USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=22 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 69 CYS SG : rot 162:sc= 0.328 USER MOD Set 1.2: A 72 CYS SG : rot -105:sc= -0.0322 USER MOD Set 1.3: A 91 HIS : no HD1:sc= -1.17! C(o=-1.5!,f=-6.6!) USER MOD Set 1.4: A 94 CYS SG : rot 167:sc= -0.638 USER MOD Set 2.1: A 47 THR OG1 : rot -150:sc= 0.00631 USER MOD Set 2.2: A 58 ASN : amide:sc= -0.129 K(o=-0.12,f=-1.7!) USER MOD Set 3.1: A 36 CYS SG : rot 145:sc= -0.125 USER MOD Set 3.2: A 39 CYS SG : rot -65:sc= -1.78 USER MOD Set 3.3: A 57 CYS SG : rot -128:sc= -0.488 USER MOD Set 3.4: A 60 CYS SG : rot 146:sc= -2.4 USER MOD Set 4.1: A 8 CYS SG : rot 148:sc= 0.857 USER MOD Set 4.2: A 11 CYS SG : rot -54:sc= -0.913 USER MOD Set 4.3: A 13 LYS NZ :NH3+ 158:sc=-0.000337 (180deg=-0.341) USER MOD Set 4.4: A 30 HIS : no HE2:sc= -0.934 K(o=-1.7,f=-7.1!) USER MOD Set 4.5: A 33 CYS SG : rot 180:sc= -0.724 USER MOD Single : A 19 SER OG : rot 10:sc= 0.674! USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.947 K(o=-0.95,f=-0.24) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-1.2) 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= -2.18! C(o=-2.2!,f=-3.2!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= -0.36 (180deg=-0.367) USER MOD Single : A 53 ASN : amide:sc= -0.0188 K(o=-0.019,f=-0.98) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 161:sc= -0.0221 (180deg=-0.22) USER MOD Single : A 61 THR OG1 : rot -97:sc= 0.0991 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= -0.0781 (180deg=-0.388) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -2.15! C(o=-2.2!,f=-3.7!) USER MOD Single : A 82 ASN : amide:sc= -1.4 K(o=-1.4,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 32:sc= 0.171 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -4.875 17.357 -12.807 1.00 0.00 N ATOM 60 CA GLY A 7 -5.531 16.740 -11.669 1.00 0.00 C ATOM 61 C GLY A 7 -5.202 15.266 -11.540 1.00 0.00 C ATOM 62 O GLY A 7 -4.592 14.678 -12.432 1.00 0.00 O ATOM 0 HA2 GLY A 7 -5.232 17.257 -10.757 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.610 16.861 -11.766 1.00 0.00 H new ATOM 66 N CYS A 8 -5.607 14.667 -10.425 1.00 0.00 N ATOM 67 CA CYS A 8 -5.351 13.253 -10.180 1.00 0.00 C ATOM 68 C CYS A 8 -6.555 12.405 -10.579 1.00 0.00 C ATOM 69 O CYS A 8 -7.702 12.822 -10.419 1.00 0.00 O ATOM 70 CB CYS A 8 -5.017 13.021 -8.705 1.00 0.00 C ATOM 71 SG CYS A 8 -4.275 11.394 -8.357 1.00 0.00 S ATOM 0 H CYS A 8 -6.114 15.139 -9.677 1.00 0.00 H new ATOM 0 HA CYS A 8 -4.499 12.953 -10.790 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.331 13.800 -8.372 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.928 13.126 -8.116 1.00 0.00 H new ATOM 0 HG CYS A 8 -3.446 11.499 -7.361 1.00 0.00 H new ATOM 76 N VAL A 9 -6.286 11.212 -11.100 1.00 0.00 N ATOM 77 CA VAL A 9 -7.346 10.304 -11.521 1.00 0.00 C ATOM 78 C VAL A 9 -7.684 9.305 -10.420 1.00 0.00 C ATOM 79 O VAL A 9 -8.556 8.454 -10.588 1.00 0.00 O ATOM 80 CB VAL A 9 -6.952 9.534 -12.795 1.00 0.00 C ATOM 81 CG1 VAL A 9 -6.513 10.497 -13.888 1.00 0.00 C ATOM 82 CG2 VAL A 9 -5.854 8.525 -12.490 1.00 0.00 C ATOM 0 H VAL A 9 -5.342 10.852 -11.241 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.222 10.917 -11.732 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.826 8.989 -13.153 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.239 9.934 -14.780 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.332 11.176 -14.125 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.653 11.072 -13.543 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.588 7.990 -13.402 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.977 9.046 -12.106 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.210 7.815 -11.743 1.00 0.00 H new ATOM 92 N GLU A 10 -6.987 9.416 -9.294 1.00 0.00 N ATOM 93 CA GLU A 10 -7.213 8.522 -8.165 1.00 0.00 C ATOM 94 C GLU A 10 -7.977 9.233 -7.052 1.00 0.00 C ATOM 95 O GLU A 10 -9.033 8.773 -6.615 1.00 0.00 O ATOM 96 CB GLU A 10 -5.881 7.995 -7.628 1.00 0.00 C ATOM 97 CG GLU A 10 -5.400 6.733 -8.325 1.00 0.00 C ATOM 98 CD GLU A 10 -6.332 5.556 -8.110 1.00 0.00 C ATOM 99 OE1 GLU A 10 -7.000 5.514 -7.055 1.00 0.00 O ATOM 100 OE2 GLU A 10 -6.394 4.678 -8.995 1.00 0.00 O ATOM 0 H GLU A 10 -6.261 10.116 -9.139 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.813 7.682 -8.515 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.123 8.771 -7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -5.983 7.795 -6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.305 6.926 -9.394 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.406 6.476 -7.958 1.00 0.00 H new ATOM 107 N CYS A 11 -7.436 10.358 -6.597 1.00 0.00 N ATOM 108 CA CYS A 11 -8.064 11.134 -5.534 1.00 0.00 C ATOM 109 C CYS A 11 -8.903 12.270 -6.113 1.00 0.00 C ATOM 110 O CYS A 11 -9.485 13.064 -5.374 1.00 0.00 O ATOM 111 CB CYS A 11 -7.001 11.700 -4.590 1.00 0.00 C ATOM 112 SG CYS A 11 -5.712 12.680 -5.424 1.00 0.00 S ATOM 0 H CYS A 11 -6.564 10.753 -6.948 1.00 0.00 H new ATOM 0 HA CYS A 11 -8.721 10.470 -4.973 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -7.490 12.324 -3.842 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.528 10.875 -4.057 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.183 11.977 -6.381 1.00 0.00 H new ATOM 117 N ARG A 12 -8.959 12.340 -7.439 1.00 0.00 N ATOM 118 CA ARG A 12 -9.725 13.379 -8.117 1.00 0.00 C ATOM 119 C ARG A 12 -9.424 14.752 -7.523 1.00 0.00 C ATOM 120 O ARG A 12 -10.282 15.634 -7.504 1.00 0.00 O ATOM 121 CB ARG A 12 -11.223 13.085 -8.017 1.00 0.00 C ATOM 122 CG ARG A 12 -11.745 12.197 -9.134 1.00 0.00 C ATOM 123 CD ARG A 12 -11.663 10.726 -8.761 1.00 0.00 C ATOM 124 NE ARG A 12 -12.619 9.916 -9.511 1.00 0.00 N ATOM 125 CZ ARG A 12 -12.472 9.606 -10.794 1.00 0.00 C ATOM 126 NH1 ARG A 12 -11.412 10.035 -11.466 1.00 0.00 N ATOM 127 NH2 ARG A 12 -13.385 8.864 -11.408 1.00 0.00 N ATOM 0 H ARG A 12 -8.483 11.690 -8.065 1.00 0.00 H new ATOM 0 HA ARG A 12 -9.432 13.385 -9.167 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -11.428 12.607 -7.059 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.771 14.027 -8.027 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -12.779 12.460 -9.356 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.169 12.376 -10.042 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.653 10.361 -8.948 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.851 10.612 -7.693 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.445 9.569 -9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.707 10.604 -10.997 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.302 9.795 -12.451 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.201 8.531 -10.895 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.271 8.627 -12.393 1.00 0.00 H new ATOM 141 N LYS A 13 -8.199 14.925 -7.038 1.00 0.00 N ATOM 142 CA LYS A 13 -7.783 16.190 -6.444 1.00 0.00 C ATOM 143 C LYS A 13 -6.726 16.875 -7.306 1.00 0.00 C ATOM 144 O LYS A 13 -6.030 16.240 -8.098 1.00 0.00 O ATOM 145 CB LYS A 13 -7.234 15.959 -5.034 1.00 0.00 C ATOM 146 CG LYS A 13 -8.316 15.754 -3.987 1.00 0.00 C ATOM 147 CD LYS A 13 -7.862 16.228 -2.617 1.00 0.00 C ATOM 148 CE LYS A 13 -6.970 15.199 -1.939 1.00 0.00 C ATOM 149 NZ LYS A 13 -5.544 15.351 -2.339 1.00 0.00 N ATOM 0 H LYS A 13 -7.477 14.205 -7.045 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.656 16.840 -6.386 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.581 15.086 -5.046 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.620 16.813 -4.748 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.215 16.295 -4.281 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.581 14.698 -3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.322 17.170 -2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.733 16.425 -1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.056 15.300 -0.857 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.314 14.196 -2.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.933 14.918 -1.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.388 14.880 -3.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.314 16.361 -2.426 1.00 0.00 H new ATOM 163 N PRO A 14 -6.601 18.201 -7.148 1.00 0.00 N ATOM 164 CA PRO A 14 -5.630 19.000 -7.902 1.00 0.00 C ATOM 165 C PRO A 14 -4.193 18.715 -7.479 1.00 0.00 C ATOM 166 O PRO A 14 -3.910 18.528 -6.295 1.00 0.00 O ATOM 167 CB PRO A 14 -6.014 20.441 -7.558 1.00 0.00 C ATOM 168 CG PRO A 14 -6.688 20.348 -6.233 1.00 0.00 C ATOM 169 CD PRO A 14 -7.398 19.023 -6.222 1.00 0.00 C ATOM 0 HA PRO A 14 -5.661 18.780 -8.969 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.135 21.084 -7.511 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.679 20.864 -8.311 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.963 20.409 -5.421 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.392 21.169 -6.095 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.425 18.590 -5.222 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.431 19.118 -6.556 1.00 0.00 H new ATOM 177 N ILE A 15 -3.290 18.685 -8.453 1.00 0.00 N ATOM 178 CA ILE A 15 -1.882 18.425 -8.180 1.00 0.00 C ATOM 179 C ILE A 15 -1.054 19.700 -8.303 1.00 0.00 C ATOM 180 O ILE A 15 -1.324 20.549 -9.150 1.00 0.00 O ATOM 181 CB ILE A 15 -1.310 17.361 -9.136 1.00 0.00 C ATOM 182 CG1 ILE A 15 -2.233 16.141 -9.187 1.00 0.00 C ATOM 183 CG2 ILE A 15 0.090 16.956 -8.701 1.00 0.00 C ATOM 184 CD1 ILE A 15 -1.964 15.229 -10.363 1.00 0.00 C ATOM 0 H ILE A 15 -3.508 18.837 -9.438 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.822 18.053 -7.157 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.248 17.788 -10.137 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.122 15.572 -8.264 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.268 16.480 -9.230 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.481 16.204 -9.386 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.741 17.830 -8.712 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.053 16.544 -7.693 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.655 14.386 -10.335 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.104 15.782 -11.292 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.940 14.860 -10.311 1.00 0.00 H new ATOM 196 