USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 890 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 35 HIS : no HE2:sc= -1.45 K(o=-2,f=-7.1!) USER MOD Set 1.2: A 55 GLN : amide:sc= -0.581 K(o=-2,f=-5.2) USER MOD Set 1.3: A 124 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 117 TYR OH : rot 121:sc= 1.15 USER MOD Set 2.2: A 119 CYS SG : rot 69:sc= -3.58! USER MOD Set 3.1: A 56 ASN : amide:sc= -0.0556 X(o=-0.054,f=-0.36) USER MOD Set 3.2: A 61 LYS NZ :NH3+ -126:sc= 0.00198 (180deg=0) USER MOD Set 4.1: A 40 ASN : amide:sc= 0.0961 K(o=0.87,f=-4.5!) USER MOD Set 4.2: A 51 THR OG1 : rot -68:sc= 0.778 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.19 K(o=-0.19,f=-1.4) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.082) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 37 CYS SG : rot -121:sc= 0.645 USER MOD Single : A 41 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 154:sc= -0.192 (180deg=-0.841) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -167:sc=-0.00106 (180deg=-0.0846) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl 139:sc= -2.61 (180deg=-5.21!) USER MOD Single : A 68 THR OG1 : rot 160:sc= 0 USER MOD Single : A 71 THR OG1 : rot -22:sc= 0.701 USER MOD Single : A 73 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.178) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot -160:sc= -2.23 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.526 USER MOD Single : A 96 SER OG : rot 180:sc= -0.112 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl -174:sc= -0.0746 (180deg=-0.136) USER MOD Single : A 116 TYR OH : rot 180:sc= -0.382 USER MOD Single : A 120 ASN : amide:sc= -2.18 X(o=-2.2,f=-1.9) USER MOD Single : A 122 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.9) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 46:sc= 0.652 USER MOD Single : A 128 ASN :FLIP amide:sc= -1.87! C(o=-3.1!,f=-1.9!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -3.29! C(o=-3.3!,f=-3.7!) USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 117 N SER A 12 0.370 12.299 -13.382 1.00 0.00 N ATOM 118 CA SER A 12 0.141 11.171 -12.488 1.00 0.00 C ATOM 119 C SER A 12 1.034 11.264 -11.255 1.00 0.00 C ATOM 120 O SER A 12 1.978 12.054 -11.216 1.00 0.00 O ATOM 121 CB SER A 12 0.399 9.852 -13.220 1.00 0.00 C ATOM 122 OG SER A 12 -0.637 9.572 -14.146 1.00 0.00 O ATOM 0 HA SER A 12 -0.899 11.202 -12.164 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.354 9.903 -13.743 1.00 0.00 H new ATOM 0 HB3 SER A 12 0.474 9.040 -12.497 1.00 0.00 H new ATOM 0 HG SER A 12 -0.448 8.725 -14.602 1.00 0.00 H new ATOM 128 N PHE A 13 0.730 10.451 -10.248 1.00 0.00 N ATOM 129 CA PHE A 13 1.504 10.441 -9.012 1.00 0.00 C ATOM 130 C PHE A 13 2.387 9.200 -8.934 1.00 0.00 C ATOM 131 O PHE A 13 2.316 8.318 -9.790 1.00 0.00 O ATOM 132 CB PHE A 13 0.571 10.495 -7.801 1.00 0.00 C ATOM 133 CG PHE A 13 -0.023 11.853 -7.561 1.00 0.00 C ATOM 134 CD1 PHE A 13 -1.075 12.311 -8.337 1.00 0.00 C ATOM 135 CD2 PHE A 13 0.471 12.672 -6.558 1.00 0.00 C ATOM 136 CE1 PHE A 13 -1.622 13.562 -8.118 1.00 0.00 C ATOM 137 CE2 PHE A 13 -0.072 13.923 -6.335 1.00 0.00 C ATOM 138 CZ PHE A 13 -1.121 14.368 -7.115 1.00 0.00 C ATOM 0 H PHE A 13 -0.047 9.791 -10.264 1.00 0.00 H new ATOM 0 HA PHE A 13 2.145 11.322 -9.007 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.235 9.775 -7.941 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.123 10.187 -6.913 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.472 11.684 -9.122 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.290 12.328 -5.943 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.441 13.908 -8.731 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.324 14.552 -5.551 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.549 15.344 -6.941 1.00 0.00 H new ATOM 148 N VAL A 14 3.221 9.139 -7.900 1.00 0.00 N ATOM 149 CA VAL A 14 4.119 8.006 -7.708 1.00 0.00 C ATOM 150 C VAL A 14 4.205 7.617 -6.237 1.00 0.00 C ATOM 151 O VAL A 14 3.634 8.283 -5.372 1.00 0.00 O ATOM 152 CB VAL A 14 5.534 8.317 -8.230 1.00 0.00 C ATOM 153 CG1 VAL A 14 5.506 8.578 -9.728 1.00 0.00 C ATOM 154 CG2 VAL A 14 6.127 9.504 -7.485 1.00 0.00 C ATOM 0 H VAL A 14 3.293 9.861 -7.183 1.00 0.00 H new ATOM 0 HA VAL A 14 3.705 7.173 -8.277 1.00 0.00 H new ATOM 0 HB VAL A 14 6.168 7.449 -8.049 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.515 8.796 -10.078 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.125 7.697 -10.244 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.858 9.429 -9.937 1.00 0.00 H new ATOM 0 HG21 VAL A 14 7.127 9.710 -7.866 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.495 10.379 -7.633 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.185 9.274 -6.421 1.00 0.00 H new ATOM 164 N LEU A 15 4.923 6.534 -5.958 1.00 0.00 N ATOM 165 CA LEU A 15 5.086 6.055 -4.590 1.00 0.00 C ATOM 166 C LEU A 15 6.468 6.408 -4.050 1.00 0.00 C ATOM 167 O LEU A 15 7.474 6.252 -4.743 1.00 0.00 O ATOM 168 CB LEU A 15 4.873 4.541 -4.530 1.00 0.00 C ATOM 169 CG LEU A 15 3.550 4.026 -5.099 1.00 0.00 C ATOM 170 CD1 LEU A 15 3.706 2.600 -5.603 1.00 0.00 C ATOM 171 CD2 LEU A 15 2.452 4.106 -4.049 1.00 0.00 C ATOM 0 H LEU A 15 5.401 5.971 -6.661 1.00 0.00 H new ATOM 0 HA LEU A 15 4.338 6.546 -3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.689 4.058 -5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.945 4.225 -3.489 1.00 0.00 H new ATOM 0 HG LEU A 15 3.267 4.658 -5.941 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.755 2.250 -6.004 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.463 2.572 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.012 1.955 -4.780 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.518 3.736 -4.471 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.727 3.498 -3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.323 5.142 -3.736 1.00 0.00 H new ATOM 183 N ASP A 16 6.510 6.881 -2.810 1.00 0.00 N ATOM 184 CA ASP A 16 7.769 7.252 -2.175 1.00 0.00 C ATOM 185 C ASP A 16 8.386 6.059 -1.451 1.00 0.00 C ATOM 186 O ASP A 16 9.061 6.219 -0.434 1.00 0.00 O ATOM 187 CB ASP A 16 7.549 8.403 -1.192 1.00 0.00 C ATOM 188 CG ASP A 16 8.822 9.180 -0.916 1.00 0.00 C ATOM 189 OD1 ASP A 16 9.453 9.647 -1.887 1.00 0.00 O ATOM 190 OD2 ASP A 16 9.187 9.320 0.270 1.00 0.00 O ATOM 0 H ASP A 16 5.686 7.017 -2.224 1.00 0.00 H new ATOM 0 HA ASP A 16 8.458 7.577 -2.954 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.794 9.079 -1.592 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.158 8.007 -0.255 1.00 0.00 H new ATOM 195 N PHE A 17 8.147 4.864 -1.981 1.00 0.00 N ATOM 196 CA PHE A 17 8.677 3.644 -1.385 1.00 0.00 C ATOM 197 C PHE A 17 8.789 2.534 -2.426 1.00 0.00 C ATOM 198 O PHE A 17 8.095 2.549 -3.442 1.00 0.00 O ATOM 199 CB PHE A 17 7.785 3.187 -0.229 1.00 0.00 C ATOM 200 CG PHE A 17 6.327 3.129 -0.584 1.00 0.00 C ATOM 201 CD1 PHE A 17 5.542 4.270 -0.532 1.00 0.00 C ATOM 202 CD2 PHE A 17 5.741 1.934 -0.971 1.00 0.00 C ATOM 203 CE1 PHE A 17 4.199 4.219 -0.858 1.00 0.00 C ATOM 204 CE2 PHE A 17 4.399 1.878 -1.298 1.00 0.00 C ATOM 205 CZ PHE A 17 3.628 3.022 -1.243 1.00 0.00 C ATOM 0 H PHE A 17 7.590 4.715 -2.822 1.00 0.00 H new ATOM 0 HA PHE A 17 9.674 3.860 -1.002 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.110 2.201 0.102 1.00 0.00 H new ATOM 0 HB3 PHE A 17 7.919 3.866 0.613 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.984 5.209 -0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.340 1.036 -1.018 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.597 5.115 -0.812 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.954 0.940 -1.596 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.580 2.981 -1.501 1.00 0.00 H new ATOM 215 N SER A 18 9.669 1.572 -2.164 1.00 0.00 N ATOM 216 CA SER A 18 9.876 0.456 -3.080 1.00 0.00 C ATOM 217 C SER A 18 8.844 -0.641 -2.840 1.00 0.00 C ATOM 218 O SER A 18 8.350 -0.811 -1.726 1.00 0.00 O ATOM 219 CB SER A 18 11.288 -0.110 -2.915 1.00 0.00 C ATOM 220 OG SER A 18 12.268 0.887 -3.145 1.00 0.00 O ATOM 0 H SER A 18 10.249 1.543 -1.326 1.00 0.00 H new ATOM 0 HA SER A 18 9.757 0.826 -4.099 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.406 -0.515 -1.910 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.435 -0.936 -3.610 1.00 0.00 H new ATOM 0 HG SER A 18 13.161 0.500 -3.032 1.00 0.00 H new ATOM 226 N GLN A 19 8.524 -1.384 -3.895 1.00 0.00 N ATOM 227 CA GLN A 19 