6.358 -0.797 -4.365 1.00 0.00 C ATOM 606 ND1 HIS A 41 7.188 -0.989 -3.280 1.00 0.00 N ATOM 607 CD2 HIS A 41 7.076 -0.082 -5.263 1.00 0.00 C ATOM 608 CE1 HIS A 41 8.354 -0.414 -3.513 1.00 0.00 C ATOM 609 NE2 HIS A 41 8.312 0.143 -4.709 1.00 0.00 N ATOM 0 H HIS A 41 2.378 -1.245 -5.315 1.00 0.00 H new ATOM 0 HA HIS A 41 3.968 0.187 -3.264 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.826 -2.074 -3.647 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.810 -1.827 -5.382 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.739 0.250 -6.234 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.198 -0.402 -2.840 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.074 0.657 -5.150 1.00 0.00 H new ATOM 618 N PRO A 42 4.664 2.000 -4.822 1.00 0.00 N ATOM 619 CA PRO A 42 4.940 3.156 -5.679 1.00 0.00 C ATOM 620 C PRO A 42 6.076 2.890 -6.662 1.00 0.00 C ATOM 621 O PRO A 42 7.164 2.467 -6.269 1.00 0.00 O ATOM 622 CB PRO A 42 5.339 4.248 -4.684 1.00 0.00 C ATOM 623 CG PRO A 42 5.856 3.511 -3.498 1.00 0.00 C ATOM 624 CD PRO A 42 5.060 2.237 -3.423 1.00 0.00 C ATOM 0 HA PRO A 42 4.083 3.418 -6.299 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.100 4.906 -5.103 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.486 4.874 -4.420 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.920 3.301 -3.603 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.736 4.101 -2.589 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.656 1.414 -3.029 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.192 2.343 -2.772 1.00 0.00 H new ATOM 632 N LEU A 43 5.817 3.141 -7.940 1.00 0.00 N ATOM 633 CA LEU A 43 6.819 2.930 -8.980 1.00 0.00 C ATOM 634 C LEU A 43 7.494 4.243 -9.361 1.00 0.00 C ATOM 635 O LEU A 43 8.108 4.352 -10.422 1.00 0.00 O ATOM 636 CB LEU A 43 6.175 2.297 -10.214 1.00 0.00 C ATOM 637 CG LEU A 43 5.417 0.989 -9.981 1.00 0.00 C ATOM 638 CD1 LEU A 43 6.214 0.066 -9.072 1.00 0.00 C ATOM 639 CD2 LEU A 43 4.043 1.267 -9.389 1.00 0.00 C ATOM 0 H LEU A 43 4.922 3.491 -8.282 1.00 0.00 H new ATOM 0 HA LEU A 43 7.578 2.254 -8.587 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.486 3.020 -10.650 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.955 2.114 -10.953 1.00 0.00 H new ATOM 0 HG LEU A 43 5.283 0.493 -10.942 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.660 -0.860 -8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.175 -0.160 -9.535 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.379 0.555 -8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.518 0.325 -9.230 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.155 1.785 -8.437 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.470 1.890 -10.076 1.00 0.00 H new ATOM 651 N ALA A 44 7.377 5.238 -8.487 1.00 0.00 N ATOM 652 CA ALA A 44 7.979 6.543 -8.730 1.00 0.00 C ATOM 653 C ALA A 44 9.433 6.403 -9.169 1.00 0.00 C ATOM 654 O ALA A 44 9.797 6.797 -10.276 1.00 0.00 O ATOM 655 CB ALA A 44 7.883 7.409 -7.483 1.00 0.00 C ATOM 0 H ALA A 44 6.871 5.165 -7.605 1.00 0.00 H new ATOM 0 HA ALA A 44 7.428 7.026 -9.537 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.337 8.381 -7.679 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.835 7.545 -7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.408 6.923 -6.661 1.00 0.00 H new ATOM 661 N ASN A 45 10.259 5.842 -8.292 1.00 0.00 N ATOM 662 CA ASN A 45 11.674 5.652 -8.589 1.00 0.00 C ATOM 663 C ASN A 45 11.912 4.306 -9.268 1.00 0.00 C ATOM 664 O ASN A 45 12.973 4.070 -9.843 1.00 0.00 O ATOM 665 CB ASN A 45 12.503 5.742 -7.306 1.00 0.00 C ATOM 666 CG ASN A 45 12.556 4.424 -6.558 1.00 0.00 C ATOM 667 OD1 ASN A 45 13.599 3.774 -6.496 1.00 0.00 O ATOM 668 ND2 ASN A 45 11.427 4.023 -5.986 1.00 0.00 N ATOM 0 H ASN A 45 9.973 5.511 -7.370 1.00 0.00 H new ATOM 0 HA ASN A 45 11.985 6.443 -9.271 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.517 6.057 -7.553 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.080 6.508 -6.657 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.401 3.144 -5.470 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.585 4.594 -6.063 1.00 0.00 H new ATOM 675 N GLU A 46 10.916 3.429 -9.195 1.00 0.00 N ATOM 676 CA GLU A 46 11.017 2.107 -9.802 1.00 0.00 C ATOM 677 C GLU A 46 10.324 2.078 -11.161 1.00 0.00 C ATOM 678 O GLU A 46 9.789 3.088 -11.621 1.00 0.00 O ATOM 679 CB GLU A 46 10.403 1.050 -8.881 1.00 0.00 C ATOM 680 CG GLU A 46 11.350 0.565 -7.796 1.00 0.00 C ATOM 681 CD GLU A 46 12.617 -0.048 -8.359 1.00 0.00 C ATOM 682 OE1 GLU A 46 13.581 0.705 -8.609 1.00 0.00 O ATOM 683 OE2 GLU A 46 12.645 -1.282 -8.549 1.00 0.00 O ATOM 0 H GLU A 46 10.031 3.610 -8.722 1.00 0.00 H new ATOM 0 HA GLU A 46 12.074 1.882 -9.947 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.509 1.463 -8.414 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.085 0.198 -9.481 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.612 1.401 -7.148 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.839 -0.171 -7.176 1.00 0.00 H new ATOM 690 N THR A 47 10.337 0.912 -11.801 1.00 0.00 N ATOM 691 CA THR A 47 9.712 0.750 -13.107 1.00 0.00 C ATOM 692 C THR A 47 8.273 0.265 -12.972 1.00 0.00 C ATOM 693 O THR A 47 7.927 -0.423 -12.011 1.00 0.00 O ATOM 694 CB THR A 47 10.496 -0.242 -13.986 1.00 0.00 C ATOM 695 OG1 THR A 47 11.885 0.108 -14.001 1.00 0.00 O ATOM 696 CG2 THR A 47 9.955 -0.251 -15.408 1.00 0.00 C ATOM 0 H THR A 47 10.774 0.066 -11.435 1.00 0.00 H new ATOM 0 HA THR A 47 9.719 1.730 -13.584 1.00 0.00 H new ATOM 0 HB THR A 47 10.377 -1.240 -13.563 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.377 -0.529 -14.561 1.00 0.00 H new ATOM 0 HG21 THR A 47 10.525 -0.959 -16.010 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.906 -0.547 -15.396 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.046 0.746 -15.838 1.00 0.00 H new ATOM 704 N PHE A 48 7.438 0.627 -13.941 1.00 0.00 N ATOM 705 CA PHE A 48 6.036 0.228 -13.929 1.00 0.00 C ATOM 706 C PHE A 48 5.603 -0.277 -15.303 1.00 0.00 C ATOM 707 O PHE A 48 6.262 -0.016 -16.309 1.00 0.00 O ATOM 708 CB PHE A 48 5.153 1.402 -13.504 1.00 0.00 C ATOM 709 CG PHE A 48 5.270 2.598 -14.405 