N GLY A 16 -0.041 19.825 -7.450 1.00 0.00 N ATOM 197 CA GLY A 16 0.813 20.998 -7.481 1.00 0.00 C ATOM 198 C GLY A 16 2.060 20.787 -8.316 1.00 0.00 C ATOM 199 O GLY A 16 2.336 19.672 -8.760 1.00 0.00 O ATOM 0 H GLY A 16 0.203 19.136 -6.739 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.251 21.842 -7.881 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.101 21.260 -6.463 1.00 0.00 H new ATOM 203 N ALA A 17 2.814 21.859 -8.533 1.00 0.00 N ATOM 204 CA ALA A 17 4.038 21.786 -9.321 1.00 0.00 C ATOM 205 C ALA A 17 5.169 21.149 -8.520 1.00 0.00 C ATOM 206 O ALA A 17 5.851 20.245 -9.002 1.00 0.00 O ATOM 207 CB ALA A 17 4.442 23.172 -9.799 1.00 0.00 C ATOM 0 H ALA A 17 2.599 22.789 -8.174 1.00 0.00 H new ATOM 0 HA ALA A 17 3.844 21.157 -10.190 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.358 23.102 -10.386 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.647 23.590 -10.416 1.00 0.00 H new ATOM 0 HB3 ALA A 17 4.612 23.819 -8.938 1.00 0.00 H new ATOM 213 N ASP A 18 5.362 21.627 -7.296 1.00 0.00 N ATOM 214 CA ASP A 18 6.411 21.105 -6.428 1.00 0.00 C ATOM 215 C ASP A 18 6.156 19.639 -6.090 1.00 0.00 C ATOM 216 O ASP A 18 7.094 18.861 -5.912 1.00 0.00 O ATOM 217 CB ASP A 18 6.496 21.929 -5.142 1.00 0.00 C ATOM 218 CG ASP A 18 7.304 23.200 -5.323 1.00 0.00 C ATOM 219 OD1 ASP A 18 8.546 23.107 -5.407 1.00 0.00 O ATOM 220 OD2 ASP A 18 6.693 24.287 -5.380 1.00 0.00 O ATOM 0 H ASP A 18 4.806 22.375 -6.882 1.00 0.00 H new ATOM 0 HA ASP A 18 7.359 21.178 -6.961 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.490 22.185 -4.811 1.00 0.00 H new ATOM 0 HB3 ASP A 18 6.946 21.324 -4.355 1.00 0.00 H new ATOM 225 N SER A 19 4.883 19.269 -6.003 1.00 0.00 N ATOM 226 CA SER A 19 4.505 17.898 -5.681 1.00 0.00 C ATOM 227 C SER A 19 4.912 16.946 -6.802 1.00 0.00 C ATOM 228 O SER A 19 4.540 17.136 -7.960 1.00 0.00 O ATOM 229 CB SER A 19 2.997 17.805 -5.440 1.00 0.00 C ATOM 230 OG SER A 19 2.285 17.784 -6.666 1.00 0.00 O ATOM 0 H SER A 19 4.095 19.900 -6.151 1.00 0.00 H new ATOM 0 HA SER A 19 5.029 17.606 -4.771 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.772 16.904 -4.869 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.668 18.653 -4.839 1.00 0.00 H new ATOM 0 HG SER A 19 2.915 17.668 -7.408 1.00 0.00 H new ATOM 236 N LYS A 20 5.678 15.920 -6.449 1.00 0.00 N ATOM 237 CA LYS A 20 6.136 14.936 -7.422 1.00 0.00 C ATOM 238 C LYS A 20 4.955 14.217 -8.066 1.00 0.00 C ATOM 239 O LYS A 20 4.374 13.307 -7.475 1.00 0.00 O ATOM 240 CB LYS A 20 7.063 13.918 -6.752 1.00 0.00 C ATOM 241 CG LYS A 20 8.487 14.415 -6.577 1.00 0.00 C ATOM 242 CD LYS A 20 9.321 14.166 -7.823 1.00 0.00 C ATOM 243 CE LYS A 20 9.841 12.738 -7.868 1.00 0.00 C ATOM 244 NZ LYS A 20 10.093 12.283 -9.264 1.00 0.00 N ATOM 0 H LYS A 20 5.995 15.748 -5.495 1.00 0.00 H new ATOM 0 HA LYS A 20 6.687 15.462 -8.201 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.656 13.656 -5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.076 13.005 -7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.476 15.482 -6.352 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.946 13.914 -5.725 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.720 14.364 -8.710 1.00 0.00 H new ATOM 0 HD3 LYS A 20 10.160 14.861 -7.845 1.00 0.00 H new ATOM 0 HE2 LYS A 20 10.763 12.669 -7.291 1.00 0.00 H new ATOM 0 HE3 LYS A 20 9.119 12.073 -7.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 10.446 11.305 -9.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.207 12.324 -9.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 10.801 12.902 -9.708 1.00 0.00 H new ATOM 258 N GLU A 21 4.607 14.630 -9.280 1.00 0.00 N ATOM 259 CA GLU A 21 3.495 14.024 -10.003 1.00 0.00 C ATOM 260 C GLU A 21 4.002 13.085 -11.093 1.00 0.00 C ATOM 261 O GLU A 21 5.124 13.229 -11.580 1.00 0.00 O ATOM 262 CB GLU A 21 2.607 15.107 -10.620 1.00 0.00 C ATOM 263 CG GLU A 21 3.227 15.785 -11.830 1.00 0.00 C ATOM 264 CD GLU A 21 2.205 16.526 -12.671 1.00 0.00 C ATOM 265 OE1 GLU A 21 1.113 16.830 -12.147 1.00 0.00 O ATOM 266 OE2 GLU A 21 2.498 16.802 -13.853 1.00 0.00 O ATOM 0 H GLU A 21 5.079 15.381 -9.784 1.00 0.00 H new ATOM 0 HA GLU A 21 2.907 13.444 -9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.655 14.663 -10.911 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.389 15.861 -9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.994 16.484 -11.497 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.725 15.036 -12.446 1.00 0.00 H new ATOM 273 N VAL A 22 3.168 12.122 -11.472 1.00 0.00 N ATOM 274 CA VAL A 22 3.531 11.159 -12.505 1.00 0.00 C ATOM 275 C VAL A 22 2.597 11.263 -13.706 1.00 0.00 C ATOM 276 O VAL A 22 1.458 10.797 -13.663 1.00 0.00 O ATOM 277 CB VAL A 22 3.496 9.717 -11.966 1.00 0.00 C ATOM 278 CG1 VAL A 22 4.056 8.747 -12.995 1.00 0.00 C ATOM 279 CG2 VAL A 22 4.264 9.620 -10.656 1.00 0.00 C ATOM 0 H VAL A 22 2.236 11.988 -11.079 1.00 0.00 H new ATOM 0 HA VAL A 22 4.548 11.398 -12.817 1.00 0.00 H new ATOM 0 HB VAL A 22 2.458 9.445 -11.774 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.023 7.733 -12.595 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.459 8.798 -13.906 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.088 9.014 -13.222 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.229 8.594 -10.289 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.301 9.912 -10.820 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.812 10.284 -9.919 1.00 0.00 H new ATOM 289 N HIS A 23 3.087 11.878 -14.778 1.00 0.00 N ATOM 290 CA HIS A 23 2.297 12.042 -15.993 1.00 0.00 C ATOM 291 C HIS A 23 2.474 10.845 -16.923 1.00 0.00 C ATOM 292 O HIS A 23 3.559 10.617 -17.458 1.00 0.00 O ATOM 293 CB HIS A 23 2.697 13.328 -16.717 1.00 0.00 C ATOM 294 CG HIS A 23 2.123 13.443 -18.095 1.00 0.00 C ATOM 295 ND1 HIS A 23 2.689 14.220 -19.084 1.00 0.00 N ATOM 296 CD2 HIS A 23 1.027 12.873 -18.648 1.00 0.00 C ATOM 297 CE1 HIS A 23 1.966 14.124 -20.185 1.00 0.00 C ATOM 298 NE2 HIS A 23 0.951 13.312 -19.947 1.00 0.00 N ATOM 0 H HIS A 23 4.027 12.271 -14.830 1.00 0.00 H new ATOM 0 HA HIS A 23 1.247 12.106 -15.708 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.373 14.184 -16.125 1.00 0.00 H new ATOM 0 HB3 HIS A 23 3.784 13.377 -16.780 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.340 12.198 -18.159 1.00 0.00 H new ATOM 0 HE1 HIS A 23 2.170 14.624 -21.120 1.00 0.00 H new ATOM 0 HE2 HIS A 23 0.229 13.053 -20.619 1.00 0.00 H new ATOM 307 N TYR A 24 1.401 10.085 -17.110 1.00 0.00 N ATOM 308 CA TYR A 24 1.439 8.909 -17.972 1.00 0.00 C ATOM 309 C TYR A 24 0.063 8.627 -18.569 1.00 0.00 C ATOM 310 O TYR A 24 -0.935 8.553 -17.852 1.00 0.00 O ATOM 311 CB TYR A 24 1.926 7.690 -17.187 1.00 0.00 C ATOM 312 CG TYR A 24 2.553 6.623 -18.055 1.00 0.00 C ATOM 313 CD1 TYR A 24 3.827 6.791 -18.585 1.00 0.00 C ATOM 314 CD2 TYR A 24 1.873 5.447 -18.346 1.00 0.00 C ATOM 315 CE1 TYR A 24 4.404 5.818 -19.379 1.00 0.00 C ATOM 316 CE2 TYR A 24 2.442 4.469 -19.137 1.00 0.00 C ATOM 317 CZ TYR A 24 3.708 4.659 -19.652 1.00 0.00 C ATOM 318 OH TYR A 24 4.278 3.688 -20.442 1.00 0.00 O ATOM 0 H TYR A 24 0.495 10.262 -16.677 1.00 0.00 H new ATOM 0 HA TYR A 24 2.135 9.109 -18.787 1.00 0.00 H new ATOM 0 HB2 TYR A 24 2.653 8.014 -16.442 1.00 0.00 H new ATOM 0 HB3 TYR A 24 1.085 7.258 -16.645 1.00 0.00 H new ATOM 0 HD1 TYR A 24 4.375 7.697 -18.373 1.00 0.00 H new ATOM 0 HD2 TYR A 24 0.881 5.295 -17.946 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.395 5.964 -19.784 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.899 3.560 -19.352 1.00 0.00 H new ATOM 0 HH TYR A 24 3.657 2.936 -20.535 1.00 0.00 H new ATOM 328 N LYS A 25 0.018 8.470 -19.887 1.00 0.00 N ATOM 329 CA LYS A 25 -1.233 8.194 -20.584 1.00 0.00 C ATOM 330 C LYS A 25 -2.221 9.341 -20.401 1.00 0.00 C ATOM 331 O LYS A 25 -3.392 9.121 -20.093 1.00 0.00 O ATOM 332 CB LYS A 25 -1.848 6.890 -20.071 1.00 0.00 C ATOM 333 CG LYS A 25 -0.952 5.678 -20.261 1.00 0.00 C ATOM 334 CD LYS A 25 -0.776 5.340 -21.732 1.00 0.00 C ATOM 335 CE LYS A 25 -2.026 4.691 -22.308 1.00 0.00 C ATOM 336 NZ LYS A 25 -2.080 3.233 -22.012 1.00 0.00 N ATOM 0 H LYS A 25 0.835 8.529 -20.495 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.014 8.092 -21.647 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.078 6.999 -19.011 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.793 6.717 -20.586 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.022 5.871 -19.812 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.380 4.822 -19.739 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.546 6.248 -22.290 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.073 4.667 -21.853 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.910 5.178 -21.897 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.050 4.844 -23.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.946 2.828 -22.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.249 2.764 -22.