7.550 -2.465 -3.800 1.00 0.00 C ATOM 228 C GLN A 19 8.059 -3.578 -2.891 1.00 0.00 C ATOM 229 O GLN A 19 9.206 -4.016 -2.987 1.00 0.00 O ATOM 230 CB GLN A 19 7.242 -3.026 -5.190 1.00 0.00 C ATOM 231 CG GLN A 19 6.831 -1.964 -6.197 1.00 0.00 C ATOM 232 CD GLN A 19 5.855 -0.958 -5.619 1.00 0.00 C ATOM 233 OE1 GLN A 19 6.097 0.249 -5.653 1.00 0.00 O ATOM 234 NE2 GLN A 19 4.744 -1.451 -5.086 1.00 0.00 N ATOM 0 H GLN A 19 8.925 -1.257 -4.824 1.00 0.00 H new ATOM 0 HA GLN A 19 6.635 -2.059 -3.369 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.122 -3.549 -5.565 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.444 -3.764 -5.106 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.719 -1.441 -6.550 1.00 0.00 H new ATOM 0 HG3 GLN A 19 6.379 -2.446 -7.064 1.00 0.00 H new ATOM 0 HE21 GLN A 19 4.585 -2.458 -5.080 1.00 0.00 H new ATOM 0 HE22 GLN A 19 4.049 -0.822 -4.683 1.00 0.00 H new ATOM 243 N PRO A 20 7.189 -4.049 -1.986 1.00 0.00 N ATOM 244 CA PRO A 20 7.528 -5.118 -1.042 1.00 0.00 C ATOM 245 C PRO A 20 7.693 -6.469 -1.730 1.00 0.00 C ATOM 246 O PRO A 20 8.591 -7.241 -1.395 1.00 0.00 O ATOM 247 CB PRO A 20 6.329 -5.145 -0.091 1.00 0.00 C ATOM 248 CG PRO A 20 5.199 -4.594 -0.890 1.00 0.00 C ATOM 249 CD PRO A 20 5.805 -3.575 -1.815 1.00 0.00 C ATOM 0 HA PRO A 20 8.480 -4.935 -0.544 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.116 -6.159 0.249 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.516 -4.543 0.798 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.698 -5.382 -1.452 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.450 -4.137 -0.243 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.275 -3.531 -2.766 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.773 -2.574 -1.386 1.00 0.00 H new ATOM 257 N SER A 21 6.821 -6.747 -2.694 1.00 0.00 N ATOM 258 CA SER A 21 6.869 -8.006 -3.427 1.00 0.00 C ATOM 259 C SER A 21 8.244 -8.220 -4.052 1.00 0.00 C ATOM 260 O SER A 21 8.683 -9.354 -4.242 1.00 0.00 O ATOM 261 CB SER A 21 5.793 -8.029 -4.514 1.00 0.00 C ATOM 262 OG SER A 21 5.634 -9.332 -5.047 1.00 0.00 O ATOM 0 H SER A 21 6.073 -6.117 -2.985 1.00 0.00 H new ATOM 0 HA SER A 21 6.680 -8.815 -2.722 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.846 -7.684 -4.100 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.063 -7.337 -5.312 1.00 0.00 H new ATOM 0 HG SER A 21 4.940 -9.320 -5.739 1.00 0.00 H new ATOM 268 N ALA A 22 8.920 -7.120 -4.369 1.00 0.00 N ATOM 269 CA ALA A 22 10.246 -7.185 -4.971 1.00 0.00 C ATOM 270 C ALA A 22 11.028 -8.385 -4.448 1.00 0.00 C ATOM 271 O ALA A 22 11.703 -9.078 -5.209 1.00 0.00 O ATOM 272 CB ALA A 22 11.010 -5.897 -4.704 1.00 0.00 C ATOM 0 H ALA A 22 8.571 -6.173 -4.219 1.00 0.00 H new ATOM 0 HA ALA A 22 10.124 -7.306 -6.047 1.00 0.00 H new ATOM 0 HB1 ALA A 22 11.998 -5.959 -5.159 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.466 -5.056 -5.132 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.114 -5.752 -3.629 1.00 0.00 H new ATOM 278 N ASP A 23 10.933 -8.624 -3.144 1.00 0.00 N ATOM 279 CA ASP A 23 11.632 -9.741 -2.519 1.00 0.00 C ATOM 280 C ASP A 23 10.642 -10.770 -1.984 1.00 0.00 C ATOM 281 O ASP A 23 10.002 -10.555 -0.954 1.00 0.00 O ATOM 282 CB ASP A 23 12.528 -9.239 -1.385 1.00 0.00 C ATOM 283 CG ASP A 23 13.548 -8.223 -1.860 1.00 0.00 C ATOM 284 OD1 ASP A 23 14.199 -8.474 -2.896 1.00 0.00 O ATOM 285 OD2 ASP A 23 13.694 -7.175 -1.196 1.00 0.00 O ATOM 0 H ASP A 23 10.379 -8.059 -2.500 1.00 0.00 H new ATOM 0 HA ASP A 23 12.252 -10.220 -3.277 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.909 -8.792 -0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.046 -10.085 -0.933 1.00 0.00 H new ATOM 290 N TYR A 24 10.519 -11.888 -2.690 1.00 0.00 N ATOM 291 CA TYR A 24 9.604 -12.950 -2.289 1.00 0.00 C ATOM 292 C TYR A 24 9.935 -13.454 -0.887 1.00 0.00 C ATOM 293 O TYR A 24 9.049 -13.623 -0.049 1.00 0.00 O ATOM 294 CB TYR A 24 9.663 -14.108 -3.286 1.00 0.00 C ATOM 295 CG TYR A 24 8.739 -15.253 -2.940 1.00 0.00 C ATOM 296 CD1 TYR A 24 7.410 -15.245 -3.346 1.00 0.00 C ATOM 297 CD2 TYR A 24 9.193 -16.342 -2.207 1.00 0.00 C ATOM 298 CE1 TYR A 24 6.561 -16.289 -3.031 1.00 0.00 C ATOM 299 CE2 TYR A 24 8.352 -17.391 -1.889 1.00 0.00 C ATOM 300 CZ TYR A 24 7.037 -17.360 -2.304 1.00 0.00 C ATOM 301 OH TYR A 24 6.195 -18.402 -1.988 1.00 0.00 O ATOM 0 H TYR A 24 11.042 -12.083 -3.544 1.00 0.00 H new ATOM 0 HA TYR A 24 8.594 -12.539 -2.279 1.00 0.00 H new ATOM 0 HB2 TYR A 24 9.410 -13.735 -4.278 1.00 0.00 H new ATOM 0 HB3 TYR A 24 10.686 -14.481 -3.337 1.00 0.00 H new ATOM 0 HD1 TYR A 24 7.034 -14.409 -3.917 1.00 0.00 H new ATOM 0 HD2 TYR A 24 10.222 -16.369 -1.880 1.00 0.00 H new ATOM 0 HE1 TYR A 24 5.530 -16.266 -3.352 1.00 0.00 H new ATOM 0 HE2 TYR A 24 8.722 -18.230 -1.319 1.00 0.00 H new ATOM 0 HH TYR A 24 6.687 -19.076 -1.474 1.00 0.00 H new ATOM 311 N LEU A 25 11.219 -13.691 -0.639 1.00 0.00 N ATOM 312 CA LEU A 25 11.670 -14.175 0.661 1.00 0.00 C ATOM 313 C LEU A 25 11.461 -13.115 1.738 1.00 0.00 C ATOM 314 O LEU A 25 10.614 -13.269 2.618 1.00 0.00 O ATOM 315 CB LEU A 25 13.147 -14.568 0.596 1.00 0.00 C ATOM 316 CG LEU A 25 13.440 -16.007 0.168 1.00 0.00 C ATOM 317 CD1 LEU A 25 12.744 -16.991 1.095 1.00 0.00 C ATOM 318 CD2 LEU A 25 13.009 -16.233 -1.274 1.00 0.00 C ATOM 0 H LEU A 25 11.965 -13.556 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 25 11.078 -15.053 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.652 -13.894 -0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.589 -14.405 1.579 1.00 0.00 H new ATOM 0 HG LEU A 25 14.515 -16.174 0.235 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.964 -18.010 0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.101 -16.846 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 25 11.667 -16.824 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.225 -17.262 -1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.939 -16.047 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 25 13.554 -15.552 -1.928 1.00 0.00 H new ATOM 330 N ASP A 26 12.238 -12.040 1.662 1.00 0.00 N ATOM 331 CA ASP A 26 12.136 -10.953 2.629 1.00 0.00 C ATOM 332 C ASP A 26 10.677 -10.587 2.883 1.00 0.00 C ATOM 333 O ASP A 26 10.338 -10.036 3.931 1.00 0.00 O ATOM 334 CB ASP A 26 12.903 -9.727 2.132 1.00 0.00 C ATOM 335 CG ASP A 26 12.835 -8.568 3.107 1.00 0.00 C ATOM 336 OD1 ASP A 26 13.550 -8.610 4.131 1.00 0.00 O ATOM 337 OD2 ASP A 26 12.069 -7.617 2.845 1.00 0.00 O ATOM 0 H ASP A 26 12.945 -11.898 0.941 1.00 0.00 H new ATOM 0 HA ASP A 26 12.576 -11.291 3.567 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.946 -9.997 1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.497 -9.413 1.170 1.00 0.00 H new ATOM 342 N PHE A 27 9.818 -10.898 1.919 1.00 0.00 N ATOM 343 CA PHE A 27 8.395 -10.600 2.037 1.00 0.00 C ATOM 344 C PHE A 27 7.670 -11.703 2.802 1.00 0.00 C ATOM 345 O PHE A 27 7.115 -11.467 3.875 1.00 0.00 O ATOM 346 CB PHE A 27 7.770 -10.430 0.651 1.00 0.00 C ATOM 347 CG PHE A 27 6.270 -10.487 0.658 1.00 0.00 C ATOM 348 CD1 PHE A 27 5.609 -11.704 0.621 1.00 0.00 C ATOM 349 CD2 PHE A 27 5.519 -9.323 0.702 1.00 0.00 C ATOM 350 CE1 PHE A 27 4.228 -11.760 0.628 1.00 0.00 C ATOM 351 CE2 PHE A 27 4.138 -9.373 0.710 1.00 0.00 C ATOM 352 CZ PHE A 27 3.492 -10.593 0.672 1.00 0.00 C ATOM 0 H PHE A 27 10.082 -11.356 1.047 1.00 0.00 H new ATOM 0 HA PHE A 27 8.290 -9.668 2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 27 8.087 -9.475 0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 27 8.152 -11.209 -0.009 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.180 -12.620 0.586 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.019 -8.366 0.730 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.725 -12.715 0.599 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.564 -8.459 0.746 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.413 -10.634 0.677 1.00 0.00 H new ATOM 362 N ARG A 28 7.680 -12.908 2.242 1.00 0.00 N ATOM 363 CA ARG A 28 7.022 -14.048 2.870 1.00 0.00 C ATOM 364 C ARG A 28 7.372 -14.129 4.353 1.00 0.00 C ATOM 365 O ARG A 28 6.582 -14.612 5.162 1.00 0.00 O ATOM 366 CB ARG A 28 7.425 -15.346 2.168 1.00 0.00 C ATOM 367 CG ARG A 28 8.713 -15.952 2.701 1.00 0.00 C ATOM 368 CD ARG A 28 8.934 -17.356 2.160 1.00 0.00 C ATOM 369 NE ARG A 28 9.911 -18.100 2.950 1.00 0.00 N ATOM 370 CZ ARG A 28 9.616 -18.730 4.081 1.00 0.00 C ATOM 371 NH1 ARG A 28 8.377 -18.707 4.552 1.00 