1.00 0.00 C ATOM 710 CD1 PHE A 48 6.274 3.533 -14.210 1.00 0.00 C ATOM 711 CD2 PHE A 48 4.377 2.787 -15.447 1.00 0.00 C ATOM 712 CE1 PHE A 48 6.385 4.635 -15.038 1.00 0.00 C ATOM 713 CE2 PHE A 48 4.483 3.886 -16.278 1.00 0.00 C ATOM 714 CZ PHE A 48 5.488 4.812 -16.073 1.00 0.00 C ATOM 0 H PHE A 48 7.708 1.196 -14.744 1.00 0.00 H new ATOM 0 HA PHE A 48 5.921 -0.583 -13.210 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.114 1.075 -13.481 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.417 1.695 -12.488 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.978 3.400 -13.402 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.589 2.067 -15.612 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.172 5.356 -14.875 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.781 4.021 -17.087 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.572 5.672 -16.721 1.00 0.00 H new ATOM 724 N VAL A 49 4.490 -1.003 -15.336 1.00 0.00 N ATOM 725 CA VAL A 49 3.967 -1.545 -16.585 1.00 0.00 C ATOM 726 C VAL A 49 2.467 -1.301 -16.705 1.00 0.00 C ATOM 727 O VAL A 49 1.714 -1.526 -15.758 1.00 0.00 O ATOM 728 CB VAL A 49 4.241 -3.056 -16.699 1.00 0.00 C ATOM 729 CG1 VAL A 49 3.681 -3.603 -18.003 1.00 0.00 C ATOM 730 CG2 VAL A 49 5.733 -3.336 -16.591 1.00 0.00 C ATOM 0 H VAL A 49 3.933 -1.230 -14.512 1.00 0.00 H new ATOM 0 HA VAL A 49 4.482 -1.028 -17.395 1.00 0.00 H new ATOM 0 HB VAL A 49 3.739 -3.562 -15.875 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.884 -4.672 -18.066 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.604 -3.436 -18.035 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.153 -3.094 -18.843 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.909 -4.409 -16.674 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.259 -2.819 -17.394 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.101 -2.981 -15.628 1.00 0.00 H new ATOM 740 N ALA A 50 2.040 -0.840 -17.875 1.00 0.00 N ATOM 741 CA ALA A 50 0.629 -0.568 -18.120 1.00 0.00 C ATOM 742 C ALA A 50 0.004 -1.651 -18.993 1.00 0.00 C ATOM 743 O ALA A 50 0.322 -1.769 -20.177 1.00 0.00 O ATOM 744 CB ALA A 50 0.459 0.798 -18.769 1.00 0.00 C ATOM 0 H ALA A 50 2.651 -0.647 -18.669 1.00 0.00 H new ATOM 0 HA ALA A 50 0.113 -0.569 -17.160 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.600 0.987 -18.946 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.860 1.567 -18.109 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.995 0.819 -19.718 1.00 0.00 H new ATOM 750 N LYS A 51 -0.885 -2.441 -18.402 1.00 0.00 N ATOM 751 CA LYS A 51 -1.556 -3.515 -19.125 1.00 0.00 C ATOM 752 C LYS A 51 -3.030 -3.593 -18.740 1.00 0.00 C ATOM 753 O LYS A 51 -3.402 -3.290 -17.606 1.00 0.00 O ATOM 754 CB LYS A 51 -0.872 -4.854 -18.839 1.00 0.00 C ATOM 755 CG LYS A 51 0.270 -5.169 -19.791 1.00 0.00 C ATOM 756 CD LYS A 51 1.089 -6.354 -19.306 1.00 0.00 C ATOM 757 CE LYS A 51 0.383 -7.672 -19.586 1.00 0.00 C ATOM 758 NZ LYS A 51 0.697 -8.191 -20.946 1.00 0.00 N ATOM 0 H LYS A 51 -1.158 -2.358 -17.423 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.488 -3.299 -20.191 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.491 -4.847 -17.818 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.613 -5.651 -18.898 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.130 -5.383 -20.782 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.915 -4.296 -19.889 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.062 -6.350 -19.797 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.271 -6.258 -18.236 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.679 -8.408 -18.839 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.694 -7.535 -19.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.197 -9.090 -21.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.392 -7.500 -21.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.722 -8.346 -21.030 1.00 0.00 H new ATOM 772 N ASP A 52 -3.863 -4.003 -19.689 1.00 0.00 N ATOM 773 CA ASP A 52 -5.297 -4.123 -19.449 1.00 0.00 C ATOM 774 C ASP A 52 -5.826 -2.905 -18.699 1.00 0.00 C ATOM 775 O ASP A 52 -6.635 -3.032 -17.781 1.00 0.00 O ATOM 776 CB ASP A 52 -5.597 -5.396 -18.656 1.00 0.00 C ATOM 777 CG ASP A 52 -5.621 -6.632 -19.533 1.00 0.00 C ATOM 778 OD1 ASP A 52 -6.683 -6.919 -20.125 1.00 0.00 O ATOM 779 OD2 ASP A 52 -4.578 -7.312 -19.628 1.00 0.00 O ATOM 0 H ASP A 52 -3.571 -4.258 -20.632 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.799 -4.179 -20.415 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.845 -5.521 -17.877 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.560 -5.290 -18.155 1.00 0.00 H new ATOM 784 N ASN A 53 -5.362 -1.724 -19.095 1.00 0.00 N ATOM 785 CA ASN A 53 -5.787 -0.483 -18.459 1.00 0.00 C ATOM 786 C ASN A 53 -5.613 -0.560 -16.945 1.00 0.00 C ATOM 787 O ASN A 53 -6.478 -0.121 -16.187 1.00 0.00 O ATOM 788 CB ASN A 53 -7.248 -0.184 -18.801 1.00 0.00 C ATOM 789 CG ASN A 53 -7.593 1.283 -18.635 1.00 0.00 C ATOM 790 OD1 ASN A 53 -6.762 2.159 -18.879 1.00 0.00 O ATOM 791 ND2 ASN A 53 -8.823 1.558 -18.218 1.00 0.00 N ATOM 0 H ASN A 53 -4.691 -1.601 -19.854 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.160 0.324 -18.839 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.447 -0.487 -19.829 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.897 -0.782 -18.161 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.113 2.527 -18.088 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.478 0.800 -18.028 1.00 0.00 H new ATOM 798 N LYS A 54 -4.489 -1.120 -16.512 1.00 0.00 N ATOM 799 CA LYS A 54 -4.199 -1.254 -15.090 1.00 0.00 C ATOM 800 C LYS A 54 -2.708 -1.075 -14.819 1.00 0.00 C ATOM 801 O LYS A 54 -1.869 -1.475 -15.627 1.00 0.00 O ATOM 802 CB LYS A 54 -4.660 -2.622 -14.580 1.00 0.00 C ATOM 803 CG LYS A 54 -6.163 -2.725 -14.390 1.00 0.00 C ATOM 804 CD LYS A 54 -6.522 -3.753 -13.331 1.00 0.00 C ATOM 805 CE LYS A 54 -6.634 -3.118 -11.953 1.00 0.00 C ATOM 806 NZ LYS A 54 -5.323 -3.088 -11.248 1.00 0.00 N ATOM 0 H LYS A 54 -3.763 -1.489 -17.126 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.743 -0.473 -14.559 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.338 -3.390 -15.283 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.167 -2.832 -13.631 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.562 -1.752 -14.104 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.632 -2.996 -15.336 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.467 -4.230 -13.591 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.764 -4.536 -13.311 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.017 -2.102 -12.051 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.356 -3.674 -11.