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.083 3.088 -20.982 1.00 0.00 H new ATOM 350 N ASN A 26 -1.743 10.566 -20.596 1.00 0.00 N ATOM 351 CA ASN A 26 -2.585 11.747 -20.454 1.00 0.00 C ATOM 352 C ASN A 26 -3.205 11.809 -19.062 1.00 0.00 C ATOM 353 O ASN A 26 -4.264 12.408 -18.868 1.00 0.00 O ATOM 354 CB ASN A 26 -3.687 11.744 -21.516 1.00 0.00 C ATOM 355 CG ASN A 26 -3.140 11.927 -22.918 1.00 0.00 C ATOM 356 OD1 ASN A 26 -1.937 12.109 -23.108 1.00 0.00 O ATOM 357 ND2 ASN A 26 -4.024 11.881 -23.908 1.00 0.00 N ATOM 0 H ASN A 26 -0.776 10.766 -20.853 1.00 0.00 H new ATOM 0 HA ASN A 26 -1.958 12.628 -20.593 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.236 10.804 -21.463 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.398 12.541 -21.300 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.716 11.999 -24.873 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.011 11.728 -23.703 1.00 0.00 H new ATOM 364 N ARG A 27 -2.538 11.187 -18.095 1.00 0.00 N ATOM 365 CA ARG A 27 -3.024 11.171 -16.720 1.00 0.00 C ATOM 366 C ARG A 27 -1.970 11.725 -15.765 1.00 0.00 C ATOM 367 O ARG A 27 -0.878 12.109 -16.184 1.00 0.00 O ATOM 368 CB ARG A 27 -3.403 9.747 -16.308 1.00 0.00 C ATOM 369 CG ARG A 27 -4.427 9.099 -17.226 1.00 0.00 C ATOM 370 CD ARG A 27 -5.306 8.114 -16.473 1.00 0.00 C ATOM 371 NE ARG A 27 -6.164 7.347 -17.372 1.00 0.00 N ATOM 372 CZ ARG A 27 -7.292 6.760 -16.989 1.00 0.00 C ATOM 373 NH1 ARG A 27 -7.697 6.851 -15.730 1.00 0.00 N ATOM 374 NH2 ARG A 27 -8.018 6.079 -17.867 1.00 0.00 N ATOM 0 H ARG A 27 -1.660 10.688 -18.238 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.909 11.806 -16.665 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.503 9.132 -16.289 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.798 9.765 -15.292 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.049 9.870 -17.680 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.914 8.584 -18.038 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.678 7.431 -15.901 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -5.924 8.654 -15.756 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.881 7.257 -18.348 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -7.142 7.373 -15.052 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.564 6.399 -15.439 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.710 6.006 -18.837 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.884 5.628 -17.572 1.00 0.00 H new ATOM 388 N PHE A 28 -2.307 11.763 -14.480 1.00 0.00 N ATOM 389 CA PHE A 28 -1.391 12.272 -13.465 1.00 0.00 C ATOM 390 C PHE A 28 -1.719 11.687 -12.095 1.00 0.00 C ATOM 391 O PHE A 28 -2.863 11.742 -11.643 1.00 0.00 O ATOM 392 CB PHE A 28 -1.455 13.799 -13.410 1.00 0.00 C ATOM 393 CG PHE A 28 -1.387 14.452 -14.761 1.00 0.00 C ATOM 394 CD1 PHE A 28 -2.520 14.558 -15.551 1.00 0.00 C ATOM 395 CD2 PHE A 28 -0.191 14.961 -15.240 1.00 0.00 C ATOM 396 CE1 PHE A 28 -2.460 15.157 -16.795 1.00 0.00 C ATOM 397 CE2 PHE A 28 -0.125 15.562 -16.483 1.00 0.00 C ATOM 398 CZ PHE A 28 -1.261 15.661 -17.261 1.00 0.00 C ATOM 0 H PHE A 28 -3.207 11.448 -14.117 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.380 11.968 -13.737 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.380 14.098 -12.917 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.633 14.167 -12.796 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.461 14.168 -15.191 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.701 14.887 -14.635 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -3.350 15.231 -17.403 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.814 15.954 -16.845 1.00 0.00 H new ATOM 0 HZ PHE A 28 -1.213 16.131 -18.232 1.00 0.00 H new ATOM 408 N TRP A 29 -0.708 11.128 -11.440 1.00 0.00 N ATOM 409 CA TRP A 29 -0.888 10.532 -10.121 1.00 0.00 C ATOM 410 C TRP A 29 0.063 11.157 -9.106 1.00 0.00 C ATOM 411 O TRP A 29 1.213 11.462 -9.425 1.00 0.00 O ATOM 412 CB TRP A 29 -0.664 9.021 -10.186 1.00 0.00 C ATOM 413 CG TRP A 29 -1.703 8.300 -10.990 1.00 0.00 C ATOM 414 CD1 TRP A 29 -2.879 7.779 -10.531 1.00 0.00 C ATOM 415 CD2 TRP A 29 -1.658 8.018 -12.393 1.00 0.00 C ATOM 416 NE1 TRP A 29 -3.568 7.191 -11.564 1.00 0.00 N ATOM 417 CE2 TRP A 29 -2.840 7.325 -12.717 1.00 0.00 C ATOM 418 CE3 TRP A 29 -0.735 8.286 -13.407 1.00 0.00 C ATOM 419 CZ2 TRP A 29 -3.121 6.896 -14.012 1.00 0.00 C ATOM 420 CZ3 TRP A 29 -1.014 7.859 -14.692 1.00 0.00 C ATOM 421 CH2 TRP A 29 -2.199 7.172 -14.985 1.00 0.00 C ATOM 0 H TRP A 29 0.245 11.075 -11.800 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.911 10.726 -9.799 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.318 8.825 -10.616 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.655 8.618 -9.173 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.218 7.823 -9.506 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.474 6.730 -11.485 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.180 8.817 -13.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -4.033 6.365 -14.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.306 8.058 -15.483 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -2.389 6.854 -15.999 1.00 0.00 H new ATOM 432 N HIS A 30 -0.422 11.344 -7.883 1.00 0.00 N ATOM 433 CA HIS A 30 0.387 11.932 -6.821 1.00 0.00 C ATOM 434 C HIS A 30 1.539 11.007 -6.440 1.00 0.00 C ATOM 435 O HIS A 30 1.488 9.802 -6.688 1.00 0.00 O ATOM 436 CB HIS A 30 -0.477 12.222 -5.594 1.00 0.00 C ATOM 437 CG HIS A 30 -1.265 13.491 -5.703 1.00 0.00 C ATOM 438 ND1 HIS A 30 -2.642 13.518 -5.782 1.00 0.00 N ATOM 439 CD2 HIS A 30 -0.863 14.783 -5.744 1.00 0.00 C ATOM 440 CE1 HIS A 30 -3.051 14.771 -5.869 1.00 0.00 C ATOM 441 NE2 HIS A 30 -1.991 15.558 -5.847 1.00 0.00 N ATOM 0 H HIS A 30 -1.371 11.097 -7.603 1.00 0.00 H new ATOM 0 HA HIS A 30 0.804 12.868 -7.192 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.164 11.390 -5.438 1.00 0.00 H new ATOM 0 HB3 HIS A 30 0.163 12.276 -4.713 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -3.249 12.699 -5.774 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.156 15.138 -5.703 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -4.078 15.096 -5.945 1.00 0.00 H new ATOM 449 N ASP A 31 2.576 11.578 -5.838 1.00 0.00 N ATOM 450 CA ASP A 31 3.740 10.805 -5.422 1.00 0.00 C ATOM 451 C ASP A 31 3.338 9.694 -4.456 1.00 0.00 C ATOM 452 O ASP A 31 4.128 8.797 -4.161 1.00 0.00 O ATOM 453 CB ASP A 31 4.777 11.717 -4.766 1.00 0.00 C ATOM 454 CG ASP A 31 4.238 12.415 -3.534 1.00 0.00 C ATOM 455 OD1 ASP A 31 3.202 13.103 -3.647 1.00 0.00 O ATOM 456 OD2 ASP A 31 4.852 12.275 -2.455 1.00 0.00 O ATOM 0 H ASP A 31 2.634 12.574 -5.627 1.00 0.00 H new ATOM 0 HA ASP A 31 4.178 10.349 -6.310 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.653 11.128 -4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.108 12.464 -5.488 1.00 0.00 H new ATOM 461 N THR A 32 2.104 9.761 -3.966 1.00 0.00 N ATOM 462 CA THR A 32 1.598 8.764 -3.032 1.00 0.00 C ATOM 463 C THR A 32 0.477 7.943 -3.658 1.00 0.00 C ATOM 464 O THR A 32 0.102 6.890 -3.143 1.00 0.00 O ATOM 465 CB THR A 32 1.078 9.418 -1.738 1.00 0.00 C ATOM 466 OG1 THR A 32 0.168 10.477 -2.055 1.00 0.00 O ATOM 467 CG2 THR A 32 2.230 9.965 -0.908 1.00 0.00 C ATOM 0 H THR A 32 1.437 10.496 -4.201 1.00 0.00 H new ATOM 0 HA THR A 32 2.433 8.108 -2.788 1.00 0.00 H new ATOM 0 HB THR A 32 0.560 8.656 -1.155 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.159 10.886 -1.227 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.839 10.422 0.001 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.906 9.152 -0.643 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.772 10.713 -1.486 1.00 0.00 H new ATOM 475 N CYS A 33 -0.055 8.431 -4.774 1.00 0.00 N ATOM 476 CA CYS A 33 -1.134 7.743 -5.472 1.00 0.00 C ATOM 477 C CYS A 33 -0.580 6.799 -6.535 1.00 0.00 C ATOM 478 O CYS A 33 -1.118 5.715 -6.760 1.00 0.00 O ATOM 479 CB CYS A 33 -2.080 8.757 -6.118 1.00 0.00 C ATOM 480 SG CYS A 33 -3.153 9.633 -4.935 1.00 0.00 S ATOM 0 H CYS A 33 0.244 9.301 -5.214 1.00 0.00 H new ATOM 0 HA CYS A 33 -1.688 7.154 -4.741 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.489 9.490 -6.668 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -2.706 8.241 -6.846 1.00 0.00 H new ATOM 0 HG CYS A 33 -3.914 10.469 -5.576 1.00 0.00 H new ATOM 485 N PHE A 34 0.501 7.219 -7.185 1.00 0.00 N ATOM 486 CA PHE A 34 1.129 6.412 -8.225 1.00 0.00 C ATOM 487 C PHE A 34 1.799 5.179 -7.626 1.00 0.00 C ATOM 488 O PHE A 34 2.910 5.256 -7.101 1.00 0.00 O ATOM 489 CB PHE A 34 2.158 7.243 -8.993 1.00 0.00 C ATOM 490 CG PHE A 34 2.748 6.525 -10.173 1.00 0.00 C ATOM 491 CD1 PHE A 34 1.930 5.992 -11.156 1.00 0.00 C ATOM 492 CD2 PHE A 34 4.121 6.384 -10.300 1.00 0.00 C ATOM 493 CE1 PHE A 34 2.469 5.331 -12.243 1.00 0.00 C ATOM 494 CE2 PHE A 34 4.665 5.725 -11.386 1.00 0.00 C ATOM 495 CZ PHE A 34 3.839 5.197 -12.358 1.00 0.00 C ATOM 0 H PHE A 34 0.960 8.113 -7.010 1.00 0.00 H new ATOM 0 HA PHE A 34 0.351 6.083 -8.914 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.686 8.164 -9.337 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.961 7.530 -8.314 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.858 6.094 -11.072 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.773 6.793 -9.542 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.820 4.920 -13.002 1.00 0.00 H new ATOM 0 HE2 PHE A 34 5.737 5.623 -11.474 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.263 4.680 -13.206 1.00 0.00 H new ATOM 505 N ARG A 35 1.114 4.042 -7.707 1.00 0.00 N ATOM 506 CA ARG A 35 1.641 2.793 -7.172 1.00 0.00 C ATOM 507 C ARG A 35 1.027 1.593 -7.887 1.00 0.00 C ATOM 508 O ARG A 35 0.213 1.750 -8.798 1.00 0.00 O ATOM 509 CB ARG A 35 1.366 2.700 -5.670 1.00 0.00 C ATOM 510 CG ARG A 35 -0.071 2.333 -5.336 1.00 0.00 C ATOM 511 CD ARG A 35 -0.385 2.589 -3.870 1.00 0.00 C ATOM 512 NE ARG A 35 -1.815 2.778 -3.641 1.00 0.00 N ATOM 513 CZ ARG A 35 -2.314 3.380 -2.568 1.00 0.00 C ATOM 514 NH1 ARG A 35 -1.503 3.850 -1.630 1.00 0.00 N ATOM 515 NH2 ARG A 35 -3.627 3.514 -2.431 1.00 0.00 N ATOM 0 H ARG A 35 0.193 3.961 -8.138 1.00 0.00 H new ATOM 0 HA ARG A 35 2.718 2.782 -7.339 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.033 1.957 -5.232 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.605 3.657 -5.205 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.750 2.912 -5.961 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.243 1.282 -5.568 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.030 1.750 -3.271 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.156 3.473 -3.532 1.00 0.00 H new ATOM 0 HE ARG A 35 -2.466 2.428 -4.344 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.493 3.749 -1.732 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.889 4.312 -0.807 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -4.254 3.154 -3.150 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.009 3.977 -1.606 1.00 0.00 H new ATOM 529 N CYS A 36 1.423 0.395 -7.470 1.00 0.00 N ATOM 530 CA CYS A 36 0.914 -0.831 -8.070 1.00 0.00 C ATOM 531 C CYS A 36 -0.558 -1.035 -7.725 1.00 0.00 C ATOM 532 O CYS A 36 -1.108 -0.342 -6.870 1.00 0.00 O ATOM 533 CB CYS A 36 1.732 -2.034 -7.595 1.00 0.00 C ATOM 534 SG CYS A 36 1.672 -3.465 -8.721 1.00 0.00 S ATOM 0 H CYS A 36 2.096 0.248 -6.718 1.00 0.00 H new ATOM 0 HA CYS A 36 1.006 -0.742 -9.152 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.770 -1.727 -7.470 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.370 -2.342 -6.614 1.00 0.00 H new ATOM 0 HG CYS A 36 2.823 -4.070 -8.716 1.00 0.00 H new ATOM 539 N ALA A 37 -1.191 -1.991 -8.398 1.00 0.00 N ATOM 540 CA ALA A 37 -2.598 -2.288 -8.161 1.00 