0.00 N ATOM 372 NH2 ARG A 28 10.560 -19.386 4.743 1.00 0.00 N ATOM 0 H ARG A 28 8.136 -13.120 1.355 1.00 0.00 H new ATOM 0 HA ARG A 28 5.945 -13.911 2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.620 -16.073 2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 28 7.539 -15.152 1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.556 -15.318 2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.679 -15.982 3.790 1.00 0.00 H new ATOM 0 HD2 ARG A 28 7.987 -17.895 2.154 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.274 -17.297 1.126 1.00 0.00 H new ATOM 0 HE ARG A 28 10.873 -18.138 2.614 1.00 0.00 H new ATOM 0 HH11 ARG A 28 7.648 -18.205 4.045 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.153 -19.192 5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.514 -19.407 4.383 1.00 0.00 H new ATOM 0 HH22 ARG A 28 10.332 -19.869 5.612 1.00 0.00 H new ATOM 386 N ASN A 29 8.563 -13.652 4.701 1.00 0.00 N ATOM 387 CA ASN A 29 9.019 -13.672 6.086 1.00 0.00 C ATOM 388 C ASN A 29 8.136 -12.788 6.962 1.00 0.00 C ATOM 389 O ASN A 29 7.802 -13.150 8.090 1.00 0.00 O ATOM 390 CB ASN A 29 10.473 -13.205 6.173 1.00 0.00 C ATOM 391 CG ASN A 29 11.455 -14.294 5.784 1.00 0.00 C ATOM 392 OD1 ASN A 29 11.434 -15.391 6.342 1.00 0.00 O ATOM 393 ND2 ASN A 29 12.321 -13.994 4.824 1.00 0.00 N ATOM 0 H ASN A 29 9.229 -13.247 4.043 1.00 0.00 H new ATOM 0 HA ASN A 29 8.951 -14.697 6.450 1.00 0.00 H new ATOM 0 HB2 ASN A 29 10.614 -12.343 5.521 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.685 -12.874 7.190 1.00 0.00 H new ATOM 0 HD21 ASN A 29 13.006 -14.686 4.521 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.301 -13.071 4.390 1.00 0.00 H new ATOM 400 N ARG A 30 7.761 -11.628 6.433 1.00 0.00 N ATOM 401 CA ARG A 30 6.917 -10.692 7.166 1.00 0.00 C ATOM 402 C ARG A 30 5.473 -11.181 7.210 1.00 0.00 C ATOM 403 O ARG A 30 4.783 -11.024 8.219 1.00 0.00 O ATOM 404 CB ARG A 30 6.978 -9.305 6.522 1.00 0.00 C ATOM 405 CG ARG A 30 8.380 -8.884 6.114 1.00 0.00 C ATOM 406 CD ARG A 30 9.277 -8.683 7.325 1.00 0.00 C ATOM 407 NE ARG A 30 9.021 -7.409 7.990 1.00 0.00 N ATOM 408 CZ ARG A 30 9.919 -6.777 8.739 1.00 0.00 C ATOM 409 NH1 ARG A 30 11.124 -7.300 8.916 1.00 0.00 N ATOM 410 NH2 ARG A 30 9.611 -5.620 9.311 1.00 0.00 N ATOM 0 H ARG A 30 8.028 -11.314 5.500 1.00 0.00 H new ATOM 0 HA ARG A 30 7.292 -10.628 8.188 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.334 -9.293 5.643 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.576 -8.571 7.221 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.813 -9.642 5.461 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.330 -7.959 5.539 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.121 -9.498 8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.321 -8.726 7.014 1.00 0.00 H new ATOM 0 HE ARG A 30 8.103 -6.980 7.874 1.00 0.00 H new ATOM 0 HH11 ARG A 30 11.364 -8.189 8.477 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.812 -6.813 9.491 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.685 -5.215 9.176 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.301 -5.136 9.886 1.00 0.00 H new ATOM 424 N LEU A 31 5.021 -11.774 6.111 1.00 0.00 N ATOM 425 CA LEU A 31 3.658 -12.286 6.023 1.00 0.00 C ATOM 426 C LEU A 31 3.469 -13.492 6.938 1.00 0.00 C ATOM 427 O LEU A 31 2.344 -13.920 7.192 1.00 0.00 O ATOM 428 CB LEU A 31 3.329 -12.671 4.579 1.00 0.00 C ATOM 429 CG LEU A 31 1.889 -13.113 4.314 1.00 0.00 C ATOM 430 CD1 LEU A 31 1.005 -11.908 4.031 1.00 0.00 C ATOM 431 CD2 LEU A 31 1.839 -14.098 3.155 1.00 0.00 C ATOM 0 H LEU A 31 5.578 -11.912 5.268 1.00 0.00 H new ATOM 0 HA LEU A 31 2.979 -11.497 6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.550 -11.818 3.937 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.997 -13.478 4.278 1.00 0.00 H new ATOM 0 HG LEU A 31 1.512 -13.613 5.206 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.016 -12.241 3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.017 -11.238 4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.380 -11.380 3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.807 -14.402 2.980 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.235 -13.624 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.440 -14.975 3.397 1.00 0.00 H new ATOM 443 N GLN A 32 4.579 -14.034 7.430 1.00 0.00 N ATOM 444 CA GLN A 32 4.535 -15.190 8.318 1.00 0.00 C ATOM 445 C GLN A 32 4.737 -14.768 9.770 1.00 0.00 C ATOM 446 O GLN A 32 4.297 -15.453 10.692 1.00 0.00 O ATOM 447 CB GLN A 32 5.602 -16.209 7.917 1.00 0.00 C ATOM 448 CG GLN A 32 5.713 -17.384 8.875 1.00 0.00 C ATOM 449 CD GLN A 32 6.803 -18.360 8.478 1.00 0.00 C ATOM 450 OE1 GLN A 32 7.820 -17.972 7.902 1.00 0.00 O ATOM 451 NE2 GLN A 32 6.596 -19.635 8.786 1.00 0.00 N ATOM 0 H GLN A 32 5.519 -13.692 7.229 1.00 0.00 H new ATOM 0 HA GLN A 32 3.551 -15.650 8.226 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.376 -16.585 6.919 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.568 -15.707 7.858 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.913 -17.011 9.880 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.758 -17.908 8.914 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.738 -19.911 9.264 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.295 -20.338 8.545 1.00 0.00 H new ATOM 460 N ALA A 33 5.407 -13.637 9.965 1.00 0.00 N ATOM 461 CA ALA A 33 5.667 -13.124 11.304 1.00 0.00 C ATOM 462 C ALA A 33 4.561 -12.174 11.752 1.00 0.00 C ATOM 463 O ALA A 33 4.230 -12.106 12.936 1.00 0.00 O ATOM 464 CB ALA A 33 7.017 -12.424 11.349 1.00 0.00 C ATOM 0 H ALA A 33 5.780 -13.058 9.212 1.00 0.00 H new ATOM 0 HA ALA A 33 5.686 -13.969 11.992 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.197 -12.046 12.355 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.802 -13.131 11.080 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.020 -11.593 10.643 1.00 0.00 H new ATOM 470 N ASP A 34 3.994 -11.443 10.799 1.00 0.00 N ATOM 471 CA ASP A 34 2.925 -10.497 11.096 1.00 0.00 C ATOM 472 C ASP A 34 1.579 -11.031 10.618 1.00 0.00 C ATOM 473 O ASP A 34 0.525 -10.600 11.090 1.00 0.00 O ATOM 474 CB ASP A 34 3.214 -9.146 10.438 1.00 0.00 C ATOM 475 CG ASP A 34 2.580 -7.990 11.188 1.00 0.00 C ATOM 476 OD1 ASP A 34 1.375 -7.738 10.979 1.00 0.00 O ATOM 477 OD2 ASP A 34 3.289 -7.338 11.982 1.00 0.00 O ATOM 0 H ASP A 34 4.257 -11.487 9.814 1.00 0.00 H new ATOM 0 HA ASP A 34 2.880 -10.364 12.177 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.292 -8.994 10.385 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.843 -9.157 9.413 1.00 0.00 H new ATOM 482 N HIS A 35 1.620 -11.972 9.680 1.00 0.00 N ATOM 483 CA HIS A 35 0.402 -12.565 9.138 1.00 0.00 C ATOM 484 C HIS A 35 -0.335 -11.572 8.244 1.00 0.00 C ATOM 485 O HIS A 35 -1.553 -11.651 8.084 1.00 0.00 O ATOM 486 CB HIS A 35 -0.514 -13.026 10.272 1.00 0.00 C ATOM 487 CG HIS A 35 0.224 -13.598 11.443 1.00 0.00 C ATOM 488 ND1 HIS A 35 0.984 -14.745 11.366 1.00 0.00 N ATOM 489 CD2 HIS A 35 0.316 -13.172 12.725 1.00 0.00 C ATOM 490 CE1 HIS A 35 1.511 -15.002 12.550 1.00 0.00 C ATOM 491 NE2 HIS A 35 1.121 -14.062 13.393 1.00 0.00 N ATOM 0 H HIS A 35 2.483 -12.340 9.280 1.00 0.00 H new ATOM 0 HA HIS A 35 0.685 -13.428 8.536 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -1.115 -12.181 10.609 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -1.206 -13.776 9.887 1.00 0.00 H new ATOM 0 HD1 HIS A 35 1.119 -15.308 10.526 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.156 -12.296 13.144 1.00 0.00 H new ATOM 0 HE1 HIS A 35 2.152 -15.838 12.788 1.00 0.00 H new ATOM 499 N VAL A 36 0.412 -10.638 7.664 1.00 0.00 N ATOM 500 CA VAL A 36 -0.170 -9.630 6.786 1.00 0.00 C ATOM 501 C VAL A 36 0.911 -8.756 6.160 1.00 0.00 C ATOM 502 O VAL A 36 1.820 -8.288 6.846 1.00 0.00 O ATOM 503 CB VAL A 36 -1.165 -8.732 7.545 1.00 0.00 C ATOM 504 CG1 VAL A 36 -0.476 -8.034 8.708 1.00 0.00 C ATOM 505 CG2 VAL A 36 -1.794 -7.718 6.601 1.00 0.00 C ATOM 0 H VAL A 36 1.422 -10.559 7.786 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.702 -10.165 5.999 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.959 -9.360 7.949 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.195 -7.404 9.232 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.078 -8.780 9.396 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.339 -7.417 8.331 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.494 -7.092 7.154 