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.435 -3.476 -10.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.632 -3.660 -11.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.984 -2.107 -11.186 1.00 0.00 H new ATOM 820 N ILE A 55 -2.387 -0.474 -13.678 1.00 0.00 N ATOM 821 CA ILE A 55 -0.997 -0.246 -13.301 1.00 0.00 C ATOM 822 C ILE A 55 -0.460 -1.396 -12.458 1.00 0.00 C ATOM 823 O ILE A 55 -1.054 -1.767 -11.444 1.00 0.00 O ATOM 824 CB ILE A 55 -0.836 1.070 -12.517 1.00 0.00 C ATOM 825 CG1 ILE A 55 -1.407 2.241 -13.320 1.00 0.00 C ATOM 826 CG2 ILE A 55 0.629 1.313 -12.186 1.00 0.00 C ATOM 827 CD1 ILE A 55 -0.693 2.480 -14.631 1.00 0.00 C ATOM 0 H ILE A 55 -3.070 -0.137 -12.999 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.425 -0.181 -14.227 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.392 0.989 -11.583 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.462 2.054 -13.519 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.352 3.146 -12.716 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.727 2.247 -11.632 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.006 0.490 -11.579 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.205 1.377 -13.109 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.151 3.324 -15.146 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.357 2.699 -14.439 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.770 1.589 -15.255 1.00 0.00 H new ATOM 839 N LEU A 56 0.667 -1.957 -12.881 1.00 0.00 N ATOM 840 CA LEU A 56 1.287 -3.066 -12.163 1.00 0.00 C ATOM 841 C LEU A 56 2.807 -2.934 -12.166 1.00 0.00 C ATOM 842 O LEU A 56 3.378 -2.228 -12.997 1.00 0.00 O ATOM 843 CB LEU A 56 0.878 -4.399 -12.793 1.00 0.00 C ATOM 844 CG LEU A 56 -0.586 -4.803 -12.615 1.00 0.00 C ATOM 845 CD1 LEU A 56 -0.922 -5.992 -13.503 1.00 0.00 C ATOM 846 CD2 LEU A 56 -0.878 -5.125 -11.157 1.00 0.00 C ATOM 0 H LEU A 56 1.171 -1.663 -13.718 1.00 0.00 H new ATOM 0 HA LEU A 56 0.940 -3.038 -11.130 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.095 -4.356 -13.860 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.505 -5.185 -12.372 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.214 -3.963 -12.913 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.968 -6.266 -13.364 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.752 -5.726 -14.546 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.287 -6.837 -13.236 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.925 -5.410 -11.050 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.242 -5.949 -10.832 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.677 -4.247 -10.543 1.00 0.00 H new ATOM 858 N CYS A 57 3.456 -3.621 -11.232 1.00 0.00 N ATOM 859 CA CYS A 57 4.910 -3.583 -11.126 1.00 0.00 C ATOM 860 C CYS A 57 5.528 -4.868 -11.669 1.00 0.00 C ATOM 861 O CYS A 57 4.877 -5.911 -11.716 1.00 0.00 O ATOM 862 CB CYS A 57 5.331 -3.377 -9.670 1.00 0.00 C ATOM 863 SG CYS A 57 5.221 -4.878 -8.645 1.00 0.00 S ATOM 0 H CYS A 57 2.998 -4.211 -10.537 1.00 0.00 H new ATOM 0 HA CYS A 57 5.271 -2.746 -11.723 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.357 -3.009 -9.648 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.705 -2.602 -9.228 1.00 0.00 H new ATOM 0 HG CYS A 57 4.571 -4.610 -7.552 1.00 0.00 H new ATOM 868 N ASN A 58 6.790 -4.784 -12.078 1.00 0.00 N ATOM 869 CA ASN A 58 7.497 -5.940 -12.618 1.00 0.00 C ATOM 870 C ASN A 58 7.308 -7.161 -11.722 1.00 0.00 C ATOM 871 O ASN A 58 6.842 -8.208 -12.170 1.00 0.00 O ATOM 872 CB ASN A 58 8.987 -5.629 -12.767 1.00 0.00 C ATOM 873 CG ASN A 58 9.524 -4.806 -11.612 1.00 0.00 C ATOM 874 OD1 ASN A 58 9.884 -5.346 -10.565 1.00 0.00 O ATOM 875 ND2 ASN A 58 9.581 -3.492 -11.797 1.00 0.00 N ATOM 0 H ASN A 58 7.344 -3.928 -12.046 1.00 0.00 H new ATOM 0 HA ASN A 58 7.079 -6.164 -13.600 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.545 -6.563 -12.835 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.152 -5.091 -13.700 1.00 0.00 H new ATOM 0 HD21 ASN A 58 9.934 -2.887 -11.055 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.272 -3.088 -12.681 1.00 0.00 H new ATOM 882 N LYS A 59 7.673 -7.018 -10.452 1.00 0.00 N ATOM 883 CA LYS A 59 7.542 -8.106 -9.491 1.00 0.00 C ATOM 884 C LYS A 59 6.227 -8.853 -9.689 1.00 0.00 C ATOM 885 O LYS A 59 6.183 -10.082 -9.627 1.00 0.00 O ATOM 886 CB LYS A 59 7.623 -7.565 -8.062 1.00 0.00 C ATOM 887 CG LYS A 59 9.043 -7.448 -7.535 1.00 0.00 C ATOM 888 CD LYS A 59 9.644 -8.813 -7.243 1.00 0.00 C ATOM 889 CE LYS A 59 8.969 -9.476 -6.052 1.00 0.00 C ATOM 890 NZ LYS A 59 7.792 -10.290 -6.463 1.00 0.00 N ATOM 0 H LYS A 59 8.062 -6.158 -10.065 1.00 0.00 H new ATOM 0 HA LYS A 59 8.364 -8.803 -9.656 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.149 -6.584 -8.027 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.052 -8.219 -7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.661 -6.926 -8.265 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.046 -6.846 -6.626 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.544 -9.451 -8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 59 10.711 -8.707 -7.046 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.688 -10.112 -5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.652 -8.712 -5.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.937 -9.924 -5.