0.00 C ATOM 541 C ALA A 37 -2.766 -3.638 -7.471 1.00 0.00 C ATOM 542 O ALA A 37 -3.839 -3.955 -6.958 1.00 0.00 O ATOM 543 CB ALA A 37 -3.371 -2.264 -9.472 1.00 0.00 C ATOM 0 H ALA A 37 -0.751 -2.573 -9.111 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.999 -1.519 -7.501 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.420 -2.488 -9.280 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.288 -1.276 -9.926 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.959 -3.011 -10.151 1.00 0.00 H new ATOM 549 N LYS A 38 -1.699 -4.430 -7.464 1.00 0.00 N ATOM 550 CA LYS A 38 -1.727 -5.746 -6.837 1.00 0.00 C ATOM 551 C LYS A 38 -1.007 -5.724 -5.493 1.00 0.00 C ATOM 552 O LYS A 38 -1.456 -6.339 -4.526 1.00 0.00 O ATOM 553 CB LYS A 38 -1.082 -6.786 -7.757 1.00 0.00 C ATOM 554 CG LYS A 38 -1.679 -8.175 -7.617 1.00 0.00 C ATOM 555 CD LYS A 38 -1.199 -9.102 -8.722 1.00 0.00 C ATOM 556 CE LYS A 38 0.087 -9.814 -8.333 1.00 0.00 C ATOM 557 NZ LYS A 38 0.293 -11.059 -9.122 1.00 0.00 N ATOM 0 H LYS A 38 -0.804 -4.183 -7.886 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.769 -6.017 -6.666 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.185 -6.458 -8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.014 -6.835 -7.543 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.408 -8.592 -6.647 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.767 -8.109 -7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.972 -9.839 -8.942 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.037 -8.528 -9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.933 -9.144 -8.485 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.060 -10.058 -7.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.180 -11.514 -8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.502 -11.710 -8.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.345 -10.824 -10.134 1.00 0.00 H new ATOM 571 N CYS A 39 0.113 -5.011 -5.439 1.00 0.00 N ATOM 572 CA CYS A 39 0.896 -4.907 -4.214 1.00 0.00 C ATOM 573 C CYS A 39 0.815 -3.498 -3.634 1.00 0.00 C ATOM 574 O CYS A 39 1.227 -3.257 -2.498 1.00 0.00 O ATOM 575 CB CYS A 39 2.356 -5.277 -4.483 1.00 0.00 C ATOM 576 SG CYS A 39 3.244 -4.081 -5.532 1.00 0.00 S ATOM 0 H CYS A 39 0.499 -4.496 -6.231 1.00 0.00 H new ATOM 0 HA CYS A 39 0.480 -5.604 -3.487 1.00 0.00 H new ATOM 0 HB2 CYS A 39 2.878 -5.367 -3.531 1.00 0.00 H new ATOM 0 HB3 CYS A 39 2.390 -6.257 -4.959 1.00 0.00 H new ATOM 0 HG CYS A 39 2.716 -4.070 -6.720 1.00 0.00 H new ATOM 581 N LEU A 40 0.283 -2.570 -4.422 1.00 0.00 N ATOM 582 CA LEU A 40 0.147 -1.184 -3.988 1.00 0.00 C ATOM 583 C LEU A 40 1.509 -0.580 -3.661 1.00 0.00 C ATOM 584 O LEU A 40 1.655 0.158 -2.686 1.00 0.00 O ATOM 585 CB LEU A 40 -0.768 -1.098 -2.766 1.00 0.00 C ATOM 586 CG LEU A 40 -2.270 -1.161 -3.046 1.00 0.00 C ATOM 587 CD1 LEU A 40 -2.628 -2.459 -3.752 1.00 0.00 C ATOM 588 CD2 LEU A 40 -3.061 -1.018 -1.754 1.00 0.00 C ATOM 0 H LEU A 40 -0.061 -2.752 -5.365 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.296 -0.615 -4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.511 -1.911 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.555 -0.166 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.532 -0.331 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.701 -2.486 -3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.090 -2.519 -4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.351 -3.304 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.128 -1.065 -1.973 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.794 -1.826 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.828 -0.060 -1.289 1.00 0.00 H new ATOM 600 N HIS A 41 2.504 -0.897 -4.483 1.00 0.00 N ATOM 601 CA HIS A 41 3.855 -0.384 -4.282 1.00 0.00 C ATOM 602 C HIS A 41 4.136 0.786 -5.220 1.00 0.00 C ATOM 603 O HIS A 41 3.799 0.759 -6.404 1.00 0.00 O ATOM 604 CB HIS A 41 4.883 -1.492 -4.507 1.00 0.00 C ATOM 605 CG HIS A 41 6.292 -1.070 -4.220 1.00 0.00 C ATOM 606 ND1 HIS A 41 6.804 -0.979 -2.944 1.00 0.00 N ATOM 607 CD2 HIS A 41 7.297 -0.715 -5.054 1.00 0.00 C ATOM 608 CE1 HIS A 41 8.064 -0.584 -3.005 1.00 0.00 C ATOM 609 NE2 HIS A 41 8.387 -0.418 -4.274 1.00 0.00 N ATOM 0 H HIS A 41 2.401 -1.506 -5.294 1.00 0.00 H new ATOM 0 HA HIS A 41 3.934 -0.030 -3.254 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.632 -2.343 -3.875 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.818 -1.832 -5.540 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.250 -0.673 -6.132 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.718 -0.424 -2.160 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.299 -0.118 -4.619 1.00 0.00 H new ATOM 618 N PRO A 42 4.769 1.839 -4.681 1.00 0.00 N ATOM 619 CA PRO A 42 5.109 3.038 -5.453 1.00 0.00 C ATOM 620 C PRO A 42 6.209 2.776 -6.476 1.00 0.00 C ATOM 621 O PRO A 42 7.292 2.300 -6.130 1.00 0.00 O ATOM 622 CB PRO A 42 5.594 4.021 -4.385 1.00 0.00 C ATOM 623 CG PRO A 42 6.079 3.160 -3.270 1.00 0.00 C ATOM 624 CD PRO A 42 5.200 1.940 -3.277 1.00 0.00 C ATOM 0 HA PRO A 42 4.262 3.403 -6.034 1.00 0.00 H new ATOM 0 HB2 PRO A 42 6.390 4.660 -4.767 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.789 4.678 -4.056 1.00 0.00 H new ATOM 0 HG2 PRO A 42 7.125 2.888 -3.413 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.013 3.683 -2.316 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.744 1.051 -2.959 1.00 0.00 H new ATOM 0 HD3 PRO A 42 4.351 2.053 -2.603 1.00 0.00 H new ATOM 632 N LEU A 43 5.927 3.091 -7.735 1.00 0.00 N ATOM 633 CA LEU A 43 6.894 2.890 -8.809 1.00 0.00 C ATOM 634 C LEU A 43 7.574 4.203 -9.181 1.00 0.00 C ATOM 635 O LEU A 43 8.233 4.301 -10.216 1.00 0.00 O ATOM 636 CB LEU A 43 6.205 2.293 -10.037 1.00 0.00 C ATOM 637 CG LEU A 43 5.625 0.888 -9.866 1.00 0.00 C ATOM 638 CD1 LEU A 43 6.498 0.061 -8.935 1.00 0.00 C ATOM 639 CD2 LEU A 43 4.200 0.960 -9.339 1.00 0.00 C ATOM 0 H LEU A 43 5.037 3.487 -8.038 1.00 0.00 H new ATOM 0 HA LEU A 43 7.656 2.195 -8.454 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.399 2.963 -10.338 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.923 2.270 -10.856 1.00 0.00 H new ATOM 0 HG LEU A 43 5.606 0.402 -10.841 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.070 -0.936 -8.825 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.502 -0.019 -9.353 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.549 0.544 -7.959 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.803 -0.049 -9.224 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.194 1.465 -8.373 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.580 1.515 -10.042 1.00 0.00 H new ATOM 651 N ALA A 44 7.412 5.210 -8.329 1.00 0.00 N ATOM 652 CA ALA A 44 8.014 6.516 -8.567 1.00 0.00 C ATOM 653 C ALA A 44 9.479 6.380 -8.969 1.00 0.00 C ATOM 654 O ALA A 44 9.906 6.926 -9.986 1.00 0.00 O ATOM 655 CB ALA A 44 7.884 7.390 -7.328 1.00 0.00 C ATOM 0 H ALA A 44 6.869 5.146 -7.468 1.00 0.00 H new ATOM 0 HA ALA A 44 7.481 6.990 -9.391 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.338 8.362 -7.519 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.830 7.523 -7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.391 6.912 -6.490 1.00 0.00 H new ATOM 661 N ASN A 45 10.244 5.650 -8.164 1.00 0.00 N ATOM 662 CA ASN A 45 11.662 5.444 -8.437 1.00 0.00 C ATOM 663 C ASN A 45 11.893 4.108 -9.137 1.00 0.00 C ATOM 664 O ASN A 45 12.977 3.849 -9.659 1.00 0.00 O ATOM 665 CB ASN A 45 12.465 5.496 -7.136 1.00 0.00 C ATOM 666 CG ASN A 45 12.386 6.852 -6.462 1.00 0.00 C ATOM 667 OD1 ASN A 45 12.625 7.885 -7.089 1.00 0.00 O ATOM 668 ND2 ASN A 45 12.049 6.855 -5.177 1.00 0.00 N ATOM 0 H ASN A 45 9.906 5.191 -7.318 1.00 0.00 H new ATOM 0 HA ASN A 45 11.999 6.243 -9.097 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.095 4.732 -6.453 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.508 5.258 -7.346 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.980 7.737 -4.670 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.860 5.975 -4.697 1.00 0.00 H new ATOM 675 N GLU A 46 10.866 3.264 -9.143 1.00 0.00 N ATOM 676 CA GLU A 46 10.957 1.955 -9.779 1.00 0.00 C ATOM 677 C GLU A 46 10.247 1.955 -11.129 1.00 0.00 C ATOM 678 O GLU A 46 9.724 2.979 -11.569 1.00 0.00 O ATOM 679 CB GLU A 46 10.354 0.880 -8.872 1.00 0.00 C ATOM 680 CG GLU A 46 11.111 0.686 -7.570 1.00 0.00 C ATOM 681 CD GLU A 46 10.821 1.778 -6.558 1.00 0.00 C ATOM 682 OE1 GLU A 46 9.695 2.318 -6.574 1.00 0.00 O ATOM 683 OE2 GLU A 46 11.720 2.093 -5.751 1.00 0.00 O ATOM 0 H GLU A 46 9.962 3.463 -8.715 1.00 0.00 H new ATOM 0 HA GLU A 46 12.011 1.732 -9.943 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.321 1.145 -8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.329 -0.066 -9.412 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.847 -0.281 -7.141 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.181 0.662 -7.776 1.00 0.00 H new ATOM 690 N THR A 47 10.233 0.798 -11.784 1.00 0.00 N ATOM 691 CA THR A 47 9.590 0.663 -13.085 1.00 0.00 C ATOM 692 C THR A 47 8.116 0.302 -12.934 1.00 0.00 C ATOM 693 O THR A 47 7.708 -0.277 -11.928 1.00 0.00 O ATOM 694 CB THR A 47 10.284 -0.408 -13.947 1.00 0.00 C ATOM 695 OG1 THR A 47 10.451 -1.613 -13.191 1.00 0.00 O ATOM 696 CG2 THR A 47 11.639 0.083 -14.433 1.00 0.00 C ATOM 0 H THR A 47 10.660 -0.060 -11.434 1.00 0.00 H new ATOM 0 HA THR A 47 9.676 1.629 -13.582 1.00 0.00 H new ATOM 0 HB THR A 47 9.655 -0.608 -14.814 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.250 -2.087 -13.503 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.110 -0.690 -15.040 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.506 0.984 -15.032 1.00 0.00 H new ATOM 0 HG23 THR A 47 12.273 0.308 -13.576 1.00 0.00 H new ATOM 704 N PHE A 48 7.322 0.648 -13.942 1.00 0.00 N ATOM 705 CA PHE A 48 5.892 0.360 -13.921 1.00 0.00 C ATOM 706 C PHE A 48 5.425 -0.171 -15.273 1.00 0.00 C ATOM 707 O PHE A 48 6.091 0.018 -16.291 1.00 0.00 O ATOM 708 CB PHE A 48 5.102 1.618 -13.554 1.00 0.00 C ATOM 709 CG PHE A 48 5.288 2.748 -14.527 1.00 0.00 C ATOM 710 CD1 PHE A 48 6.449 3.504 -14.516 1.00 0.00 C ATOM 711 CD2 PHE A 48 4.302 3.054 -15.450 1.00 0.00 C ATOM 712 CE1 PHE A 48 6.624 4.544 -15.410 1.00 0.00 C ATOM 713 CE2 PHE A 48 4.471 4.092 -16.347 1.00 0.00 C ATOM 714 CZ PHE A 48 5.633 4.839 -16.326 