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.014 -7.093 6.166 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.325 -8.242 5.806 1.00 0.00 H new ATOM 515 N CYS A 37 0.806 -8.540 4.854 1.00 0.00 N ATOM 516 CA CYS A 37 1.775 -7.722 4.133 1.00 0.00 C ATOM 517 C CYS A 37 1.253 -7.353 2.749 1.00 0.00 C ATOM 518 O CYS A 37 0.553 -8.138 2.108 1.00 0.00 O ATOM 519 CB CYS A 37 3.107 -8.463 4.009 1.00 0.00 C ATOM 520 SG CYS A 37 4.503 -7.403 3.567 1.00 0.00 S ATOM 0 H CYS A 37 0.059 -8.920 4.272 1.00 0.00 H new ATOM 0 HA CYS A 37 1.930 -6.803 4.699 1.00 0.00 H new ATOM 0 HB2 CYS A 37 3.325 -8.957 4.956 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.006 -9.246 3.257 1.00 0.00 H new ATOM 0 HG CYS A 37 5.027 -7.818 2.452 1.00 0.00 H new ATOM 526 N LEU A 38 1.597 -6.153 2.293 1.00 0.00 N ATOM 527 CA LEU A 38 1.161 -5.679 0.984 1.00 0.00 C ATOM 528 C LEU A 38 2.020 -6.277 -0.125 1.00 0.00 C ATOM 529 O LEU A 38 3.248 -6.268 -0.045 1.00 0.00 O ATOM 530 CB LEU A 38 1.225 -4.151 0.927 1.00 0.00 C ATOM 531 CG LEU A 38 1.188 -3.530 -0.470 1.00 0.00 C ATOM 532 CD1 LEU A 38 -0.245 -3.423 -0.969 1.00 0.00 C ATOM 533 CD2 LEU A 38 1.856 -2.163 -0.464 1.00 0.00 C ATOM 0 H LEU A 38 2.176 -5.491 2.810 1.00 0.00 H new ATOM 0 HA LEU A 38 0.130 -6.000 0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.391 -3.751 1.503 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.140 -3.827 1.423 1.00 0.00 H new ATOM 0 HG LEU A 38 1.740 -4.179 -1.150 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.251 -2.979 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.690 -4.417 -1.012 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.821 -2.796 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.820 -1.736 -1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.332 -1.505 0.229 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.895 -2.267 -0.151 1.00 0.00 H new ATOM 545 N GLU A 39 1.366 -6.793 -1.161 1.00 0.00 N ATOM 546 CA GLU A 39 2.071 -7.394 -2.287 1.00 0.00 C ATOM 547 C GLU A 39 2.526 -6.325 -3.277 1.00 0.00 C ATOM 548 O GLU A 39 3.707 -5.987 -3.341 1.00 0.00 O ATOM 549 CB GLU A 39 1.174 -8.411 -2.995 1.00 0.00 C ATOM 550 CG GLU A 39 1.858 -9.130 -4.145 1.00 0.00 C ATOM 551 CD GLU A 39 1.072 -10.331 -4.633 1.00 0.00 C ATOM 552 OE1 GLU A 39 -0.168 -10.330 -4.482 1.00 0.00 O ATOM 553 OE2 GLU A 39 1.696 -11.273 -5.166 1.00 0.00 O ATOM 0 H GLU A 39 0.349 -6.807 -1.244 1.00 0.00 H new ATOM 0 HA GLU A 39 2.952 -7.905 -1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.832 -9.148 -2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.288 -7.900 -3.373 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.000 -8.433 -4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.849 -9.454 -3.828 1.00 0.00 H new ATOM 560 N ASN A 40 1.579 -5.797 -4.046 1.00 0.00 N ATOM 561 CA ASN A 40 1.882 -4.768 -5.033 1.00 0.00 C ATOM 562 C ASN A 40 0.830 -3.664 -5.009 1.00 0.00 C ATOM 563 O ASN A 40 -0.365 -3.934 -4.885 1.00 0.00 O ATOM 564 CB ASN A 40 1.962 -5.381 -6.433 1.00 0.00 C ATOM 565 CG ASN A 40 0.606 -5.828 -6.946 1.00 0.00 C ATOM 566 OD1 ASN A 40 -0.288 -6.155 -6.165 1.00 0.00 O ATOM 567 ND2 ASN A 40 0.449 -5.845 -8.264 1.00 0.00 N ATOM 0 H ASN A 40 0.596 -6.065 -4.004 1.00 0.00 H new ATOM 0 HA ASN A 40 2.848 -4.331 -4.779 1.00 0.00 H new ATOM 0 HB2 ASN A 40 2.386 -4.651 -7.123 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.640 -6.234 -6.415 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.441 -6.138 -8.668 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.218 -5.565 -8.873 1.00 0.00 H new ATOM 574 N CYS A 41 1.282 -2.420 -5.128 1.00 0.00 N ATOM 575 CA CYS A 41 0.379 -1.275 -5.120 1.00 0.00 C ATOM 576 C CYS A 41 0.683 -0.334 -6.281 1.00 0.00 C ATOM 577 O CYS A 41 1.593 0.492 -6.203 1.00 0.00 O ATOM 578 CB CYS A 41 0.491 -0.521 -3.794 1.00 0.00 C ATOM 579 SG CYS A 41 -0.645 0.878 -3.642 1.00 0.00 S ATOM 0 H CYS A 41 2.268 -2.179 -5.231 1.00 0.00 H new ATOM 0 HA CYS A 41 -0.640 -1.646 -5.234 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.305 -1.217 -2.976 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.513 -0.160 -3.679 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.477 1.450 -2.487 1.00 0.00 H new ATOM 585 N VAL A 42 -0.083 -0.466 -7.359 1.00 0.00 N ATOM 586 CA VAL A 42 0.105 0.372 -8.538 1.00 0.00 C ATOM 587 C VAL A 42 -0.734 1.642 -8.449 1.00 0.00 C ATOM 588 O VAL A 42 -1.673 1.725 -7.655 1.00 0.00 O ATOM 589 CB VAL A 42 -0.264 -0.384 -9.828 1.00 0.00 C ATOM 590 CG1 VAL A 42 0.511 -1.690 -9.922 1.00 0.00 C ATOM 591 CG2 VAL A 42 -1.763 -0.639 -9.886 1.00 0.00 C ATOM 0 H VAL A 42 -0.840 -1.145 -7.441 1.00 0.00 H new ATOM 0 HA VAL A 42 1.161 0.639 -8.571 1.00 0.00 H new ATOM 0 HB VAL A 42 0.009 0.235 -10.682 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.237 -2.210 -10.840 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.580 -1.479 -9.930 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.271 -2.318 -9.064 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.006 -1.174 -10.804 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.064 -1.238 -9.026 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.295 0.312 -9.869 1.00 0.00 H new ATOM 601 N LEU A 43 -0.390 2.630 -9.267 1.00 0.00 N ATOM 602 CA LEU A 43 -1.112 3.897 -9.282 1.00 0.00 C ATOM 603 C LEU A 43 -1.721 4.161 -10.656 1.00 0.00 C ATOM 604 O LEU A 43 -1.115 3.860 -11.684 1.00 0.00 O ATOM 605 CB LEU A 43 -0.175 5.044 -8.898 1.00 0.00 C ATOM 606 CG LEU A 43 -0.824 6.231 -8.185 1.00 0.00 C ATOM 607 CD1 LEU A 43 0.161 6.882 -7.227 1.00 0.00 C ATOM 608 CD2 LEU A 43 -1.337 7.246 -9.197 1.00 0.00 C ATOM 0 H LEU A 43 0.385 2.578 -9.929 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.920 3.836 -8.553 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.610 4.645 -8.256 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.309 5.410 -9.804 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.672 5.863 -7.607 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.319 7.725 -6.729 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.479 6.153 -6.482 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.029 7.236 -7.783 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.796 8.084 -8.672 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.506 7.608 -9.802 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.077 6.774 -9.843 1.00 0.00 H new ATOM 620 N LYS A 44 -2.923 4.727 -10.665 1.00 0.00 N ATOM 621 CA LYS A 44 -3.614 5.035 -11.911 1.00 0.00 C ATOM 622 C LYS A 44 -4.193 6.446 -11.877 1.00 0.00 C ATOM 623 O LYS A 44 -3.984 7.191 -10.919 1.00 0.00 O ATOM 624 CB LYS A 44 -4.731 4.020 -12.163 1.00 0.00 C ATOM 625 CG LYS A 44 -4.249 2.580 -12.192 1.00 0.00 C ATOM 626 CD LYS A 44 -5.324 1.622 -11.705 1.00 0.00 C ATOM 627 CE LYS A 44 -6.193 1.130 -12.852 1.00 0.00 C ATOM 628 NZ LYS A 44 -5.400 0.386 -13.870 1.00 0.00 N ATOM 0 H LYS A 44 -3.439 4.982 -9.823 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.889 4.978 -12.723 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.488 4.125 -11.386 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.214 4.252 -13.112 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.956 2.314 -13.208 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.361 2.480 -11.568 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.857 0.771 -11.210 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.947 2.120 -10.962 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.979 0.484 -12.461 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.685 1.980 -13.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.018 -0.285 -14.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.994 1.058 -14.