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.675 -10.235 -7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.941 -11.281 -6.184 1.00 0.00 H new ATOM 904 N CYS A 60 5.157 -8.103 -9.930 1.00 0.00 N ATOM 905 CA CYS A 60 3.840 -8.693 -10.138 1.00 0.00 C ATOM 906 C CYS A 60 3.712 -9.249 -11.554 1.00 0.00 C ATOM 907 O CYS A 60 3.523 -10.451 -11.746 1.00 0.00 O ATOM 908 CB CYS A 60 2.747 -7.653 -9.886 1.00 0.00 C ATOM 909 SG CYS A 60 2.524 -7.219 -8.131 1.00 0.00 S ATOM 0 H CYS A 60 5.176 -7.085 -9.986 1.00 0.00 H new ATOM 0 HA CYS A 60 3.720 -9.514 -9.431 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.985 -6.748 -10.445 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.803 -8.031 -10.278 1.00 0.00 H new ATOM 0 HG CYS A 60 3.380 -6.298 -7.800 1.00 0.00 H new ATOM 914 N THR A 61 3.816 -8.366 -12.542 1.00 0.00 N ATOM 915 CA THR A 61 3.710 -8.767 -13.939 1.00 0.00 C ATOM 916 C THR A 61 4.473 -10.061 -14.199 1.00 0.00 C ATOM 917 O THR A 61 4.174 -10.793 -15.143 1.00 0.00 O ATOM 918 CB THR A 61 4.245 -7.672 -14.881 1.00 0.00 C ATOM 919 OG1 THR A 61 5.651 -7.494 -14.676 1.00 0.00 O ATOM 920 CG2 THR A 61 3.522 -6.354 -14.643 1.00 0.00 C ATOM 0 H THR A 61 3.974 -7.368 -12.400 1.00 0.00 H new ATOM 0 HA THR A 61 2.651 -8.925 -14.142 1.00 0.00 H new ATOM 0 HB THR A 61 4.065 -7.987 -15.909 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.897 -7.829 -13.789 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.916 -5.595 -15.319 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.456 -6.485 -14.827 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.676 -6.036 -13.612 1.00 0.00 H new ATOM 1004 N PRO A 67 -1.988 -21.941 -16.641 1.00 0.00 N ATOM 1005 CA PRO A 67 -3.156 -21.983 -17.526 1.00 0.00 C ATOM 1006 C PRO A 67 -4.193 -20.923 -17.169 1.00 0.00 C ATOM 1007 O PRO A 67 -4.292 -20.501 -16.017 1.00 0.00 O ATOM 1008 CB PRO A 67 -3.725 -23.386 -17.297 1.00 0.00 C ATOM 1009 CG PRO A 67 -3.268 -23.761 -15.930 1.00 0.00 C ATOM 1010 CD PRO A 67 -1.924 -23.111 -15.749 1.00 0.00 C ATOM 0 HA PRO A 67 -2.888 -21.781 -18.563 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.813 -23.388 -17.365 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.357 -24.089 -18.044 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -3.973 -23.415 -15.174 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.195 -24.844 -15.826 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.756 -22.818 -14.713 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.112 -23.783 -16.026 1.00 0.00 H new ATOM 1018 N LYS A 68 -4.963 -20.497 -18.164 1.00 0.00 N ATOM 1019 CA LYS A 68 -5.994 -19.487 -17.955 1.00 0.00 C ATOM 1020 C LYS A 68 -7.269 -19.847 -18.711 1.00 0.00 C ATOM 1021 O LYS A 68 -7.230 -20.156 -19.902 1.00 0.00 O ATOM 1022 CB LYS A 68 -5.491 -18.114 -18.406 1.00 0.00 C ATOM 1023 CG LYS A 68 -4.187 -17.698 -17.748 1.00 0.00 C ATOM 1024 CD LYS A 68 -4.055 -16.186 -17.680 1.00 0.00 C ATOM 1025 CE LYS A 68 -3.347 -15.633 -18.908 1.00 0.00 C ATOM 1026 NZ LYS A 68 -4.243 -15.601 -20.097 1.00 0.00 N ATOM 0 H LYS A 68 -4.893 -20.835 -19.124 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.222 -19.451 -16.890 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.356 -18.123 -19.488 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.254 -17.367 -18.186 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.137 -18.114 -16.742 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.348 -18.113 -18.307 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.044 -15.737 -17.596 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.501 -15.908 -16.783 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.987 -14.626 -18.697 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.472 -16.244 -19.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.875 -14.919 -20.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.281 -16.547 -20.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.199 -15.316 -19.804 1.00 0.00 H new ATOM 1040 N CYS A 69 -8.399 -19.803 -18.012 1.00 0.00 N ATOM 1041 CA CYS A 69 -9.686 -20.123 -18.617 1.00 0.00 C ATOM 1042 C CYS A 69 -10.039 -19.117 -19.708 1.00 0.00 C ATOM 1043 O CYS A 69 -9.450 -18.039 -19.789 1.00 0.00 O ATOM 1044 CB CYS A 69 -10.783 -20.142 -17.551 1.00 0.00 C ATOM 1045 SG CYS A 69 -12.389 -20.762 -18.148 1.00 0.00 S ATOM 0 H CYS A 69 -8.449 -19.549 -17.025 1.00 0.00 H new ATOM 0 HA CYS A 69 -9.611 -21.112 -19.070 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -10.454 -20.762 -16.717 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -10.917 -19.132 -17.164 1.00 0.00 H new ATOM 0 HG CYS A 69 -13.187 -20.942 -17.138 1.00 0.00 H new ATOM 1050 N LYS A 70 -11.005 -19.477 -20.546 1.00 0.00 N ATOM 1051 CA LYS A 70 -11.440 -18.607 -21.633 1.00 0.00 C ATOM 1052 C LYS A 70 -12.851 -18.085 -21.381 1.00 0.00 C ATOM 1053 O LYS A 70 -13.213 -17.001 -21.836 1.00 0.00 O ATOM 1054 CB LYS A 70 -11.392 -19.358 -22.965 1.00 0.00 C ATOM 1055 CG LYS A 70 -10.894 -18.511 -24.123 1.00 0.00 C ATOM 1056 CD LYS A 70 -11.940 -17.503 -24.568 1.00 0.00 C ATOM 1057 CE LYS A 70 -11.431 -16.638 -25.711 1.00 0.00 C ATOM 1058 NZ LYS A 70 -10.333 -15.732 -25.274 1.00 0.00 N ATOM 0 H LYS A 70 -11.502 -20.366 -20.493 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.760 -17.756 -21.678 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.745 -20.229 -22.858 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.390 -19.729 -23.200 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.985 -17.987 -23.827 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.631 -19.157 -24.960 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.842 -18.028 -24.882 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.217 -16.869 -23.726 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.075 -17.277 -26.519 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.253 -16.045 -26.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.117 -15.056 -26.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.629 -15.213 -24.