1.00 0.00 C ATOM 0 H PHE A 48 7.644 1.128 -14.783 1.00 0.00 H new ATOM 0 HA PHE A 48 5.712 -0.406 -13.167 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.042 1.368 -13.498 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.405 1.951 -12.561 1.00 0.00 H new ATOM 0 HD1 PHE A 48 7.226 3.278 -13.801 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.391 2.475 -15.469 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.534 5.125 -15.392 1.00 0.00 H new ATOM 0 HE2 PHE A 48 3.695 4.319 -17.064 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.766 5.652 -17.024 1.00 0.00 H new ATOM 724 N VAL A 49 4.275 -0.838 -15.275 1.00 0.00 N ATOM 725 CA VAL A 49 3.717 -1.396 -16.501 1.00 0.00 C ATOM 726 C VAL A 49 2.221 -1.118 -16.601 1.00 0.00 C ATOM 727 O VAL A 49 1.460 -1.422 -15.683 1.00 0.00 O ATOM 728 CB VAL A 49 3.952 -2.916 -16.583 1.00 0.00 C ATOM 729 CG1 VAL A 49 3.228 -3.505 -17.785 1.00 0.00 C ATOM 730 CG2 VAL A 49 5.440 -3.223 -16.644 1.00 0.00 C ATOM 0 H VAL A 49 3.712 -1.005 -14.441 1.00 0.00 H new ATOM 0 HA VAL A 49 4.230 -0.911 -17.332 1.00 0.00 H new ATOM 0 HB VAL A 49 3.546 -3.377 -15.683 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.406 -4.580 -17.826 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.158 -3.318 -17.693 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.601 -3.040 -18.698 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.587 -4.302 -16.702 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.873 -2.750 -17.525 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.928 -2.838 -15.749 1.00 0.00 H new ATOM 740 N ALA A 50 1.806 -0.538 -17.722 1.00 0.00 N ATOM 741 CA ALA A 50 0.401 -0.221 -17.944 1.00 0.00 C ATOM 742 C ALA A 50 -0.250 -1.234 -18.879 1.00 0.00 C ATOM 743 O ALA A 50 0.035 -1.262 -20.077 1.00 0.00 O ATOM 744 CB ALA A 50 0.260 1.186 -18.506 1.00 0.00 C ATOM 0 H ALA A 50 2.423 -0.278 -18.491 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.113 -0.270 -16.984 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.795 1.409 -18.667 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.679 1.903 -17.801 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.794 1.254 -19.454 1.00 0.00 H new ATOM 750 N LYS A 51 -1.124 -2.067 -18.325 1.00 0.00 N ATOM 751 CA LYS A 51 -1.817 -3.083 -19.109 1.00 0.00 C ATOM 752 C LYS A 51 -3.277 -3.197 -18.683 1.00 0.00 C ATOM 753 O LYS A 51 -3.614 -2.970 -17.521 1.00 0.00 O ATOM 754 CB LYS A 51 -1.122 -4.438 -18.954 1.00 0.00 C ATOM 755 CG LYS A 51 -1.176 -4.991 -17.540 1.00 0.00 C ATOM 756 CD LYS A 51 -0.404 -6.294 -17.421 1.00 0.00 C ATOM 757 CE LYS A 51 1.097 -6.052 -17.394 1.00 0.00 C ATOM 758 NZ LYS A 51 1.865 -7.327 -17.429 1.00 0.00 N ATOM 0 H LYS A 51 -1.370 -2.059 -17.335 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.785 -2.783 -20.156 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.585 -5.154 -19.633 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.080 -4.339 -19.257 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.764 -4.258 -16.846 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.214 -5.155 -17.252 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.706 -6.815 -16.513 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.654 -6.944 -18.260 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.381 -5.434 -18.246 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.359 -5.495 -16.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.883 -7.121 -17.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.589 -7.921 -16.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.661 -7.831 -18.315 1.00 0.00 H new ATOM 772 N ASP A 52 -4.139 -3.551 -19.630 1.00 0.00 N ATOM 773 CA ASP A 52 -5.563 -3.698 -19.353 1.00 0.00 C ATOM 774 C ASP A 52 -6.064 -2.560 -18.469 1.00 0.00 C ATOM 775 O ASP A 52 -6.827 -2.780 -17.529 1.00 0.00 O ATOM 776 CB ASP A 52 -5.837 -5.043 -18.678 1.00 0.00 C ATOM 777 CG ASP A 52 -5.903 -6.186 -19.671 1.00 0.00 C ATOM 778 OD1 ASP A 52 -6.793 -6.161 -20.547 1.00 0.00 O ATOM 779 OD2 ASP A 52 -5.064 -7.106 -19.573 1.00 0.00 O ATOM 0 H ASP A 52 -3.876 -3.742 -20.597 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.099 -3.661 -20.302 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.054 -5.245 -17.947 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.778 -4.986 -18.130 1.00 0.00 H new ATOM 784 N ASN A 53 -5.629 -1.342 -18.778 1.00 0.00 N ATOM 785 CA ASN A 53 -6.032 -0.170 -18.010 1.00 0.00 C ATOM 786 C ASN A 53 -5.773 -0.378 -16.521 1.00 0.00 C ATOM 787 O ASN A 53 -6.581 0.013 -15.678 1.00 0.00 O ATOM 788 CB ASN A 53 -7.514 0.134 -18.244 1.00 0.00 C ATOM 789 CG ASN A 53 -7.738 1.028 -19.448 1.00 0.00 C ATOM 790 OD1 ASN A 53 -6.840 1.221 -20.268 1.00 0.00 O ATOM 791 ND2 ASN A 53 -8.940 1.581 -19.559 1.00 0.00 N ATOM 0 H ASN A 53 -4.998 -1.142 -19.554 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.436 0.677 -18.349 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.056 -0.801 -18.384 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.928 0.613 -17.357 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.149 2.193 -20.348 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.655 1.393 -18.856 1.00 0.00 H new ATOM 798 N LYS A 54 -4.640 -0.996 -16.205 1.00 0.00 N ATOM 799 CA LYS A 54 -4.272 -1.256 -14.818 1.00 0.00 C ATOM 800 C LYS A 54 -2.762 -1.148 -14.627 1.00 0.00 C ATOM 801 O LYS A 54 -1.990 -1.789 -15.341 1.00 0.00 O ATOM 802 CB LYS A 54 -4.753 -2.645 -14.392 1.00 0.00 C ATOM 803 CG LYS A 54 -6.212 -2.680 -13.972 1.00 0.00 C ATOM 804 CD LYS A 54 -6.393 -2.193 -12.544 1.00 0.00 C ATOM 805 CE LYS A 54 -7.863 -2.146 -12.153 1.00 0.00 C ATOM 806 NZ LYS A 54 -8.043 -2.136 -10.675 1.00 0.00 N ATOM 0 H LYS A 54 -3.961 -1.326 -16.891 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.755 -0.505 -14.193 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -4.604 -3.341 -15.218 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.137 -2.996 -13.564 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.801 -2.059 -14.647 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.593 -3.697 -14.062 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.855 -2.852 -11.863 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.955 -1.200 -12.439 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.325 -1.256 -12.581 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -8.379 -3.008 -12.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -9.058 -2.104 -10.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.625 -2.997 -10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.572 -1.300 -10.274 1.00 0.00 H new ATOM 820 N ILE A 55 -2.349 -0.337 -13.659 1.00 0.00 N ATOM 821 CA ILE A 55 -0.933 -0.148 -13.373 1.00 0.00 C ATOM 822 C ILE A 55 -0.385 -1.295 -12.530 1.00 0.00 C ATOM 823 O ILE A 55 -0.987 -1.688 -11.531 1.00 0.00 O ATOM 824 CB ILE A 55 -0.678 1.181 -12.639 1.00 0.00 C ATOM 825 CG1 ILE A 55 -1.239 2.352 -13.449 1.00 0.00 C ATOM 826 CG2 ILE A 55 0.810 1.370 -12.386 1.00 0.00 C ATOM 827 CD1 ILE A 55 -0.499 2.599 -14.745 1.00 0.00 C ATOM 0 H ILE A 55 -2.976 0.200 -13.059 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.418 -0.127 -14.333 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.189 1.151 -11.677 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.289 2.160 -13.670 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.201 3.256 -12.840 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.974 2.314 -11.866 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.182 0.549 -11.773 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.342 1.382 -13.337 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.951 3.443 -15.267 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.546 2.822 -14.530 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.559 1.710 -15.373 1.00 0.00 H new ATOM 839 N LEU A 56 0.762 -1.827 -12.939 1.00 0.00 N ATOM 840 CA LEU A 56 1.394 -2.928 -12.220 1.00 0.00 C ATOM 841 C LEU A 56 2.912 -2.781 -12.224 1.00 0.00 C ATOM 842 O LEU A 56 3.472 -2.037 -13.030 1.00 0.00 O ATOM 843 CB LEU A 56 0.998 -4.266 -12.846 1.00 0.00 C ATOM 844 CG LEU A 56 -0.481 -4.642 -12.746 1.00 0.00 C ATOM 845 CD1 LEU A 56 -0.815 -5.757 -13.725 1.00 0.00 C ATOM 846 CD2 LEU A 56 -0.831 -5.056 -11.324 1.00 0.00 C ATOM 0 H LEU A 56 1.273 -1.514 -13.764 1.00 0.00 H new ATOM 0 HA LEU A 56 1.048 -2.901 -11.187 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.277 -4.248 -13.899 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.585 -5.053 -12.374 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.077 -3.767 -13.006 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.871 -6.012 -13.640 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.602 -5.425 -14.741 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.211 -6.635 -13.497 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.887 -5.320 -11.271 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.227 -5.917 -11.037 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.630 -4.228 -10.644 1.00 0.00 H new ATOM 858 N CYS A 57 3.573 -3.496 -11.320 1.00 0.00 N ATOM 859 CA CYS A 57 5.026 -3.448 -11.220 1.00 0.00 C ATOM 860 C CYS A 57 5.654 -4.711 -11.802 1.00 0.00 C ATOM 861 O CYS A 57 4.951 -5.619 -12.243 1.00 0.00 O ATOM 862 CB CYS A 57 5.452 -3.281 -9.760 1.00 0.00 C ATOM 863 SG CYS A 57 5.332 -4.806 -8.770 1.00 0.00 S ATOM 0 H CYS A 57 3.125 -4.116 -10.646 1.00 0.00 H new ATOM 0 HA CYS A 57 5.376 -2.591 -11.795 1.00 0.00 H new ATOM 0 HB2 CYS A 57 6.481 -2.923 -9.732 1.00 0.00 H new ATOM 0 HB3 CYS A 57 4.834 -2.511 -9.298 1.00 0.00 H new ATOM 0 HG CYS A 57 4.642 -4.571 -7.694 1.00 0.00 H new ATOM 868 N ASN A 58 6.983 -4.760 -11.801 1.00 0.00 N ATOM 869 CA ASN A 58 7.706 -5.910 -12.330 1.00 0.00 C ATOM 870 C ASN A 58 7.538 -7.123 -11.419 1.00 0.00 C ATOM 871 O ASN A 58 7.351 -8.246 -11.890 1.00 0.00 O ATOM 872 CB ASN A 58 9.191 -5.578 -12.487 1.00 0.00 C ATOM 873 CG ASN A 58 9.495 -4.901 -13.810 1.00 0.00 C ATOM 874 OD1 ASN A 58 8.603 -4.689 -14.630 1.00 0.00 O ATOM 875 ND2 ASN A 58 10.761 -4.560 -14.022 1.00 0.00 N ATOM 0 H ASN A 58 7.580 -4.016 -11.440 1.00 0.00 H new ATOM 0 HA ASN A 58 7.290 -6.151 -13.308 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.504 -4.929 -11.669 1.00 0.00 H new ATOM 0 HB3 ASN A 58 9.776 -6.494 -12.408 1.00 0.00 H new ATOM 0 HD21 ASN A 58 11.027 -4.102 -14.894 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.468 -4.756 -13.313 1.00 0.00 H new ATOM 882 N LYS A 59 7.606 -6.889 -10.113 1.00 0.00 N ATOM 883 CA LYS A 59 7.460 -7.961 -9.135 1.00 0.00 C ATOM 884 C LYS A 59 6.138 -8.696 -9.326 1.00 0.00 C ATOM 885 O LYS A 59 6.034 -9.891 -9.050 1.00 0.00 O ATOM 886 CB LYS A 59 7.542 -7.397 -7.715 1.00 0.00 C ATOM 887 CG LYS A 59 8.845 -6.672 -7.422 1.00 0.00 C ATOM 888 CD LYS A 59 8.649 -5.563 -6.403 1.00 0.00 C ATOM 889 CE LYS A 59 8.686 -6.100 -4.980 1.00 0.00 C ATOM 890 NZ LYS A 59 10.057 -6.520 -4.581 1.00 0.00 N ATOM 0 H LYS A 59 7.761 -5.966 -9.707 1.00 0.00 H new ATOM 0 HA LYS A 59 8.274 -8.670 -9.286 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.710 -6.710 -7.557 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.421 -8.212 -7.002 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.582 -7.383 -7.050 1.00 0.00 H new ATOM 0 HG3 LYS A 59 9.245 -6.253 -8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.427 -4.810 -6.529 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.694 -5.068 -6.581 1.00 0.00 H new ATOM 0 HE2 LYS A 59 8.327 -5.334 -4.293 1.00 0.00 H new ATOM 0 HE3 LYS A 59 8.007 -6.948 -4.