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.633 -0.135 -13.399 1.00 0.00 H new ATOM 642 N ASP A 45 -4.922 6.807 -12.927 1.00 0.00 N ATOM 643 CA ASP A 45 -5.534 8.128 -13.016 1.00 0.00 C ATOM 644 C ASP A 45 -6.444 8.387 -11.820 1.00 0.00 C ATOM 645 O ASP A 45 -7.439 7.689 -11.620 1.00 0.00 O ATOM 646 CB ASP A 45 -6.329 8.258 -14.316 1.00 0.00 C ATOM 647 CG ASP A 45 -5.643 7.581 -15.486 1.00 0.00 C ATOM 648 OD1 ASP A 45 -5.769 6.345 -15.614 1.00 0.00 O ATOM 649 OD2 ASP A 45 -4.980 8.287 -16.274 1.00 0.00 O ATOM 0 H ASP A 45 -5.104 6.203 -13.729 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.737 8.872 -13.011 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.319 7.823 -14.178 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -6.474 9.314 -14.545 1.00 0.00 H new ATOM 654 N LYS A 46 -6.098 9.394 -11.026 1.00 0.00 N ATOM 655 CA LYS A 46 -6.883 9.747 -9.849 1.00 0.00 C ATOM 656 C LYS A 46 -7.465 8.501 -9.190 1.00 0.00 C ATOM 657 O LYS A 46 -8.599 8.512 -8.713 1.00 0.00 O ATOM 658 CB LYS A 46 -8.010 10.709 -10.232 1.00 0.00 C ATOM 659 CG LYS A 46 -7.534 12.124 -10.511 1.00 0.00 C ATOM 660 CD LYS A 46 -6.898 12.237 -11.887 1.00 0.00 C ATOM 661 CE LYS A 46 -6.536 13.677 -12.216 1.00 0.00 C ATOM 662 NZ LYS A 46 -6.070 13.824 -13.623 1.00 0.00 N ATOM 0 H LYS A 46 -5.278 9.981 -11.176 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.222 10.238 -9.135 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.519 10.325 -11.116 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.744 10.734 -9.427 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.376 12.813 -10.441 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.813 12.423 -9.750 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.002 11.617 -11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.586 11.852 -12.640 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.404 14.316 -12.052 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.755 14.019 -11.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.833 14.820 -13.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.227 13.234 -13.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.824 13.521 -14.272 1.00 0.00 H new ATOM 676 N ALA A 47 -6.681 7.428 -9.167 1.00 0.00 N ATOM 677 CA ALA A 47 -7.118 6.175 -8.563 1.00 0.00 C ATOM 678 C ALA A 47 -5.940 5.233 -8.340 1.00 0.00 C ATOM 679 O ALA A 47 -4.955 5.270 -9.078 1.00 0.00 O ATOM 680 CB ALA A 47 -8.171 5.509 -9.435 1.00 0.00 C ATOM 0 H ALA A 47 -5.740 7.401 -9.560 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.557 6.402 -7.591 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.489 4.575 -8.972 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.030 6.172 -9.539 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.751 5.302 -10.419 1.00 0.00 H new ATOM 686 N ILE A 48 -6.047 4.391 -7.317 1.00 0.00 N ATOM 687 CA ILE A 48 -4.991 3.440 -6.998 1.00 0.00 C ATOM 688 C ILE A 48 -5.514 2.008 -7.023 1.00 0.00 C ATOM 689 O ILE A 48 -6.723 1.778 -7.023 1.00 0.00 O ATOM 690 CB ILE A 48 -4.375 3.725 -5.615 1.00 0.00 C ATOM 691 CG1 ILE A 48 -5.299 3.217 -4.507 1.00 0.00 C ATOM 692 CG2 ILE A 48 -4.110 5.214 -5.451 1.00 0.00 C ATOM 693 CD1 ILE A 48 -4.783 3.500 -3.113 1.00 0.00 C ATOM 0 H ILE A 48 -6.855 4.349 -6.696 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.221 3.557 -7.761 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.425 3.196 -5.540 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -6.280 3.678 -4.623 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.436 2.142 -4.624 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.675 5.400 -4.469 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.418 5.548 -6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.047 5.763 -5.542 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.489 3.112 -2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.816 3.016 -2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.673 4.576 -2.977 1.00 0.00 H new ATOM 705 N ALA A 49 -4.596 1.048 -7.042 1.00 0.00 N ATOM 706 CA ALA A 49 -4.964 -0.362 -7.062 1.00 0.00 C ATOM 707 C ALA A 49 -3.838 -1.233 -6.517 1.00 0.00 C ATOM 708 O ALA A 49 -2.687 -1.111 -6.936 1.00 0.00 O ATOM 709 CB ALA A 49 -5.328 -0.792 -8.476 1.00 0.00 C ATOM 0 H ALA A 49 -3.591 1.221 -7.044 1.00 0.00 H new ATOM 0 HA ALA A 49 -5.833 -0.493 -6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.601 -1.847 -8.477 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.171 -0.199 -8.831 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.473 -0.638 -9.135 1.00 0.00 H new ATOM 715 N GLY A 50 -4.176 -2.111 -5.578 1.00 0.00 N ATOM 716 CA GLY A 50 -3.181 -2.989 -4.990 1.00 0.00 C ATOM 717 C GLY A 50 -3.796 -4.222 -4.359 1.00 0.00 C ATOM 718 O GLY A 50 -4.962 -4.212 -3.964 1.00 0.00 O ATOM 0 H GLY A 50 -5.121 -2.230 -5.214 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.471 -3.294 -5.758 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.618 -2.441 -4.235 1.00 0.00 H new ATOM 722 N THR A 51 -3.010 -5.291 -4.264 1.00 0.00 N ATOM 723 CA THR A 51 -3.485 -6.539 -3.680 1.00 0.00 C ATOM 724 C THR A 51 -2.715 -6.878 -2.408 1.00 0.00 C ATOM 725 O THR A 51 -1.484 -6.923 -2.409 1.00 0.00 O ATOM 726 CB THR A 51 -3.355 -7.709 -4.673 1.00 0.00 C ATOM 727 OG1 THR A 51 -1.977 -8.063 -4.836 1.00 0.00 O ATOM 728 CG2 THR A 51 -3.953 -7.342 -6.022 1.00 0.00 C ATOM 0 H THR A 51 -2.042 -5.317 -4.584 1.00 0.00 H new ATOM 0 HA THR A 51 -4.538 -6.394 -3.437 1.00 0.00 H new ATOM 0 HB THR A 51 -3.903 -8.561 -4.270 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.506 -7.340 -5.300 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.850 -8.184 -6.707 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.009 -7.102 -5.899 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.430 -6.477 -6.429 1.00 0.00 H new ATOM 736 N VAL A 52 -3.447 -7.117 -1.325 1.00 0.00 N ATOM 737 CA VAL A 52 -2.832 -7.455 -0.046 1.00 0.00 C ATOM 738 C VAL A 52 -2.912 -8.953 0.223 1.00 0.00 C ATOM 739 O VAL A 52 -3.944 -9.583 -0.006 1.00 0.00 O ATOM 740 CB VAL A 52 -3.503 -6.699 1.116 1.00 0.00 C ATOM 741 CG1 VAL A 52 -2.939 -7.162 2.451 1.00 0.00 C ATOM 742 CG2 VAL A 52 -3.329 -5.197 0.946 1.00 0.00 C ATOM 0 H VAL A 52 -4.466 -7.083 -1.307 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.786 -7.156 -0.108 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.570 -6.921 1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.425 -6.617 3.260 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.121 -8.230 2.572 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.866 -6.972 2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.809 -4.679 1.776 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.267 -4.953 0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.786 -4.882 0.008 1.00 0.00 H new ATOM 752 N LYS A 53 -1.814 -9.520 0.712 1.00 0.00 N ATOM 753 CA LYS A 53 -1.758 -10.945 1.015 1.00 0.00 C ATOM 754 C LYS A 53 -1.909 -11.189 2.513 1.00 0.00 C ATOM 755 O LYS A 53 -1.441 -10.397 3.331 1.00 0.00 O ATOM 756 CB LYS A 53 -0.437 -11.541 0.522 1.00 0.00 C ATOM 757 CG LYS A 53 -0.541 -13.003 0.123 1.00 0.00 C ATOM 758 CD LYS A 53 -1.208 -13.165 -1.233 1.00 0.00 C ATOM 759 CE LYS A 53 -0.785 -14.459 -1.911 1.00 0.00 C ATOM 760 NZ LYS A 53 0.606 -14.380 -2.438 1.00 0.00 N ATOM 0 H LYS A 53 -0.950 -9.014 0.907 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.585 -11.433 0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.084 -10.964 -0.333 1.00 0.00 H new ATOM 0 HB3 LYS A 53 0.313 -11.440 1.306 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.455 -13.445 0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.110 -13.547 0.877 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.291 -13.154 -1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.951 -12.318 -1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.858 -15.282 -1.200 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.471 -14.682 -2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.781 -15.182 -3.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.730 -13.489 -2.