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -9.484 -16.294 -25.059 1.00 0.00 H new ATOM 1072 N GLY A 71 -13.644 -18.865 -20.652 1.00 0.00 N ATOM 1073 CA GLY A 71 -15.006 -18.464 -20.351 1.00 0.00 C ATOM 1074 C GLY A 71 -15.068 -17.340 -19.336 1.00 0.00 C ATOM 1075 O GLY A 71 -15.848 -16.398 -19.487 1.00 0.00 O ATOM 0 H GLY A 71 -13.367 -19.767 -20.265 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -15.500 -18.148 -21.270 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -15.559 -19.323 -19.971 1.00 0.00 H new ATOM 1079 N CYS A 72 -14.247 -17.438 -18.296 1.00 0.00 N ATOM 1080 CA CYS A 72 -14.213 -16.423 -17.249 1.00 0.00 C ATOM 1081 C CYS A 72 -12.906 -15.636 -17.297 1.00 0.00 C ATOM 1082 O CYS A 72 -12.837 -14.499 -16.831 1.00 0.00 O ATOM 1083 CB CYS A 72 -14.380 -17.073 -15.874 1.00 0.00 C ATOM 1084 SG CYS A 72 -13.056 -18.246 -15.440 1.00 0.00 S ATOM 0 H CYS A 72 -13.596 -18.210 -18.155 1.00 0.00 H new ATOM 0 HA CYS A 72 -15.039 -15.732 -17.420 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -14.420 -16.290 -15.116 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -15.337 -17.594 -15.844 1.00 0.00 H new ATOM 0 HG CYS A 72 -13.580 -19.389 -15.111 1.00 0.00 H new ATOM 1089 N PHE A 73 -11.873 -16.250 -17.863 1.00 0.00 N ATOM 1090 CA PHE A 73 -10.568 -15.609 -17.971 1.00 0.00 C ATOM 1091 C PHE A 73 -9.889 -15.523 -16.607 1.00 0.00 C ATOM 1092 O PHE A 73 -9.320 -14.492 -16.247 1.00 0.00 O ATOM 1093 CB PHE A 73 -10.713 -14.208 -18.570 1.00 0.00 C ATOM 1094 CG PHE A 73 -9.452 -13.694 -19.204 1.00 0.00 C ATOM 1095 CD1 PHE A 73 -8.919 -14.316 -20.322 1.00 0.00 C ATOM 1096 CD2 PHE A 73 -8.799 -12.588 -18.682 1.00 0.00 C ATOM 1097 CE1 PHE A 73 -7.758 -13.845 -20.906 1.00 0.00 C ATOM 1098 CE2 PHE A 73 -7.639 -12.113 -19.263 1.00 0.00 C ATOM 1099 CZ PHE A 73 -7.118 -12.741 -20.377 1.00 0.00 C ATOM 0 H PHE A 73 -11.914 -17.191 -18.254 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.946 -16.216 -18.629 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.507 -14.221 -19.317 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -11.024 -13.517 -17.787 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.416 -15.178 -20.742 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -9.202 -12.092 -17.811 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.351 -14.340 -21.776 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -7.140 -11.251 -18.846 1.00 0.00 H new ATOM 0 HZ PHE A 73 -6.212 -12.370 -20.834 1.00 0.00 H new ATOM 1109 N LYS A 74 -9.954 -16.614 -15.852 1.00 0.00 N ATOM 1110 CA LYS A 74 -9.346 -16.665 -14.527 1.00 0.00 C ATOM 1111 C LYS A 74 -8.228 -17.701 -14.481 1.00 0.00 C ATOM 1112 O LYS A 74 -8.244 -18.679 -15.229 1.00 0.00 O ATOM 1113 CB LYS A 74 -10.403 -16.993 -13.470 1.00 0.00 C ATOM 1114 CG LYS A 74 -11.367 -15.850 -13.200 1.00 0.00 C ATOM 1115 CD LYS A 74 -12.036 -15.994 -11.843 1.00 0.00 C ATOM 1116 CE LYS A 74 -13.053 -17.125 -11.840 1.00 0.00 C ATOM 1117 NZ LYS A 74 -13.909 -17.098 -10.622 1.00 0.00 N ATOM 0 H LYS A 74 -10.422 -17.475 -16.135 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.919 -15.685 -14.313 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.969 -17.866 -13.793 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.903 -17.263 -12.540 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.830 -14.902 -13.243 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -12.127 -15.822 -13.980 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.279 -16.182 -11.081 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -12.530 -15.059 -11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.682 -17.050 -12.727 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -12.533 -18.081 -11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -14.589 -17.884 -10.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.312 -17.195 -9.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -14.425 -16.196 -10.580 1.00 0.00 H new ATOM 1131 N ALA A 75 -7.259 -17.481 -13.598 1.00 0.00 N ATOM 1132 CA ALA A 75 -6.135 -18.398 -13.453 1.00 0.00 C ATOM 1133 C ALA A 75 -6.612 -19.794 -13.066 1.00 0.00 C ATOM 1134 O ALA A 75 -7.197 -19.987 -12.000 1.00 0.00 O ATOM 1135 CB ALA A 75 -5.153 -17.869 -12.419 1.00 0.00 C ATOM 0 H ALA A 75 -7.230 -16.676 -12.973 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.629 -18.469 -14.416 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.319 -18.564 -12.321 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.779 -16.896 -12.737 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.656 -17.768 -11.457 1.00 0.00 H new ATOM 1141 N ILE A 76 -6.360 -20.764 -13.939 1.00 0.00 N ATOM 1142 CA ILE A 76 -6.764 -22.141 -13.688 1.00 0.00 C ATOM 1143 C ILE A 76 -5.735 -22.868 -12.829 1.00 0.00 C ATOM 1144 O ILE A 76 -4.564 -22.488 -12.789 1.00 0.00 O ATOM 1145 CB ILE A 76 -6.959 -22.919 -15.003 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -8.027 -22.244 -15.867 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -7.340 -24.363 -14.712 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -8.103 -22.795 -17.273 1.00 0.00 C ATOM 0 H ILE A 76 -5.878 -20.621 -14.826 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.714 -22.099 -13.155 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.018 -22.916 -15.553 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.998 -22.361 -15.387 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.821 -21.175 -15.915 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.474 -24.900 -15.651 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.549 -24.838 -14.132 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -8.270 -24.387 -14.144 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.881 -22.270 -17.828 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.144 -22.654 -17.771 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.339 -23.858 -17.235 1.00 0.00 H new ATOM 1160 N VAL A 77 -6.178 -23.917 -12.143 1.00 0.00 N ATOM 1161 CA VAL A 77 -5.296 -24.699 -11.287 1.00 0.00 C ATOM 1162 C VAL A 77 -5.323 -26.174 -11.670 1.00 0.00 C ATOM 1163 O VAL A 77 -6.360 -26.703 -12.070 1.00 0.00 O ATOM 1164 CB VAL A 77 -5.684 -24.559 -9.803 1.00 0.00 C ATOM 1165 CG1 VAL A 77 -4.739 -25.365 -8.925 1.00 0.00 C ATOM 1166 CG2 VAL A 77 -5.690 -23.095 -9.390 1.00 0.00 C ATOM 0 H VAL A 77 -7.144 -24.244 -12.164 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.289 -24.308 -11.430 