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.116 -6.571 -3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.266 -7.455 -4.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.749 -5.828 -4.933 1.00 0.00 H new ATOM 904 N CYS A 60 5.128 -7.974 -9.802 1.00 0.00 N ATOM 905 CA CYS A 60 3.812 -8.557 -10.031 1.00 0.00 C ATOM 906 C CYS A 60 3.688 -9.074 -11.461 1.00 0.00 C ATOM 907 O CYS A 60 3.523 -10.273 -11.689 1.00 0.00 O ATOM 908 CB CYS A 60 2.718 -7.524 -9.753 1.00 0.00 C ATOM 909 SG CYS A 60 2.516 -7.110 -7.991 1.00 0.00 S ATOM 0 H CYS A 60 5.197 -6.984 -10.036 1.00 0.00 H new ATOM 0 HA CYS A 60 3.690 -9.398 -9.348 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.945 -6.612 -10.306 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.771 -7.902 -10.137 1.00 0.00 H new ATOM 0 HG CYS A 60 2.185 -5.858 -7.875 1.00 0.00 H new ATOM 914 N THR A 61 3.768 -8.160 -12.424 1.00 0.00 N ATOM 915 CA THR A 61 3.663 -8.522 -13.832 1.00 0.00 C ATOM 916 C THR A 61 4.455 -9.789 -14.134 1.00 0.00 C ATOM 917 O THR A 61 4.066 -10.589 -14.985 1.00 0.00 O ATOM 918 CB THR A 61 4.167 -7.386 -14.743 1.00 0.00 C ATOM 919 OG1 THR A 61 5.465 -6.957 -14.318 1.00 0.00 O ATOM 920 CG2 THR A 61 3.205 -6.208 -14.721 1.00 0.00 C ATOM 0 H THR A 61 3.905 -7.164 -12.254 1.00 0.00 H new ATOM 0 HA THR A 61 2.607 -8.700 -14.035 1.00 0.00 H new ATOM 0 HB THR A 61 4.227 -7.767 -15.763 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.377 -6.164 -13.749 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.582 -5.418 -15.371 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.225 -6.532 -15.073 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.118 -5.829 -13.703 1.00 0.00 H new ATOM 1004 N PRO A 67 -0.619 -18.095 -8.379 1.00 0.00 N ATOM 1005 CA PRO A 67 -0.993 -16.810 -7.779 1.00 0.00 C ATOM 1006 C PRO A 67 -0.431 -16.643 -6.372 1.00 0.00 C ATOM 1007 O PRO A 67 0.052 -17.600 -5.767 1.00 0.00 O ATOM 1008 CB PRO A 67 -2.522 -16.868 -7.741 1.00 0.00 C ATOM 1009 CG PRO A 67 -2.846 -18.322 -7.710 1.00 0.00 C ATOM 1010 CD PRO A 67 -1.771 -19.002 -8.513 1.00 0.00 C ATOM 0 HA PRO A 67 -0.599 -15.966 -8.345 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.916 -16.356 -6.863 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.958 -16.384 -8.615 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -2.864 -18.696 -6.686 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -3.831 -18.512 -8.137 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.547 -19.996 -8.125 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -2.066 -19.126 -9.555 1.00 0.00 H new ATOM 1018 N LYS A 68 -0.497 -15.421 -5.855 1.00 0.00 N ATOM 1019 CA LYS A 68 0.004 -15.127 -4.517 1.00 0.00 C ATOM 1020 C LYS A 68 -1.086 -14.500 -3.654 1.00 0.00 C ATOM 1021 O LYS A 68 -2.028 -13.895 -4.167 1.00 0.00 O ATOM 1022 CB LYS A 68 1.210 -14.188 -4.596 1.00 0.00 C ATOM 1023 CG LYS A 68 0.882 -12.825 -5.181 1.00 0.00 C ATOM 1024 CD LYS A 68 0.440 -11.848 -4.104 1.00 0.00 C ATOM 1025 CE LYS A 68 0.418 -10.419 -4.624 1.00 0.00 C ATOM 1026 NZ LYS A 68 0.422 -9.425 -3.515 1.00 0.00 N ATOM 0 H LYS A 68 -0.893 -14.617 -6.343 1.00 0.00 H new ATOM 0 HA LYS A 68 0.312 -16.066 -4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.623 -14.055 -3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.986 -14.657 -5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.757 -12.429 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.093 -12.928 -5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.553 -12.122 -3.748 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.115 -11.916 -3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.284 -10.252 -5.264 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.468 -10.271 -5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.407 -8.463 -3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.418 -9.567 -2.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.280 -9.549 -2.941 1.00 0.00 H new ATOM 1040 N CYS A 69 -0.952 -14.647 -2.340 1.00 0.00 N ATOM 1041 CA CYS A 69 -1.924 -14.095 -1.405 1.00 0.00 C ATOM 1042 C CYS A 69 -1.437 -12.765 -0.836 1.00 0.00 C ATOM 1043 O CYS A 69 -0.263 -12.416 -0.961 1.00 0.00 O ATOM 1044 CB CYS A 69 -2.187 -15.083 -0.267 1.00 0.00 C ATOM 1045 SG CYS A 69 -3.620 -14.656 0.773 1.00 0.00 S ATOM 0 H CYS A 69 -0.179 -15.144 -1.899 1.00 0.00 H new ATOM 0 HA CYS A 69 -2.853 -13.920 -1.947 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.342 -16.075 -0.690 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.299 -15.140 0.363 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.996 -15.703 1.445 1.00 0.00 H new ATOM 1050 N LYS A 70 -2.348 -12.026 -0.211 1.00 0.00 N ATOM 1051 CA LYS A 70 -2.014 -10.736 0.379 1.00 0.00 C ATOM 1052 C LYS A 70 -2.172 -10.773 1.895 1.00 0.00 C ATOM 1053 O LYS A 70 -1.574 -9.972 2.612 1.00 0.00 O ATOM 1054 CB LYS A 70 -2.901 -9.637 -0.211 1.00 0.00 C ATOM 1055 CG LYS A 70 -2.391 -8.232 0.060 1.00 0.00 C ATOM 1056 CD LYS A 70 -1.202 -7.891 -0.824 1.00 0.00 C ATOM 1057 CE LYS A 70 -0.416 -6.712 -0.270 1.00 0.00 C ATOM 1058 NZ LYS A 70 0.273 -7.056 1.004 1.00 0.00 N ATOM 0 H LYS A 70 -3.324 -12.300 -0.100 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.972 -10.517 0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.980 -9.784 -1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -3.907 -9.735 0.198 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.192 -7.513 -0.113 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.104 -8.144 1.108 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.548 -8.759 -0.907 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.550 -7.657 -1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 70 0.320 -6.388 -1.006 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.090 -5.872 -0.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.056 -6.391 1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.403 -6.993 1.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 0.648 -8.024 0.946 1.00 0.00 H new ATOM 1072 N GLY A 71 -2.983 -11.710 2.378 1.00 0.00 N ATOM 1073 CA GLY A 71 -3.205 -11.834 3.807 1.00 0.00 C ATOM 1074 C GLY A 71 -2.007 -12.416 4.531 1.00 0.00 C ATOM 1075 O GLY A 71 -1.679 -11.997 5.641 1.00 0.00 O ATOM 0 H GLY A 71 -3.490 -12.385 1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.435 -10.853 4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.075 -12.467 3.983 1.00 0.00 H new ATOM 1079 N CYS A 72 -1.351 -13.386 3.902 1.00 0.00 N ATOM 1080 CA CYS A 72 -0.184 -14.029 4.494 1.00 0.00 C ATOM 1081 C CYS A 72 1.029 -13.903 3.577 1.00 0.00 C ATOM 1082 O CYS A 72 2.170 -14.068 4.011 1.00 0.00 O ATOM 1083 CB CYS A 72 -0.475 -15.505 4.773 1.00 0.00 C ATOM 1084 SG CYS A 72 -1.167 -16.408 3.350 1.00 0.00 S ATOM 0 H CYS A 72 -1.608 -13.744 2.982 1.00 0.00 H new ATOM 0 HA CYS A 72 0.039 -13.526 5.435 1.00 0.00 H new ATOM 0 HB2 CYS A 72 0.448 -15.993 5.086 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.172 -15.575 5.608 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.439 -16.602 3.536 1.00 0.00 H new ATOM 1089 N PHE A 73 0.776 -13.609 2.306 1.00 0.00 N ATOM 1090 CA PHE A 73 1.846 -13.461 1.327 1.00 0.00 C ATOM 1091 C PHE A 73 2.459 -14.815 0.983 1.00 0.00 C ATOM 1092 O PHE A 73 3.678 -14.987 1.026 1.00 0.00 O ATOM 1093 CB PHE A 73 2.927 -12.519 1.860 1.00 0.00 C ATOM 1094 CG PHE A 73 3.812 -11.952 0.787 1.00 0.00 C ATOM 1095 CD1 PHE A 73 3.329 -11.000 -0.096 1.00 0.00 C ATOM 1096 CD2 PHE A 73 5.126 -12.372 0.660 1.00 0.00 C ATOM 1097 CE1 PHE A 73 4.141 -10.477 -1.085 1.00 0.00 C ATOM 1098 CE2 PHE A 73 5.943 -11.853 -0.327 1.00 0.00 C ATOM 1099 CZ PHE A 73 5.449 -10.903 -1.200 1.00 0.00 C ATOM 0 H PHE A 73 -0.162 -13.468 1.930 1.00 0.00 H new ATOM 0 HA PHE A 73 1.418 -13.035 0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.450 -11.699 2.397 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.543 -13.057 2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.307 -10.663 -0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.517 -13.114 1.340 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.752 -9.736 -1.767 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.965 -12.190 -0.415 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.085 -10.494 -1.971 1.00 0.00 H new ATOM 1109 N LYS A 74 1.606 -15.774 0.641 1.00 0.00 N ATOM 1110 CA LYS A 74 2.062 -17.114 0.289 1.00 0.00 C ATOM 1111 C LYS A 74 1.443 -17.570 -1.028 1.00 0.00 C ATOM 1112 O LYS A 74 0.391 -17.077 -1.434 1.00 0.00 O ATOM 1113 CB LYS A 74 1.707 -18.104 1.401 1.00 0.00 C ATOM 1114 CG LYS A 74 2.480 -17.875 2.688 1.00 0.00 C ATOM 1115 CD LYS A 74 3.794 -18.638 2.694 1.00 0.00 C ATOM 1116 CE LYS A 74 4.806 -17.998 3.631 1.00 0.00 C ATOM 1117 NZ LYS A 74 6.097 -18.741 3.646 1.00 0.00 N ATOM 0 H LYS A 74 0.595 -15.649 0.600 1.00 0.00 H new ATOM 0 HA LYS A 74 3.145 -17.083 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.640 -18.035 1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 74 1.897 -19.118 1.048 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.676 -16.810 2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.873 -18.187 3.538 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.616 -19.669 2.999 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.202 -18.670 1.684 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.984 -16.967 3.324 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.395 -17.964 4.