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.280 -14.414 -1.646 1.00 0.00 H new ATOM 774 N VAL A 54 -2.565 -12.290 2.865 1.00 0.00 N ATOM 775 CA VAL A 54 -2.776 -12.639 4.265 1.00 0.00 C ATOM 776 C VAL A 54 -2.643 -14.142 4.482 1.00 0.00 C ATOM 777 O VAL A 54 -2.750 -14.927 3.540 1.00 0.00 O ATOM 778 CB VAL A 54 -4.163 -12.182 4.755 1.00 0.00 C ATOM 779 CG1 VAL A 54 -4.241 -10.663 4.796 1.00 0.00 C ATOM 780 CG2 VAL A 54 -5.257 -12.756 3.868 1.00 0.00 C ATOM 0 H VAL A 54 -2.959 -12.956 2.200 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.007 -12.122 4.839 1.00 0.00 H new ATOM 0 HB VAL A 54 -4.313 -12.557 5.767 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -5.228 -10.359 5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.481 -10.278 5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.070 -10.263 3.797 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.230 -12.423 4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.113 -12.412 2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.213 -13.845 3.895 1.00 0.00 H new ATOM 790 N GLN A 55 -2.409 -14.536 5.730 1.00 0.00 N ATOM 791 CA GLN A 55 -2.261 -15.946 6.071 1.00 0.00 C ATOM 792 C GLN A 55 -3.615 -16.577 6.376 1.00 0.00 C ATOM 793 O GLN A 55 -4.415 -16.021 7.128 1.00 0.00 O ATOM 794 CB GLN A 55 -1.328 -16.106 7.272 1.00 0.00 C ATOM 795 CG GLN A 55 0.142 -15.925 6.930 1.00 0.00 C ATOM 796 CD GLN A 55 1.062 -16.611 7.921 1.00 0.00 C ATOM 797 OE1 GLN A 55 0.877 -16.503 9.134 1.00 0.00 O ATOM 798 NE2 GLN A 55 2.059 -17.322 7.409 1.00 0.00 N ATOM 0 H GLN A 55 -2.318 -13.899 6.521 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.827 -16.458 5.212 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.606 -15.381 8.037 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.472 -17.096 7.704 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.330 -16.321 5.932 1.00 0.00 H new ATOM 0 HG3 GLN A 55 0.376 -14.861 6.900 1.00 0.00 H new ATOM 0 HE21 GLN A 55 2.174 -17.384 6.397 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.710 -17.807 8.027 1.00 0.00 H new ATOM 807 N ASN A 56 -3.866 -17.742 5.787 1.00 0.00 N ATOM 808 CA ASN A 56 -5.124 -18.449 5.995 1.00 0.00 C ATOM 809 C ASN A 56 -5.119 -19.187 7.330 1.00 0.00 C ATOM 810 O ASN A 56 -5.315 -20.402 7.382 1.00 0.00 O ATOM 811 CB ASN A 56 -5.372 -19.438 4.854 1.00 0.00 C ATOM 812 CG ASN A 56 -5.568 -18.744 3.520 1.00 0.00 C ATOM 813 OD1 ASN A 56 -6.697 -18.562 3.062 1.00 0.00 O ATOM 814 ND2 ASN A 56 -4.467 -18.353 2.889 1.00 0.00 N ATOM 0 H ASN A 56 -3.214 -18.216 5.162 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.928 -17.713 6.010 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.529 -20.125 4.783 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.253 -20.038 5.082 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.536 -17.881 1.987 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.552 -18.525 3.306 1.00 0.00 H new ATOM 821 N LEU A 57 -4.894 -18.445 8.409 1.00 0.00 N ATOM 822 CA LEU A 57 -4.864 -19.028 9.746 1.00 0.00 C ATOM 823 C LEU A 57 -6.250 -19.513 10.160 1.00 0.00 C ATOM 824 O LEU A 57 -6.431 -20.678 10.511 1.00 0.00 O ATOM 825 CB LEU A 57 -4.346 -18.004 10.758 1.00 0.00 C ATOM 826 CG LEU A 57 -3.058 -17.275 10.376 1.00 0.00 C ATOM 827 CD1 LEU A 57 -2.786 -16.130 11.340 1.00 0.00 C ATOM 828 CD2 LEU A 57 -1.884 -18.243 10.349 1.00 0.00 C ATOM 0 H LEU A 57 -4.730 -17.439 8.384 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.190 -19.885 9.727 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.125 -17.260 10.923 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.184 -18.512 11.708 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.182 -16.859 9.376 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.865 -15.623 11.052 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.615 -15.423 11.308 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.683 -16.523 12.352 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.976 -17.706 10.075 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.758 -18.690 11.335 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.076 -19.028 9.617 1.00 0.00 H new ATOM 840 N ALA A 58 -7.225 -18.611 10.114 1.00 0.00 N ATOM 841 CA ALA A 58 -8.595 -18.948 10.480 1.00 0.00 C ATOM 842 C ALA A 58 -9.466 -19.124 9.241 1.00 0.00 C ATOM 843 O ALA A 58 -9.217 -18.512 8.202 1.00 0.00 O ATOM 844 CB ALA A 58 -9.177 -17.876 11.389 1.00 0.00 C ATOM 0 H ALA A 58 -7.091 -17.641 9.827 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.579 -19.896 11.018 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.201 -18.141 11.655 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.575 -17.801 12.295 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.173 -16.917 10.870 1.00 0.00 H new ATOM 850 N PHE A 59 -10.490 -19.964 9.358 1.00 0.00 N ATOM 851 CA PHE A 59 -11.398 -20.222 8.246 1.00 0.00 C ATOM 852 C PHE A 59 -11.667 -18.944 7.456 1.00 0.00 C ATOM 853 O PHE A 59 -11.382 -18.869 6.262 1.00 0.00 O ATOM 854 CB PHE A 59 -12.715 -20.804 8.761 1.00 0.00 C ATOM 855 CG PHE A 59 -13.354 -19.979 9.841 1.00 0.00 C ATOM 856 CD1 PHE A 59 -12.936 -20.094 11.157 1.00 0.00 C ATOM 857 CD2 PHE A 59 -14.372 -19.089 9.541 1.00 0.00 C ATOM 858 CE1 PHE A 59 -13.522 -19.336 12.153 1.00 0.00 C ATOM 859 CE2 PHE A 59 -14.962 -18.328 10.533 1.00 0.00 C ATOM 860 CZ PHE A 59 -14.536 -18.452 11.841 1.00 0.00 C ATOM 0 H PHE A 59 -10.711 -20.477 10.211 1.00 0.00 H new ATOM 0 HA PHE A 59 -10.924 -20.945 7.582 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -13.411 -20.899 7.928 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -12.534 -21.809 9.142 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -12.143 -20.784 11.407 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -14.709 -18.988 8.520 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -13.187 -19.435 13.175 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -15.755 -17.638 10.286 1.00 0.00 H new ATOM 0 HZ PHE A 59 -14.995 -17.859 12.618 1.00 0.00 H new ATOM 870 N GLU A 60 -12.220 -17.942 8.133 1.00 0.00 N ATOM 871 CA GLU A 60 -12.529 -16.669 7.495 1.00 0.00 C ATOM 872 C GLU A 60 -11.649 -15.553 8.051 1.00 0.00 C ATOM 873 O GLU A 60 -11.030 -15.702 9.105 1.00 0.00 O ATOM 874 CB GLU A 60 -14.005 -16.318 7.695 1.00 0.00 C ATOM 875 CG GLU A 60 -14.924 -16.930 6.652 1.00 0.00 C ATOM 876 CD GLU A 60 -16.349 -17.082 7.146 1.00 0.00 C ATOM 877 OE1 GLU A 60 -17.104 -16.088 7.095 1.00 0.00 O ATOM 878 OE2 GLU A 60 -16.710 -18.194 7.584 1.00 0.00 O ATOM 0 H GLU A 60 -12.463 -17.988 9.123 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.328 -16.768 6.428 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -14.318 -16.653 8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.118 -15.234 7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -14.918 -16.307 5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -14.538 -17.907 6.362 1.00 0.00 H new ATOM 885 N LYS A 61 -11.599 -14.435 7.335 1.00 0.00 N ATOM 886 CA LYS A 61 -10.796 -13.292 7.756 1.00 0.00 C ATOM 887 C LYS A 61 -11.431 -11.983 7.297 1.00 0.00 C ATOM 888 O LYS A 61 -12.491 -11.981 6.669 1.00 0.00 O ATOM 889 CB LYS A 61 -9.377 -13.406 7.196 1.00 0.00 C ATOM 890 CG LYS A 61 -9.325 -13.479 5.680 1.00 0.00 C ATOM 891 CD LYS A 61 -8.133 -14.291 5.200 1.00 0.00 C ATOM 892 CE LYS A 61 -8.342 -15.779 5.436 1.00 0.00 C ATOM 893 NZ LYS A 61 -9.050 -16.427 4.297 1.00 0.00 N ATOM 0 H LYS A 61 -12.105 -14.296 6.460 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.752 -13.292 8.845 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.794 -12.548 7.530 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.902 -14.295 7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.246 -13.926 5.305 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.269 -12.471 5.268 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.971 -14.109 4.138 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.234 -13.962 5.720 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.376 -16.262 5.586 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.916 -15.925 6.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.887 -16.932 4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -9.346 -15.701 3.