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.691 -24.955 -9.670 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.029 -25.254 -7.880 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.790 -26.417 -9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.720 -25.003 -9.059 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.966 -23.015 -8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.697 -22.671 -9.538 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.411 -22.549 -9.997 1.00 0.00 H new ATOM 1176 N ALA A 78 -4.176 -26.834 -11.546 1.00 0.00 N ATOM 1177 CA ALA A 78 -4.069 -28.249 -11.878 1.00 0.00 C ATOM 1178 C ALA A 78 -5.105 -29.071 -11.118 1.00 0.00 C ATOM 1179 O ALA A 78 -5.839 -29.861 -11.709 1.00 0.00 O ATOM 1180 CB ALA A 78 -2.666 -28.757 -11.577 1.00 0.00 C ATOM 0 H ALA A 78 -3.308 -26.411 -11.218 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.264 -28.362 -12.944 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.600 -29.815 -11.830 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.942 -28.197 -12.168 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -2.450 -28.623 -10.517 1.00 0.00 H new ATOM 1186 N GLY A 79 -5.157 -28.879 -9.803 1.00 0.00 N ATOM 1187 CA GLY A 79 -6.106 -29.611 -8.984 1.00 0.00 C ATOM 1188 C GLY A 79 -7.544 -29.318 -9.362 1.00 0.00 C ATOM 1189 O GLY A 79 -8.381 -30.221 -9.394 1.00 0.00 O ATOM 0 H GLY A 79 -4.559 -28.230 -9.291 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.918 -30.680 -9.083 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.950 -29.356 -7.936 1.00 0.00 H new ATOM 1193 N ASP A 80 -7.834 -28.053 -9.647 1.00 0.00 N ATOM 1194 CA ASP A 80 -9.182 -27.644 -10.024 1.00 0.00 C ATOM 1195 C ASP A 80 -9.737 -28.546 -11.122 1.00 0.00 C ATOM 1196 O ASP A 80 -9.022 -29.387 -11.667 1.00 0.00 O ATOM 1197 CB ASP A 80 -9.182 -26.188 -10.494 1.00 0.00 C ATOM 1198 CG ASP A 80 -9.411 -25.213 -9.356 1.00 0.00 C ATOM 1199 OD1 ASP A 80 -8.658 -25.273 -8.362 1.00 0.00 O ATOM 1200 OD2 ASP A 80 -10.343 -24.388 -9.460 1.00 0.00 O ATOM 0 H ASP A 80 -7.154 -27.293 -9.624 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.822 -27.735 -9.147 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.229 -25.964 -10.974 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -9.958 -26.052 -11.247 1.00 0.00 H new ATOM 1205 N GLN A 81 -11.015 -28.365 -11.440 1.00 0.00 N ATOM 1206 CA GLN A 81 -11.666 -29.164 -12.471 1.00 0.00 C ATOM 1207 C GLN A 81 -11.888 -28.343 -13.737 1.00 0.00 C ATOM 1208 O GLN A 81 -12.899 -27.656 -13.873 1.00 0.00 O ATOM 1209 CB GLN A 81 -13.001 -29.705 -11.959 1.00 0.00 C ATOM 1210 CG GLN A 81 -12.882 -30.495 -10.666 1.00 0.00 C ATOM 1211 CD GLN A 81 -12.611 -29.610 -9.465 1.00 0.00 C ATOM 1212 OE1 GLN A 81 -11.459 -29.363 -9.109 1.00 0.00 O ATOM 1213 NE2 GLN A 81 -13.675 -29.127 -8.833 1.00 0.00 N ATOM 0 H GLN A 81 -11.620 -27.672 -10.998 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.012 -30.001 -12.713 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -13.686 -28.871 -11.804 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.443 -30.342 -12.725 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -13.803 -31.054 -10.500 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.079 -31.225 -10.763 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.612 -29.358 -9.163 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.555 -28.526 -8.018 1.00 0.00 H new ATOM 1222 N ASN A 82 -10.934 -28.418 -14.660 1.00 0.00 N ATOM 1223 CA ASN A 82 -11.026 -27.680 -15.915 1.00 0.00 C ATOM 1224 C ASN A 82 -11.389 -28.611 -17.068 1.00 0.00 C ATOM 1225 O ASN A 82 -11.218 -29.827 -16.975 1.00 0.00 O ATOM 1226 CB ASN A 82 -9.702 -26.974 -16.213 1.00 0.00 C ATOM 1227 CG ASN A 82 -8.516 -27.677 -15.581 1.00 0.00 C ATOM 1228 OD1 ASN A 82 -7.962 -28.617 -16.151 1.00 0.00 O ATOM 1229 ND2 ASN A 82 -8.121 -27.223 -14.397 1.00 0.00 N ATOM 0 H ASN A 82 -10.089 -28.982 -14.563 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.814 -26.934 -15.812 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.557 -26.921 -17.292 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.750 -25.948 -15.847 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.328 -27.656 -13.923 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -8.610 -26.441 -13.962 1.00 0.00 H new ATOM 1236 N VAL A 83 -11.889 -28.032 -18.154 1.00 0.00 N ATOM 1237 CA VAL A 83 -12.275 -28.808 -19.326 1.00 0.00 C ATOM 1238 C VAL A 83 -11.467 -28.393 -20.551 1.00 0.00 C ATOM 1239 O VAL A 83 -11.691 -27.325 -21.120 1.00 0.00 O ATOM 1240 CB VAL A 83 -13.775 -28.650 -19.636 1.00 0.00 C ATOM 1241 CG1 VAL A 83 -14.192 -29.593 -20.754 1.00 0.00 C ATOM 1242 CG2 VAL A 83 -14.606 -28.892 -18.385 1.00 0.00 C ATOM 0 H VAL A 83 -12.036 -27.027 -18.247 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.068 -29.853 -19.095 1.00 0.00 H new ATOM 0 HB VAL A 83 -13.953 -27.628 -19.970 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -15.255 -29.467 -20.959 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.620 -29.366 -21.654 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -14.000 -30.623 -20.452 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.663 -28.776 -18.623 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.425 -29.902 -18.018 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -14.326 -28.171 -17.617 1.00 0.00 H new ATOM 1252 N GLU A 84 -10.528 -29.244 -20.951 1.00 0.00 N ATOM 1253 CA GLU A 84 -9.687 -28.964 -22.108 1.00 0.00 C ATOM 1254 C GLU A 84 -10.333 -29.484 -23.389 1.00 0.00 C ATOM 1255 O GLU A 84 -10.824 -30.612 -23.436 1.00 0.00 O ATOM 1256 CB GLU A 84 -8.306 -29.597 -21.928 1.00 0.00 C ATOM 1257 CG GLU A 84 -7.307 -29.195 -23.001 1.00 0.00 C ATOM 1258 CD GLU A 84 -6.008 -29.971 -22.908 1.00 0.00 C ATOM 1259 OE1 GLU A 84 -5.642 -30.382 -21.787 1.00 0.00 O ATOM 1260 OE2 GLU A 84 -5.357 -30.167 -23.956 1.00 0.00 O ATOM 0 H GLU A 84 -10.331 -30.133 -20.491 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.576 -27.883 -22.190 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.911 -29.315 -20.952 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.410 -30.682 -21.929 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.751 -29.354 -23.984 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.096 -28.129 -22.915 1.00 0.00 H new ATOM 1267 N TYR A 85 -10.331 -28.653 -24.425 1.00 0.00 N ATOM 1268 CA TYR A 85 -10.919 -29.026 -25.706 1.00 0.00 C ATOM 1269 C TYR A 85 -9.933 -28.797 -26.847 1.00 0.00 C ATOM 1270 O TYR A 85 -9.356 -29.742 -27.386 1.00 0.00 O ATOM 1271 CB TYR A 85 -12.199 -28.227 -25.955 1.00 0.00 C ATOM 1272 CG TYR A 85 -12.773 -28.419 -27.341 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -12.638 -29.630 -28.009 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -13.448 -27.389 -27.984 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -13.159 -29.810 -29.275 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -13.974 -27.560 -29.250 1.00 0.00 C ATOM 1277 CZ TYR A 85 -13.827 -28.772 -29.891 1.00 0.00 C ATOM 1278 OH TYR A 85 -14.349 -28.946 -31.153 1.00 0.00 O ATOM 0 H TYR A 85 -9.929 -27.716 -24.403 1.00 0.00 H new ATOM 0 HA TYR A 85 -11.162 -30.088 -25.669 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -12.947 -28.517 -25.218 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -11.992 -27.168 -25.800 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -12.116 -30.445 -27.529 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -13.564 -26.438 -27.485 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.044 -30.758 -29.780 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -14.497 -26.749 -29.735 1.00 0.00 H new ATOM 0 HH TYR A 85 -14.789 -28.119 -31.442 1.00 0.00 H new ATOM 1288 N LYS A 86 -9.742 -27.533 -27.210 1.00 0.00 N ATOM 1289 CA LYS A 86 -8.824 -27.175 -28.285 1.00 0.00 C ATOM 1290 C LYS A 86 -7.801 -26.150 -27.808 1.00 0.00 C ATOM 1291 O LYS A 86 -8.002 -24.945 -27.950 1.00 0.00 O ATOM 1292 CB LYS A 86 -9.599 -26.619 -29.481 1.00 0.00 C ATOM 1293 CG LYS A 86 -10.561 -27.618 -30.101 1.00 0.00 C ATOM 1294 CD LYS A 86 -9.873 -28.479 -31.147 1.00 0.00 C ATOM 1295 CE LYS A 86 -10.881 -29.250 -31.985 1.00 0.00 C ATOM 1296 NZ LYS A 86 -11.608 -28.363 -32.935 1.00 0.00 N ATOM 0 H LYS A 86 -10.211 -26.739 -26.775 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.293 -28.077 -28.591 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -10.158 -25.739 -29.164 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.890 -26.290 -30.241 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.978 -28.255 -29.321 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -11.395 -27.086 -30.558 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.265 -27.849 -31.796 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.196 -29.178 -30.656 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.367 -30.034 -32.541 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.598 -29.743 -31.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.533 -28.750 -33.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -12.610 -28.308 -32.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -11.189 -27.411 -32.911 1.00 0.00 H new ATOM 1310 N GLY A 87 -6.701 -26.638 -27.242 1.00 0.00 N ATOM 1311 CA GLY A 87 -5.661 -25.750 -26.754 1.00 0.00 C ATOM 1312 C GLY A 87 -6.035 -25.086 -25.444 1.00 0.00 C ATOM 1313 O GLY A 87 -5.233 -25.042 -24.510 1.00 0.00 O ATOM 0 H GLY A 87 -6.511 -27.632 -27.113 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -4.738 -26.314 -26.621 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -5.461 -24.983 -27.503 1.00 0.00 H new ATOM 1317 N THR A 88 -7.256 -24.564 -25.373 1.00 0.00 N ATOM 1318 CA THR A 88 -7.733 -23.896 -24.169 1.00 0.00 C ATOM 1319 C THR A 88 -8.658 -24.804 -23.366 1.00 0.00 C ATOM 1320 O THR A 88 -9.326 -25.674 -23.923 1.00 0.00 O ATOM 1321 CB THR A 88 -8.479 -22.592 -24.508 1.00 0.00 C ATOM 1322 OG1 THR A 88 -7.888 -21.974 -25.656 1.00 0.00 O ATOM 1323 CG2 THR A 88 -8.445 -21.627 -23.332 1.00 0.00 C ATOM 0 H THR A 88 -7.932 -24.591 -26.136 1.00 0.00 H new ATOM 0 HA THR A 88 -6.854 -23.657 -23.571 1.00 0.00 H new ATOM 0 HB THR A 88 -9.518 -22.840 -24.724 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.369 -21.146 -25.866 1.00 0.00 H new ATOM 0 HG21 THR A 88 -8.978 -20.714 -23.595 1.00 0.00 H new ATOM 0 HG22 THR A 88 -8.922 -22.089 -22.468 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.410 -21.386 -23.089 1.00 0.00 H new ATOM 1331 N VAL A 89 -8.692 -24.594 -22.054 1.00 0.00 N ATOM 1332 CA VAL A 89 -9.538 -25.393 -21.174 1.00 0.00 C ATOM 1333 C VAL A 89 -10.510 -24.512 -20.398 1.00 0.00 C ATOM 1334 O VAL A 89 -10.104 -23.559 -19.733 1.00 0.00 O ATOM 1335 CB VAL A 89 -8.695 -26.211 -20.178 1.00 0.00 C ATOM 1336 CG1 VAL A 89 -7.327 -26.522 -20.764 1.00 0.00 C ATOM 1337 CG2 VAL A 89 -8.563 -25.468 -18.857 1.00 0.00 C ATOM 0 H VAL A 89 -8.144 -23.878 -21.577 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.101 -26.077 -21.810 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.204 -27.156 -19.988 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.746 -27.100 -20.045 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -7.447 -27.098 -21.682 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -6.806 -25.591 -20.986 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -7.964 -26.060 -18.165 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.077 -24.507 -19.027 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -9.553 -25.304 -18.432 1.00 0.00 H new ATOM 1347 N TRP A 90 -11.794 -24.837 -20.487 1.00 0.00 N ATOM 1348 CA TRP A 90 -12.826 -24.076 -19.792 1.00 0.00 C ATOM 1349 C TRP A 90 -13.266 -24.791 -18.519 1.00 0.00 C ATOM 1350 O TRP A 90 -13.545 -25.990 -18.534 1.00 0.00 O ATOM 1351 CB TRP A 90 -14.029 -23.852 -20.709 1.00 0.00 C ATOM 1352 CG TRP A 90 -13.648 -23.446 -22.100 1.00 0.00 C ATOM 1353 CD1 TRP A 90 -12.928 -24.179 -23.000 1.00 0.00 C ATOM 1354 CD2 TRP A 90 -13.967 -22.211 -22.750 1.00 0.00 C ATOM 1355 NE1 TRP A 90 -12.779 -23.474 -24.169 1.00 0.00 N ATOM 1356 CE2 TRP A 90 -13.408 -22.264 -24.042 1.00 0.00 C ATOM 1357 CE3 TRP A 90 -14.672 -21.067 -22.368 1.00 0.00 C ATOM 1358 CZ2 TRP A 90 -13.532 -21.215 -24.950 1.00 0.00 C ATOM 1359 CZ3 TRP A 90 -14.794 -20.027 -23.269 1.00 0.00 C ATOM 1360 CH2 TRP A 90 -14.227 -20.107 -24.549 1.00 0.00 C ATOM 0 H TRP A 90 -12.146 -25.623 -21.034 1.00 0.00 H new ATOM 0 HA TRP A 90 -12.405 -23.109 -19.516 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -14.618 -24.768 -20.754 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -14.669 -23.083 -20.276 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -12.534 -25.168 -22.819 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -12.281 -23.799 -24.998 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -15.114 -20.997 -21.