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.759 -18.273 4.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.932 -19.718 3.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.502 -18.752 2.688 1.00 0.00 H new ATOM 1131 N ALA A 75 2.102 -18.515 -1.691 1.00 0.00 N ATOM 1132 CA ALA A 75 1.614 -19.039 -2.960 1.00 0.00 C ATOM 1133 C ALA A 75 0.271 -19.739 -2.785 1.00 0.00 C ATOM 1134 O ALA A 75 0.127 -20.627 -1.944 1.00 0.00 O ATOM 1135 CB ALA A 75 2.634 -19.994 -3.564 1.00 0.00 C ATOM 0 H ALA A 75 2.975 -18.933 -1.370 1.00 0.00 H new ATOM 0 HA ALA A 75 1.471 -18.199 -3.640 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.256 -20.378 -4.512 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.571 -19.465 -3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.806 -20.824 -2.879 1.00 0.00 H new ATOM 1141 N ILE A 76 -0.711 -19.334 -3.584 1.00 0.00 N ATOM 1142 CA ILE A 76 -2.042 -19.923 -3.517 1.00 0.00 C ATOM 1143 C ILE A 76 -2.205 -21.034 -4.549 1.00 0.00 C ATOM 1144 O ILE A 76 -1.762 -20.905 -5.691 1.00 0.00 O ATOM 1145 CB ILE A 76 -3.138 -18.864 -3.742 1.00 0.00 C ATOM 1146 CG1 ILE A 76 -3.039 -17.764 -2.684 1.00 0.00 C ATOM 1147 CG2 ILE A 76 -4.514 -19.512 -3.713 1.00 0.00 C ATOM 1148 CD1 ILE A 76 -4.123 -16.715 -2.800 1.00 0.00 C ATOM 0 H ILE A 76 -0.609 -18.600 -4.285 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.152 -20.341 -2.516 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.991 -18.413 -4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.088 -18.218 -1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.066 -17.280 -2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -5.278 -18.751 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.579 -20.263 -4.500 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.672 -19.987 -2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.991 -15.967 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.061 -16.234 -3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.099 -17.187 -2.689 1.00 0.00 H new ATOM 1160 N VAL A 77 -2.845 -22.125 -4.140 1.00 0.00 N ATOM 1161 CA VAL A 77 -3.069 -23.258 -5.030 1.00 0.00 C ATOM 1162 C VAL A 77 -4.506 -23.282 -5.537 1.00 0.00 C ATOM 1163 O VAL A 77 -5.425 -22.838 -4.850 1.00 0.00 O ATOM 1164 CB VAL A 77 -2.762 -24.593 -4.326 1.00 0.00 C ATOM 1165 CG1 VAL A 77 -2.773 -25.739 -5.327 1.00 0.00 C ATOM 1166 CG2 VAL A 77 -1.425 -24.519 -3.604 1.00 0.00 C ATOM 0 H VAL A 77 -3.217 -22.248 -3.198 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.391 -23.137 -5.875 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.539 -24.781 -3.585 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.554 -26.674 -4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.755 -25.804 -5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.017 -25.561 -6.092 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.224 -25.471 -3.112 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.634 -24.308 -4.324 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.458 -23.725 -2.858 1.00 0.00 H new ATOM 1176 N ALA A 78 -4.693 -23.806 -6.744 1.00 0.00 N ATOM 1177 CA ALA A 78 -6.019 -23.891 -7.343 1.00 0.00 C ATOM 1178 C ALA A 78 -6.954 -24.740 -6.488 1.00 0.00 C ATOM 1179 O ALA A 78 -7.986 -24.262 -6.018 1.00 0.00 O ATOM 1180 CB ALA A 78 -5.927 -24.459 -8.752 1.00 0.00 C ATOM 0 H ALA A 78 -3.943 -24.178 -7.326 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.432 -22.884 -7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.925 -24.517 -9.187 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -5.301 -23.811 -9.365 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.489 -25.457 -8.714 1.00 0.00 H new ATOM 1186 N GLY A 79 -6.587 -26.002 -6.292 1.00 0.00 N ATOM 1187 CA GLY A 79 -7.404 -26.897 -5.494 1.00 0.00 C ATOM 1188 C GLY A 79 -7.863 -26.262 -4.197 1.00 0.00 C ATOM 1189 O GLY A 79 -8.985 -26.494 -3.747 1.00 0.00 O ATOM 0 H GLY A 79 -5.738 -26.421 -6.672 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -8.275 -27.202 -6.074 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -6.836 -27.801 -5.272 1.00 0.00 H new ATOM 1193 N ASP A 80 -6.993 -25.461 -3.592 1.00 0.00 N ATOM 1194 CA ASP A 80 -7.314 -24.791 -2.338 1.00 0.00 C ATOM 1195 C ASP A 80 -8.352 -23.694 -2.557 1.00 0.00 C ATOM 1196 O ASP A 80 -8.586 -23.267 -3.687 1.00 0.00 O ATOM 1197 CB ASP A 80 -6.050 -24.197 -1.714 1.00 0.00 C ATOM 1198 CG ASP A 80 -5.336 -25.179 -0.806 1.00 0.00 C ATOM 1199 OD1 ASP A 80 -5.470 -26.400 -1.030 1.00 0.00 O ATOM 1200 OD2 ASP A 80 -4.642 -24.726 0.128 1.00 0.00 O ATOM 0 H ASP A 80 -6.059 -25.260 -3.950 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.733 -25.531 -1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.372 -23.880 -2.506 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.314 -23.306 -1.145 1.00 0.00 H new ATOM 1205 N GLN A 81 -8.970 -23.245 -1.470 1.00 0.00 N ATOM 1206 CA GLN A 81 -9.984 -22.199 -1.545 1.00 0.00 C ATOM 1207 C GLN A 81 -9.343 -20.816 -1.504 1.00 0.00 C ATOM 1208 O GLN A 81 -8.398 -20.581 -0.752 1.00 0.00 O ATOM 1209 CB GLN A 81 -10.983 -22.346 -0.397 1.00 0.00 C ATOM 1210 CG GLN A 81 -10.355 -22.196 0.980 1.00 0.00 C ATOM 1211 CD GLN A 81 -9.654 -23.459 1.442 1.00 0.00 C ATOM 1212 OE1 GLN A 81 -10.020 -24.566 1.046 1.00 0.00 O ATOM 1213 NE2 GLN A 81 -8.640 -23.299 2.284 1.00 0.00 N ATOM 0 H GLN A 81 -8.787 -23.589 -0.527 1.00 0.00 H new ATOM 0 HA GLN A 81 -10.512 -22.306 -2.493 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.768 -21.599 -0.512 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -11.460 -23.324 -0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.640 -21.374 0.961 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -11.128 -21.930 1.701 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.371 -22.363 2.586 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.130 -24.112 2.629 1.00 0.00 H new ATOM 1222 N ASN A 82 -9.864 -19.904 -2.319 1.00 0.00 N ATOM 1223 CA ASN A 82 -9.342 -18.543 -2.376 1.00 0.00 C ATOM 1224 C ASN A 82 -10.455 -17.546 -2.682 1.00 0.00 C ATOM 1225 O ASN A 82 -11.537 -17.925 -3.130 1.00 0.00 O ATOM 1226 CB ASN A 82 -8.243 -18.441 -3.436 1.00 0.00 C ATOM 1227 CG ASN A 82 -8.404 -19.472 -4.536 1.00 0.00 C ATOM 1228 OD1 ASN A 82 -9.383 -19.454 -5.282 1.00 0.00 O ATOM 1229 ND2 ASN A 82 -7.439 -20.378 -4.642 1.00 0.00 N ATOM 0 H ASN A 82 -10.646 -20.083 -2.948 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.920 -18.300 -1.401 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -8.255 -17.442 -3.873 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -7.270 -18.569 -2.961 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -7.491 -21.097 -5.364 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.645 -20.355 -4.002 1.00 0.00 H new ATOM 1236 N VAL A 83 -10.181 -16.268 -2.438 1.00 0.00 N ATOM 1237 CA VAL A 83 -11.158 -15.215 -2.690 1.00 0.00 C ATOM 1238 C VAL A 83 -10.546 -14.082 -3.505 1.00 0.00 C ATOM 1239 O VAL A 83 -9.760 -13.288 -2.990 1.00 0.00 O ATOM 1240 CB VAL A 83 -11.717 -14.643 -1.374 1.00 0.00 C ATOM 1241 CG1 VAL A 83 -12.834 -13.650 -1.655 1.00 0.00 C ATOM 1242 CG2 VAL A 83 -12.205 -15.765 -0.470 1.00 0.00 C ATOM 0 H VAL A 83 -9.291 -15.937 -2.066 1.00 0.00 H new ATOM 0 HA VAL A 83 -11.973 -15.667 -3.256 1.00 0.00 H new ATOM 0 HB VAL A 83 -10.915 -14.115 -0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.216 -13.257 -0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.448 -12.830 -2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.639 -14.151 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.597 -15.342 0.455 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.993 -16.323 -0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.376 -16.434 -0.241 1.00 0.00 H new ATOM 1252 N GLU A 84 -10.915 -14.012 -4.781 1.00 0.00 N ATOM 1253 CA GLU A 84 -10.401 -12.975 -5.668 1.00 0.00 C ATOM 1254 C GLU A 84 -11.258 -11.714 -5.584 1.00 0.00 C ATOM 1255 O GLU A 84 -12.486 -11.781 -5.632 1.00 0.00 O ATOM 1256 CB GLU A 84 -10.360 -13.481 -7.111 1.00 0.00 C ATOM 1257 CG GLU A 84 -8.952 -13.656 -7.655 1.00 0.00 C ATOM 1258 CD GLU A 84 -8.917 -13.727 -9.169 1.00 0.00 C ATOM 1259 OE1 GLU A 84 -9.061 -12.670 -9.817 1.00 0.00 O ATOM 1260 OE2 GLU A 84 -8.744 -14.842 -9.706 1.00 0.00 O ATOM 0 H GLU A 84 -11.567 -14.660 -5.223 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.389 -12.728 -5.348 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.883 -14.435 -7.167 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.902 -12.782 -7.748 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.331 -12.826 -7.319 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.517 -14.566 -7.242 1.00 0.00 H new ATOM 1267 N TYR A 85 -10.600 -10.567 -5.457 1.00 0.00 N ATOM 1268 CA TYR A 85 -11.300 -9.292 -5.363 1.00 0.00 C ATOM 1269 C TYR A 85 -10.476 -8.171 -5.990 1.00 0.00 C ATOM 1270 O TYR A 85 -9.459 -7.748 -5.440 1.00 0.00 O ATOM 1271 CB TYR A 85 -11.604 -8.960 -3.902 1.00 0.00 C ATOM 1272 CG TYR A 85 -12.272 -7.616 -3.712 1.00 0.00 C ATOM 1273 CD1 TYR A 85 -13.545 -7.374 -4.216 1.00 0.00 C ATOM 1274 CD2 TYR A 85 -11.632 -6.589 -3.031 1.00 0.00 C ATOM 1275 CE1 TYR A 85 -14.159 -6.149 -4.046 1.00 0.00 C ATOM 1276 CE2 TYR A 85 -12.239 -5.361 -2.855 1.00 0.00 C ATOM 1277 CZ TYR A 85 -13.502 -5.146 -3.364 1.00 0.00 C ATOM 1278 OH TYR A 85 -14.110 -3.923 -3.192 1.00 0.00 O ATOM 0 H TYR A 85 -9.583 -10.494 -5.417 1.00 0.00 H new ATOM 0 HA TYR A 85 -12.238 -9.380 -5.911 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -12.246 -9.737 -3.488 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -10.674 -8.978 -3.333 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -14.062 -8.158 -4.750 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -10.642 -6.753 -2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -15.148 -5.977 -4.445 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -11.727 -4.574 -2.322 1.00 0.00 H new ATOM 0 HH TYR A 85 -13.514 -3.329 -2.690 1.00 0.00 H new ATOM 1288 N LYS A 86 -10.923 -7.693 -7.147 1.00 0.00 N ATOM 1289 CA LYS A 86 -10.231 -6.620 -7.850 1.00 0.00 C ATOM 1290 C LYS A 86 -8.817 -7.043 -8.233 1.00 0.00 C ATOM 1291 O LYS A 86 -7.877 -6.254 -8.146 1.00 0.00 O ATOM 1292 CB LYS A 86 -10.180 -5.361 -6.981 1.00 0.00 C ATOM 1293 CG LYS A 86 -11.450 -4.530 -7.039 1.00 0.00 C ATOM 1294 CD LYS A 86 -11.284 -3.207 -6.310 1.00 0.00 C ATOM 1295 CE LYS A 86 -12.554 -2.372 -6.374 1.00 0.00 C ATOM 1296 NZ LYS A 86 -12.695 -1.676 -7.683 1.00 0.00 N ATOM 0 H LYS A 86 -11.762 -8.032 -7.617 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.786 -6.402 -8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.992 -5.651 -5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.338 -4.745 -7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.716 -4.342 -8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -12.273 -5.090 -6.595 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -11.023 -3.395 -5.269 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.458 -2.649 -6.750 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -13.419 -3.014 -6.209 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.545 -1.636 -5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.573 -1.118 -7.