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.411 -17.101 3.830 1.00 0.00 H new ATOM 907 N THR A 62 -10.777 -10.870 7.614 1.00 0.00 N ATOM 908 CA THR A 62 -11.277 -9.555 7.235 1.00 0.00 C ATOM 909 C THR A 62 -10.137 -8.631 6.824 1.00 0.00 C ATOM 910 O THR A 62 -9.222 -8.372 7.606 1.00 0.00 O ATOM 911 CB THR A 62 -12.065 -8.900 8.385 1.00 0.00 C ATOM 912 OG1 THR A 62 -13.180 -9.722 8.745 1.00 0.00 O ATOM 913 CG2 THR A 62 -12.555 -7.517 7.986 1.00 0.00 C ATOM 0 H THR A 62 -9.899 -10.854 8.133 1.00 0.00 H new ATOM 0 HA THR A 62 -11.945 -9.704 6.386 1.00 0.00 H new ATOM 0 HB THR A 62 -11.398 -8.798 9.241 1.00 0.00 H new ATOM 0 HG1 THR A 62 -13.675 -9.299 9.478 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.109 -7.074 8.814 1.00 0.00 H new ATOM 0 HG22 THR A 62 -11.701 -6.885 7.741 1.00 0.00 H new ATOM 0 HG23 THR A 62 -13.207 -7.599 7.116 1.00 0.00 H new ATOM 921 N VAL A 63 -10.198 -8.134 5.592 1.00 0.00 N ATOM 922 CA VAL A 63 -9.171 -7.236 5.078 1.00 0.00 C ATOM 923 C VAL A 63 -9.778 -5.920 4.605 1.00 0.00 C ATOM 924 O VAL A 63 -10.720 -5.907 3.813 1.00 0.00 O ATOM 925 CB VAL A 63 -8.395 -7.879 3.913 1.00 0.00 C ATOM 926 CG1 VAL A 63 -7.391 -6.895 3.332 1.00 0.00 C ATOM 927 CG2 VAL A 63 -7.701 -9.152 4.373 1.00 0.00 C ATOM 0 H VAL A 63 -10.948 -8.338 4.932 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.482 -7.040 5.900 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.105 -8.143 3.129 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.852 -7.367 2.510 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.917 -6.014 2.963 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.684 -6.597 4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.158 -9.593 3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.002 -8.916 5.176 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.445 -9.861 4.736 1.00 0.00 H new ATOM 937 N LYS A 64 -9.232 -4.813 5.096 1.00 0.00 N ATOM 938 CA LYS A 64 -9.717 -3.490 4.723 1.00 0.00 C ATOM 939 C LYS A 64 -8.576 -2.478 4.700 1.00 0.00 C ATOM 940 O LYS A 64 -7.691 -2.507 5.556 1.00 0.00 O ATOM 941 CB LYS A 64 -10.802 -3.028 5.698 1.00 0.00 C ATOM 942 CG LYS A 64 -12.128 -3.749 5.518 1.00 0.00 C ATOM 943 CD LYS A 64 -13.029 -3.567 6.728 1.00 0.00 C ATOM 944 CE LYS A 64 -14.274 -4.437 6.631 1.00 0.00 C ATOM 945 NZ LYS A 64 -15.033 -4.464 7.911 1.00 0.00 N ATOM 0 H LYS A 64 -8.453 -4.806 5.754 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.141 -3.556 3.721 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.451 -3.180 6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -10.960 -1.957 5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.631 -3.371 4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.947 -4.811 5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.478 -3.818 7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.321 -2.520 6.812 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -14.918 -4.062 5.835 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.987 -5.452 6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -15.873 -5.067 7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.427 -4.845 8.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -15.329 -3.499 8.159 1.00 0.00 H new ATOM 959 N ILE A 65 -8.603 -1.584 3.718 1.00 0.00 N ATOM 960 CA ILE A 65 -7.572 -0.562 3.586 1.00 0.00 C ATOM 961 C ILE A 65 -8.082 0.797 4.055 1.00 0.00 C ATOM 962 O ILE A 65 -9.136 1.260 3.619 1.00 0.00 O ATOM 963 CB ILE A 65 -7.082 -0.440 2.131 1.00 0.00 C ATOM 964 CG1 ILE A 65 -6.511 -1.775 1.649 1.00 0.00 C ATOM 965 CG2 ILE A 65 -6.040 0.662 2.014 1.00 0.00 C ATOM 966 CD1 ILE A 65 -5.172 -2.117 2.264 1.00 0.00 C ATOM 0 H ILE A 65 -9.328 -1.546 3.002 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.738 -0.872 4.216 1.00 0.00 H new ATOM 0 HB ILE A 65 -7.930 -0.179 1.498 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.221 -2.569 1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.407 -1.746 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.703 0.736 0.980 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.478 1.611 2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.191 0.429 2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.828 -3.076 1.877 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.447 -1.343 2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.274 -2.179 3.347 1.00 0.00 H new ATOM 978 N ARG A 66 -7.326 1.432 4.944 1.00 0.00 N ATOM 979 CA ARG A 66 -7.701 2.738 5.472 1.00 0.00 C ATOM 980 C ARG A 66 -6.723 3.813 5.007 1.00 0.00 C ATOM 981 O ARG A 66 -5.566 3.838 5.427 1.00 0.00 O ATOM 982 CB ARG A 66 -7.746 2.701 7.001 1.00 0.00 C ATOM 983 CG ARG A 66 -8.653 3.758 7.609 1.00 0.00 C ATOM 984 CD ARG A 66 -8.794 3.573 9.112 1.00 0.00 C ATOM 985 NE ARG A 66 -9.747 2.517 9.445 1.00 0.00 N ATOM 986 CZ ARG A 66 -10.263 2.349 10.658 1.00 0.00 C ATOM 987 NH1 ARG A 66 -9.919 3.163 11.647 1.00 0.00 N ATOM 988 NH2 ARG A 66 -11.124 1.365 10.883 1.00 0.00 N ATOM 0 H ARG A 66 -6.450 1.063 5.314 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.693 2.984 5.093 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.084 1.716 7.322 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.736 2.834 7.389 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.250 4.749 7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.636 3.708 7.141 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.821 3.332 9.541 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.118 4.510 9.564 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.032 1.874 8.706 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.257 3.920 11.477 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.317 3.032 12.577 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.390 0.737 10.125 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.520 1.237 11.814 1.00 0.00 H new ATOM 1002 N MET A 67 -7.195 4.700 4.137 1.00 0.00 N ATOM 1003 CA MET A 67 -6.362 5.778 3.616 1.00 0.00 C ATOM 1004 C MET A 67 -6.981 7.138 3.920 1.00 0.00 C ATOM 1005 O MET A 67 -8.183 7.340 3.740 1.00 0.00 O ATOM 1006 CB MET A 67 -6.169 5.617 2.107 1.00 0.00 C ATOM 1007 CG MET A 67 -5.327 6.718 1.482 1.00 0.00 C ATOM 1008 SD MET A 67 -4.373 6.142 0.064 1.00 0.00 S ATOM 1009 CE MET A 67 -5.599 6.252 -1.236 1.00 0.00 C ATOM 0 H MET A 67 -8.150 4.694 3.778 1.00 0.00 H new ATOM 0 HA MET A 67 -5.390 5.724 4.107 1.00 0.00 H new ATOM 0 HB2 MET A 67 -5.698 4.654 1.910 1.00 0.00 H new ATOM 0 HB3 MET A 67 -7.146 5.599 1.624 1.00 0.00 H new ATOM 0 HG2 MET A 67 -5.978 7.535 1.170 1.00 0.00 H new ATOM 0 HG3 MET A 67 -4.647 7.121 2.233 1.00 0.00 H new ATOM 0 HE1 MET A 67 -5.136 6.646 -2.141 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.005 5.261 -1.438 1.00 0.00 H new ATOM 0 HE3 MET A 67 -6.404 6.916 -0.922 1.00 0.00 H new ATOM 1019 N THR A 68 -6.153 8.071 4.380 1.00 0.00 N ATOM 1020 CA THR A 68 -6.619 9.412 4.710 1.00 0.00 C ATOM 1021 C THR A 68 -6.031 10.448 3.759 1.00 0.00 C ATOM 1022 O THR A 68 -4.935 10.266 3.229 1.00 0.00 O ATOM 1023 CB THR A 68 -6.254 9.794 6.157 1.00 0.00 C ATOM 1024 OG1 THR A 68 -6.897 11.021 6.517 1.00 0.00 O ATOM 1025 CG2 THR A 68 -4.748 9.940 6.314 1.00 0.00 C ATOM 0 H THR A 68 -5.156 7.922 4.532 1.00 0.00 H new ATOM 0 HA THR A 68 -7.704 9.403 4.607 1.00 0.00 H new ATOM 0 HB THR A 68 -6.597 8.997 6.817 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.934 11.097 7.493 1.00 0.00 H new ATOM 0 HG21 THR A 68 -4.514 10.210 7.344 1.00 0.00 H new ATOM 0 HG22 THR A 68 -4.263 8.995 6.067 1.00 0.00 H new ATOM 0 HG23 THR A 68 -4.386 10.719 5.643 1.00 0.00 H new ATOM 1033 N PHE A 69 -6.766 11.535 3.547 1.00 0.00 N ATOM 1034 CA PHE A 69 -6.317 12.600 2.659 1.00 0.00 C ATOM 1035 C PHE A 69 -6.256 13.934 3.398 1.00 0.00 C ATOM 1036 O PHE A 69 -6.146 14.993 2.780 1.00 0.00 O ATOM 1037 CB PHE A 69 -7.250 12.715 1.452 1.00 0.00 C ATOM 1038 CG PHE A 69 -7.442 11.419 0.718 1.00 0.00 C ATOM 1039 CD1 PHE A 69 -8.231 10.414 1.253 1.00 0.00 C ATOM 1040 CD2 PHE A 69 -6.834 11.206 -0.509 1.00 0.00 C ATOM 1041 CE1 PHE A 69 -8.409 9.220 0.580 1.00 0.00 C ATOM 1042 CE2 PHE A 69 -7.008 10.014 -1.187 1.00 0.00 C ATOM 1043 CZ PHE A 69 -7.797 9.021 -0.643 1.00 0.00 C ATOM 0 H PHE A 69 -7.675 11.701 3.978 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.315 12.350 2.311 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.221 13.081 1.787 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.849 13.458 0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -8.713 10.565 2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.217 11.980 -0.941 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.025 8.444 1.009 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.527 9.860 -2.142 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.936 8.090 -1.172 1.00 0.00 H new ATOM 1053 N ASP A 70 -6.328 13.874 4.723 1.00 0.00 N ATOM 1054 CA ASP A 70 -6.281 15.076 5.547 1.00 0.00 C ATOM 1055 C ASP A 70 -5.321 14.894 6.718 1.00 0.00 C ATOM 1056 O ASP A 70 -5.742 14.799 7.872 1.00 0.00 O ATOM 1057 CB ASP A 70 -7.678 15.420 6.065 1.00 0.00 C ATOM 1058 CG ASP A 70 -8.594 15.927 4.968 1.00 0.00 C ATOM 1059 OD1 ASP A 70 -8.512 15.402 3.838 1.00 0.00 O ATOM 1060 OD2 ASP A 70 -9.391 16.850 5.240 1.00 0.00 O ATOM 0 H ASP A 70 -6.419 13.005 5.250 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.919 15.897 4.928 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.120 14.536 6.524 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.597 16.177 6.845 1.00 0.00 H new ATOM 1065 N THR A 71 -4.027 14.846 6.415 1.00 0.00 N ATOM 1066 CA THR A 71 -3.007 14.673 