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -13.095 -21.274 -25.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -15.335 -19.137 -22.983 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -14.341 -19.278 -25.232 1.00 0.00 H new ATOM 1371 N HIS A 91 -13.328 -24.048 -17.419 1.00 0.00 N ATOM 1372 CA HIS A 91 -13.736 -24.612 -16.137 1.00 0.00 C ATOM 1373 C HIS A 91 -14.889 -25.594 -16.319 1.00 0.00 C ATOM 1374 O HIS A 91 -15.575 -25.581 -17.341 1.00 0.00 O ATOM 1375 CB HIS A 91 -14.146 -23.498 -15.173 1.00 0.00 C ATOM 1376 CG HIS A 91 -12.985 -22.741 -14.604 1.00 0.00 C ATOM 1377 ND1 HIS A 91 -12.958 -21.366 -14.508 1.00 0.00 N ATOM 1378 CD2 HIS A 91 -11.808 -23.176 -14.098 1.00 0.00 C ATOM 1379 CE1 HIS A 91 -11.813 -20.987 -13.969 1.00 0.00 C ATOM 1380 NE2 HIS A 91 -11.097 -22.067 -13.711 1.00 0.00 N ATOM 0 H HIS A 91 -13.101 -23.054 -17.389 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.886 -25.150 -15.717 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -14.803 -22.802 -15.694 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -14.723 -23.930 -14.356 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -11.487 -24.204 -14.014 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.513 -19.968 -13.773 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -10.167 -22.076 -13.292 1.00 0.00 H new ATOM 1388 N LYS A 92 -15.098 -26.446 -15.320 1.00 0.00 N ATOM 1389 CA LYS A 92 -16.168 -27.435 -15.368 1.00 0.00 C ATOM 1390 C LYS A 92 -17.530 -26.771 -15.198 1.00 0.00 C ATOM 1391 O LYS A 92 -18.559 -27.446 -15.150 1.00 0.00 O ATOM 1392 CB LYS A 92 -15.964 -28.490 -14.279 1.00 0.00 C ATOM 1393 CG LYS A 92 -15.231 -29.730 -14.763 1.00 0.00 C ATOM 1394 CD LYS A 92 -16.062 -30.513 -15.766 1.00 0.00 C ATOM 1395 CE LYS A 92 -16.960 -31.527 -15.075 1.00 0.00 C ATOM 1396 NZ LYS A 92 -17.777 -32.301 -16.051 1.00 0.00 N ATOM 0 H LYS A 92 -14.540 -26.471 -14.467 1.00 0.00 H new ATOM 0 HA LYS A 92 -16.138 -27.919 -16.344 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -15.405 -28.046 -13.455 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -16.936 -28.784 -13.883 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -14.285 -29.439 -15.221 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -14.991 -30.367 -13.912 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -16.672 -29.825 -16.351 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -15.402 -31.027 -16.465 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -16.349 -32.213 -14.488 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -17.620 -31.012 -14.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -18.375 -32.981 -15.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -18.379 -31.649 -16.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -17.148 -32.813 -16.701 1.00 0.00 H new ATOM 1410 N ASP A 93 -17.530 -25.445 -15.110 1.00 0.00 N ATOM 1411 CA ASP A 93 -18.767 -24.690 -14.948 1.00 0.00 C ATOM 1412 C ASP A 93 -18.976 -23.732 -16.117 1.00 0.00 C ATOM 1413 O ASP A 93 -20.108 -23.470 -16.524 1.00 0.00 O ATOM 1414 CB ASP A 93 -18.746 -23.911 -13.632 1.00 0.00 C ATOM 1415 CG ASP A 93 -19.789 -22.812 -13.593 1.00 0.00 C ATOM 1416 OD1 ASP A 93 -20.980 -23.116 -13.815 1.00 0.00 O ATOM 1417 OD2 ASP A 93 -19.415 -21.648 -13.339 1.00 0.00 O ATOM 0 H ASP A 93 -16.688 -24.871 -15.148 1.00 0.00 H new ATOM 0 HA ASP A 93 -19.596 -25.398 -14.929 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -18.916 -24.599 -12.803 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -17.758 -23.475 -13.487 1.00 0.00 H new ATOM 1422 N CYS A 94 -17.877 -23.212 -16.652 1.00 0.00 N ATOM 1423 CA CYS A 94 -17.938 -22.282 -17.773 1.00 0.00 C ATOM 1424 C CYS A 94 -18.391 -22.993 -19.046 1.00 0.00 C ATOM 1425 O CYS A 94 -19.204 -22.468 -19.807 1.00 0.00 O ATOM 1426 CB CYS A 94 -16.571 -21.632 -17.999 1.00 0.00 C ATOM 1427 SG CYS A 94 -16.093 -20.440 -16.706 1.00 0.00 S ATOM 0 H CYS A 94 -16.933 -23.419 -16.327 1.00 0.00 H new ATOM 0 HA CYS A 94 -18.666 -21.508 -17.531 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -15.814 -22.414 -18.056 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -16.577 -21.123 -18.963 1.00 0.00 H new ATOM 0 HG CYS A 94 -15.031 -19.792 -17.084 1.00 0.00 H new ATOM 1432 N PHE A 95 -17.859 -24.190 -19.269 1.00 0.00 N ATOM 1433 CA PHE A 95 -18.208 -24.973 -20.449 1.00 0.00 C ATOM 1434 C PHE A 95 -19.692 -25.328 -20.447 1.00 0.00 C ATOM 1435 O PHE A 95 -20.155 -26.103 -19.610 1.00 0.00 O ATOM 1436 CB PHE A 95 -17.367 -26.250 -20.506 1.00 0.00 C ATOM 1437 CG PHE A 95 -17.220 -26.809 -21.893 1.00 0.00 C ATOM 1438 CD1 PHE A 95 -18.182 -27.658 -22.417 1.00 0.00 C ATOM 1439 CD2 PHE A 95 -16.121 -26.487 -22.672 1.00 0.00 C ATOM 1440 CE1 PHE A 95 -18.050 -28.175 -23.692 1.00 0.00 C ATOM 1441 CE2 PHE A 95 -15.984 -26.999 -23.948 1.00 0.00 C ATOM 1442 CZ PHE A 95 -16.950 -27.845 -24.458 1.00 0.00 C ATOM 0 H PHE A 95 -17.185 -24.639 -18.649 1.00 0.00 H new ATOM 0 HA PHE A 95 -17.998 -24.368 -21.331 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -16.377 -26.042 -20.100 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -17.823 -27.005 -19.865 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -19.045 -27.919 -21.822 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -15.362 -25.828 -22.277 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -18.806 -28.836 -24.088 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -15.123 -26.738 -24.546 1.00 0.00 H new ATOM 0 HZ PHE A 95 -16.845 -28.248 -25.455 1.00 0.00 H new