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -11.882 -1.044 -7.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.729 -2.379 -8.448 1.00 0.00 H new ATOM 1310 N GLY A 87 -8.673 -8.295 -8.658 1.00 0.00 N ATOM 1311 CA GLY A 87 -7.371 -8.801 -9.049 1.00 0.00 C ATOM 1312 C GLY A 87 -6.672 -9.535 -7.922 1.00 0.00 C ATOM 1313 O GLY A 87 -6.204 -10.661 -8.099 1.00 0.00 O ATOM 0 H GLY A 87 -9.436 -8.968 -8.738 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.486 -9.473 -9.900 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.747 -7.971 -9.380 1.00 0.00 H new ATOM 1317 N THR A 88 -6.598 -8.897 -6.758 1.00 0.00 N ATOM 1318 CA THR A 88 -5.949 -9.495 -5.598 1.00 0.00 C ATOM 1319 C THR A 88 -6.863 -10.508 -4.918 1.00 0.00 C ATOM 1320 O THR A 88 -8.015 -10.208 -4.606 1.00 0.00 O ATOM 1321 CB THR A 88 -5.534 -8.424 -4.572 1.00 0.00 C ATOM 1322 OG1 THR A 88 -6.577 -7.453 -4.429 1.00 0.00 O ATOM 1323 CG2 THR A 88 -4.247 -7.734 -5.000 1.00 0.00 C ATOM 0 H THR A 88 -6.980 -7.966 -6.594 1.00 0.00 H new ATOM 0 HA THR A 88 -5.056 -10.003 -5.962 1.00 0.00 H new ATOM 0 HB THR A 88 -5.362 -8.916 -3.615 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.446 -7.883 -4.570 1.00 0.00 H new ATOM 0 HG21 THR A 88 -3.974 -6.982 -4.260 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.448 -8.471 -5.080 1.00 0.00 H new ATOM 0 HG23 THR A 88 -4.396 -7.254 -5.967 1.00 0.00 H new ATOM 1331 N VAL A 89 -6.341 -11.709 -4.689 1.00 0.00 N ATOM 1332 CA VAL A 89 -7.110 -12.766 -4.043 1.00 0.00 C ATOM 1333 C VAL A 89 -6.569 -13.066 -2.650 1.00 0.00 C ATOM 1334 O VAL A 89 -5.376 -12.910 -2.389 1.00 0.00 O ATOM 1335 CB VAL A 89 -7.095 -14.060 -4.878 1.00 0.00 C ATOM 1336 CG1 VAL A 89 -5.987 -14.013 -5.918 1.00 0.00 C ATOM 1337 CG2 VAL A 89 -6.938 -15.274 -3.974 1.00 0.00 C ATOM 0 H VAL A 89 -5.389 -11.974 -4.941 1.00 0.00 H new ATOM 0 HA VAL A 89 -8.136 -12.407 -3.961 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.047 -14.145 -5.402 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -5.993 -14.936 -6.498 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -6.149 -13.165 -6.584 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.024 -13.904 -5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.929 -16.180 -4.580 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -6.001 -15.198 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.771 -15.315 -3.272 1.00 0.00 H new ATOM 1347 N TRP A 90 -7.454 -13.498 -1.758 1.00 0.00 N ATOM 1348 CA TRP A 90 -7.064 -13.821 -0.390 1.00 0.00 C ATOM 1349 C TRP A 90 -7.618 -15.179 0.027 1.00 0.00 C ATOM 1350 O TRP A 90 -8.753 -15.525 -0.301 1.00 0.00 O ATOM 1351 CB TRP A 90 -7.558 -12.739 0.571 1.00 0.00 C ATOM 1352 CG TRP A 90 -7.202 -11.350 0.135 1.00 0.00 C ATOM 1353 CD1 TRP A 90 -7.596 -10.724 -1.013 1.00 0.00 C ATOM 1354 CD2 TRP A 90 -6.378 -10.415 0.841 1.00 0.00 C ATOM 1355 NE1 TRP A 90 -7.066 -9.457 -1.064 1.00 0.00 N ATOM 1356 CE2 TRP A 90 -6.316 -9.243 0.062 1.00 0.00 C ATOM 1357 CE3 TRP A 90 -5.688 -10.453 2.055 1.00 0.00 C ATOM 1358 CZ2 TRP A 90 -5.591 -8.122 0.459 1.00 0.00 C ATOM 1359 CZ3 TRP A 90 -4.969 -9.340 2.448 1.00 0.00 C ATOM 1360 CH2 TRP A 90 -4.925 -8.188 1.652 1.00 0.00 C ATOM 0 H TRP A 90 -8.445 -13.633 -1.957 1.00 0.00 H new ATOM 0 HA TRP A 90 -5.976 -13.865 -0.349 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -8.641 -12.816 0.667 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -7.136 -12.921 1.560 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -8.231 -11.161 -1.770 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -7.208 -8.785 -1.818 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -5.716 -11.336 2.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.556 -7.233 -0.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -4.432 -9.359 3.385 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -4.354 -7.335 1.987 1.00 0.00 H new ATOM 1371 N HIS A 91 -6.809 -15.946 0.751 1.00 0.00 N ATOM 1372 CA HIS A 91 -7.219 -17.267 1.214 1.00 0.00 C ATOM 1373 C HIS A 91 -8.583 -17.205 1.894 1.00 0.00 C ATOM 1374 O HIS A 91 -8.830 -16.343 2.738 1.00 0.00 O ATOM 1375 CB HIS A 91 -6.180 -17.837 2.180 1.00 0.00 C ATOM 1376 CG HIS A 91 -4.936 -18.324 1.503 1.00 0.00 C ATOM 1377 ND1 HIS A 91 -3.685 -17.810 1.768 1.00 0.00 N ATOM 1378 CD2 HIS A 91 -4.756 -19.286 0.568 1.00 0.00 C ATOM 1379 CE1 HIS A 91 -2.788 -18.433 1.024 1.00 0.00 C ATOM 1380 NE2 HIS A 91 -3.413 -19.334 0.287 1.00 0.00 N ATOM 0 H HIS A 91 -5.866 -15.675 1.030 1.00 0.00 H new ATOM 0 HA HIS A 91 -7.295 -17.922 0.346 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -5.912 -17.070 2.906 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -6.627 -18.661 2.737 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -5.525 -19.901 0.125 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.726 -18.239 1.019 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -2.970 -19.963 -0.382 1.00 0.00 H new ATOM 1388 N LYS A 92 -9.467 -18.124 1.520 1.00 0.00 N ATOM 1389 CA LYS A 92 -10.807 -18.176 2.093 1.00 0.00 C ATOM 1390 C LYS A 92 -10.788 -17.756 3.559 1.00 0.00 C ATOM 1391 O LYS A 92 -11.745 -17.163 4.057 1.00 0.00 O ATOM 1392 CB LYS A 92 -11.386 -19.586 1.962 1.00 0.00 C ATOM 1393 CG LYS A 92 -12.882 -19.656 2.218 1.00 0.00 C ATOM 1394 CD LYS A 92 -13.674 -19.099 1.046 1.00 0.00 C ATOM 1395 CE LYS A 92 -15.168 -19.111 1.329 1.00 0.00 C ATOM 1396 NZ LYS A 92 -15.937 -18.392 0.275 1.00 0.00 N ATOM 0 H LYS A 92 -9.279 -18.844 0.822 1.00 0.00 H new ATOM 0 HA LYS A 92 -11.438 -17.479 1.542 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -11.179 -19.963 0.960 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.875 -20.246 2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -13.174 -20.691 2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -13.124 -19.096 3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -13.350 -18.079 0.838 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -13.467 -19.688 0.152 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -15.517 -20.141 1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -15.358 -18.648 2.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -16.951 -18.422 0.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -15.622 -17.402 0.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -15.776 -18.849 -0.645 1.00 0.00 H new ATOM 1410 N ASP A 93 -9.693 -18.067 4.245 1.00 0.00 N ATOM 1411 CA ASP A 93 -9.549 -17.720 5.653 1.00 0.00 C ATOM 1412 C ASP A 93 -9.047 -16.288 5.812 1.00 0.00 C ATOM 1413 O ASP A 93 -9.555 -15.528 6.637 1.00 0.00 O ATOM 1414 CB ASP A 93 -8.588 -18.689 6.344 1.00 0.00 C ATOM 1415 CG ASP A 93 -8.767 -20.118 5.869 1.00 0.00 C ATOM 1416 OD1 ASP A 93 -8.137 -20.490 4.857 1.00 0.00 O ATOM 1417 OD2 ASP A 93 -9.536 -20.864 6.510 1.00 0.00 O ATOM 0 H ASP A 93 -8.892 -18.559 3.848 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.530 -17.797 6.122 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.562 -18.373 6.158 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -8.745 -18.645 7.422 1.00 0.00 H new ATOM 1422 N CYS A 94 -8.046 -15.926 5.016 1.00 0.00 N ATOM 1423 CA CYS A 94 -7.474 -14.586 5.068 1.00 0.00 C ATOM 1424 C CYS A 94 -8.541 -13.528 4.804 1.00 0.00 C ATOM 1425 O CYS A 94 -8.607 -12.511 5.495 1.00 0.00 O ATOM 1426 CB CYS A 94 -6.343 -14.452 4.046 1.00 0.00 C ATOM 1427 SG CYS A 94 -4.777 -15.225 4.564 1.00 0.00 S ATOM 0 H CYS A 94 -7.614 -16.542 4.327 1.00 0.00 H new ATOM 0 HA CYS A 94 -7.071 -14.428 6.069 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -6.663 -14.900 3.105 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -6.167 -13.394 3.852 1.00 0.00 H new ATOM 0 HG CYS A 94 -3.974 -15.304 3.545 1.00 0.00 H new ATOM 1432 N PHE A 95 -9.376 -13.775 3.800 1.00 0.00 N ATOM 1433 CA PHE A 95 -10.441 -12.844 3.444 1.00 0.00 C ATOM 1434 C PHE A 95 -11.483 -12.758 4.555 1.00 0.00 C ATOM 1435 O PHE A 95 -12.032 -13.772 4.986 1.00 0.00 O ATOM 1436 CB PHE A 95 -11.108 -13.276 2.136 1.00 0.00 C ATOM 1437 CG PHE A 95 -11.826 -12.159 1.433 1.00 0.00 C ATOM 1438 CD1 PHE A 95 -13.089 -11.765 1.842 1.00 0.00 C ATOM 1439 CD2 PHE A 95 -11.238 -11.505 0.362 1.00 0.00 C ATOM 1440 CE1 PHE A 95 -13.753 -10.738 1.198 1.00 0.00 C ATOM 1441 CE2 PHE A 95 -11.896 -10.478 -0.286 1.00 0.00 C ATOM 1442 CZ PHE A 95 -13.156 -10.094 0.132 1.00 0.00 C ATOM 0 H PHE A 95 -9.336 -14.612 3.218 1.00 0.00 H new ATOM 0 HA PHE A 95 -9.997 -11.858 3.310 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -10.350 -13.687 1.469 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -11.816 -14.078 2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -13.561 -12.266 2.674 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.254 -11.802 0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -14.737 -10.440 1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.426 -9.975 -1.119 1.00 0.00 H new ATOM 0 HZ PHE A 95 -13.673 -9.292 -0.374 1.00 0.00 H new