7.442 1.00 0.00 C ATOM 1067 C THR A 71 -3.520 13.806 8.586 1.00 0.00 C ATOM 1068 O THR A 71 -3.349 14.144 9.757 1.00 0.00 O ATOM 1069 CB THR A 71 -2.545 16.029 8.007 1.00 0.00 C ATOM 1070 OG1 THR A 71 -2.243 16.930 6.936 1.00 0.00 O ATOM 1071 CG2 THR A 71 -1.319 15.857 8.892 1.00 0.00 C ATOM 0 H THR A 71 -3.661 14.925 5.466 1.00 0.00 H new ATOM 0 HA THR A 71 -2.160 14.178 6.967 1.00 0.00 H new ATOM 0 HB THR A 71 -3.355 16.441 8.610 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.051 16.418 6.122 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.011 16.828 9.280 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.560 15.194 9.723 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.506 15.425 8.308 1.00 0.00 H new ATOM 1079 N TRP A 72 -4.149 12.689 8.239 1.00 0.00 N ATOM 1080 CA TRP A 72 -4.686 11.773 9.239 1.00 0.00 C ATOM 1081 C TRP A 72 -5.769 12.450 10.071 1.00 0.00 C ATOM 1082 O TRP A 72 -5.740 12.405 11.301 1.00 0.00 O ATOM 1083 CB TRP A 72 -3.567 11.267 10.150 1.00 0.00 C ATOM 1084 CG TRP A 72 -2.623 10.326 9.465 1.00 0.00 C ATOM 1085 CD1 TRP A 72 -1.372 10.615 8.999 1.00 0.00 C ATOM 1086 CD2 TRP A 72 -2.855 8.945 9.166 1.00 0.00 C ATOM 1087 NE1 TRP A 72 -0.812 9.497 8.429 1.00 0.00 N ATOM 1088 CE2 TRP A 72 -1.701 8.459 8.519 1.00 0.00 C ATOM 1089 CE3 TRP A 72 -3.924 8.071 9.383 1.00 0.00 C ATOM 1090 CZ2 TRP A 72 -1.590 7.140 8.089 1.00 0.00 C ATOM 1091 CZ3 TRP A 72 -3.811 6.762 8.955 1.00 0.00 C ATOM 1092 CH2 TRP A 72 -2.652 6.306 8.315 1.00 0.00 C ATOM 0 H TRP A 72 -4.300 12.396 7.274 1.00 0.00 H new ATOM 0 HA TRP A 72 -5.131 10.926 8.718 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -3.005 12.120 10.532 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -4.008 10.765 11.011 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -0.893 11.581 9.068 1.00 0.00 H new ATOM 0 HE1 TRP A 72 0.115 9.448 8.007 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -4.822 8.413 9.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.697 6.787 7.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -4.631 6.078 9.117 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.595 5.277 7.993 1.00 0.00 H new ATOM 1103 N LYS A 73 -6.725 13.077 9.394 1.00 0.00 N ATOM 1104 CA LYS A 73 -7.819 13.763 10.071 1.00 0.00 C ATOM 1105 C LYS A 73 -9.164 13.159 9.681 1.00 0.00 C ATOM 1106 O LYS A 73 -10.049 12.996 10.521 1.00 0.00 O ATOM 1107 CB LYS A 73 -7.801 15.255 9.731 1.00 0.00 C ATOM 1108 CG LYS A 73 -6.655 16.013 10.380 1.00 0.00 C ATOM 1109 CD LYS A 73 -7.026 17.461 10.650 1.00 0.00 C ATOM 1110 CE LYS A 73 -6.891 18.314 9.398 1.00 0.00 C ATOM 1111 NZ LYS A 73 -5.465 18.586 9.065 1.00 0.00 N ATOM 0 H LYS A 73 -6.764 13.124 8.376 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.682 13.639 11.145 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.736 15.372 8.649 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.745 15.702 10.044 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.380 15.527 11.316 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.780 15.976 9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.051 17.513 11.018 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.385 17.862 11.435 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.370 17.808 8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.417 19.258 9.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.405 19.426 8.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.930 18.755 9.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.063 17.767 8.566 1.00 0.00 H new ATOM 1125 N SER A 74 -9.310 12.827 8.402 1.00 0.00 N ATOM 1126 CA SER A 74 -10.548 12.242 7.900 1.00 0.00 C ATOM 1127 C SER A 74 -10.261 11.011 7.046 1.00 0.00 C ATOM 1128 O SER A 74 -9.967 11.123 5.855 1.00 0.00 O ATOM 1129 CB SER A 74 -11.329 13.273 7.084 1.00 0.00 C ATOM 1130 OG SER A 74 -12.602 12.772 6.713 1.00 0.00 O ATOM 0 H SER A 74 -8.586 12.953 7.695 1.00 0.00 H new ATOM 0 HA SER A 74 -11.149 11.935 8.756 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.450 14.186 7.666 1.00 0.00 H new ATOM 0 HB3 SER A 74 -10.764 13.537 6.190 1.00 0.00 H new ATOM 0 HG SER A 74 -13.082 13.450 6.194 1.00 0.00 H new ATOM 1136 N TYR A 75 -10.347 9.838 7.662 1.00 0.00 N ATOM 1137 CA TYR A 75 -10.094 8.585 6.959 1.00 0.00 C ATOM 1138 C TYR A 75 -11.394 7.823 6.719 1.00 0.00 C ATOM 1139 O TYR A 75 -12.418 8.104 7.343 1.00 0.00 O ATOM 1140 CB TYR A 75 -9.121 7.716 7.758 1.00 0.00 C ATOM 1141 CG TYR A 75 -9.546 7.490 9.191 1.00 0.00 C ATOM 1142 CD1 TYR A 75 -10.747 6.856 9.488 1.00 0.00 C ATOM 1143 CD2 TYR A 75 -8.749 7.911 10.248 1.00 0.00 C ATOM 1144 CE1 TYR A 75 -11.140 6.648 10.796 1.00 0.00 C ATOM 1145 CE2 TYR A 75 -9.134 7.706 11.559 1.00 0.00 C ATOM 1146 CZ TYR A 75 -10.330 7.074 11.827 1.00 0.00 C ATOM 1147 OH TYR A 75 -10.718 6.869 13.132 1.00 0.00 O ATOM 0 H TYR A 75 -10.590 9.728 8.647 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.650 8.823 5.993 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -9.018 6.751 7.262 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.137 8.185 7.750 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -11.384 6.520 8.683 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -7.812 8.407 10.041 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -12.077 6.154 11.010 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.502 8.039 12.369 1.00 0.00 H new ATOM 0 HH TYR A 75 -10.035 7.227 13.737 1.00 0.00 H new ATOM 1157 N THR A 76 -11.345 6.856 5.808 1.00 0.00 N ATOM 1158 CA THR A 76 -12.517 6.053 5.483 1.00 0.00 C ATOM 1159 C THR A 76 -12.140 4.591 5.270 1.00 0.00 C ATOM 1160 O THR A 76 -11.145 4.286 4.613 1.00 0.00 O ATOM 1161 CB THR A 76 -13.225 6.578 4.220 1.00 0.00 C ATOM 1162 OG1 THR A 76 -13.508 7.974 4.362 1.00 0.00 O ATOM 1163 CG2 THR A 76 -14.518 5.816 3.968 1.00 0.00 C ATOM 0 H THR A 76 -10.506 6.610 5.282 1.00 0.00 H new ATOM 0 HA THR A 76 -13.198 6.130 6.331 1.00 0.00 H new ATOM 0 HB THR A 76 -12.561 6.427 3.369 1.00 0.00 H new ATOM 0 HG1 THR A 76 -13.957 8.301 3.554 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.000 6.204 3.071 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.296 4.758 3.831 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.185 5.939 4.821 1.00 0.00 H new ATOM 1171 N ASP A 77 -12.941 3.691 5.829 1.00 0.00 N ATOM 1172 CA ASP A 77 -12.692 2.260 5.699 1.00 0.00 C ATOM 1173 C ASP A 77 -13.213 1.737 4.364 1.00 0.00 C ATOM 1174 O ASP A 77 -14.405 1.834 4.069 1.00 0.00 O ATOM 1175 CB ASP A 77 -13.351 1.499 6.850 1.00 0.00 C ATOM 1176 CG ASP A 77 -12.656 0.185 7.149 1.00 0.00 C ATOM 1177 OD1 ASP A 77 -11.603 -0.083 6.532 1.00 0.00 O ATOM 1178 OD2 ASP A 77 -13.164 -0.575 7.999 1.00 0.00 O ATOM 0 H ASP A 77 -13.769 3.927 6.377 1.00 0.00 H new ATOM 0 HA ASP A 77 -11.615 2.099 5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.344 2.122 7.744 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -14.395 1.306 6.604 1.00 0.00 H new ATOM 1183 N PHE A 78 -12.312 1.184 3.558 1.00 0.00 N ATOM 1184 CA PHE A 78 -12.680 0.648 2.253 1.00 0.00 C ATOM 1185 C PHE A 78 -12.561 -0.873 2.237 1.00 0.00 C ATOM 1186 O PHE A 78 -11.503 -1.442 2.507 1.00 0.00 O ATOM 1187 CB PHE A 78 -11.794 1.252 1.162 1.00 0.00 C ATOM 1188 CG PHE A 78 -11.624 2.739 1.282 1.00 0.00 C ATOM 1189 CD1 PHE A 78 -12.711 3.587 1.146 1.00 0.00 C ATOM 1190 CD2 PHE A 78 -10.377 3.290 1.531 1.00 0.00 C ATOM 1191 CE1 PHE A 78 -12.559 4.956 1.256 1.00 0.00 C ATOM 1192 CE2 PHE A 78 -10.219 4.658 1.643 1.00 0.00 C ATOM 1193 CZ PHE A 78 -11.311 5.493 1.504 1.00 0.00 C ATOM 0 H PHE A 78 -11.322 1.096 3.786 1.00 0.00 H new ATOM 0 HA PHE A 78 -13.718 0.916 2.057 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -10.813 0.778 1.198 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -12.224 1.021 0.187 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -13.689 3.173 0.952 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -9.519 2.643 1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.415 5.605 1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -9.242 5.075 1.839 1.00 0.00 H new ATOM 0 HZ PHE A 78 -11.189 6.563 1.589 1.00 0.00 H new ATOM 1203 N PRO A 79 -13.673 -1.550 1.913 1.00 0.00 N ATOM 1204 CA PRO A 79 -13.721 -3.014 1.853 1.00 0.00 C ATOM 1205 C PRO A 79 -12.921 -3.572 0.681 1.00 0.00 C ATOM 1206 O PRO A 79 -13.017 -3.074 -0.441 1.00 0.00 O ATOM 1207 CB PRO A 79 -15.211 -3.313 1.676 1.00 0.00 C ATOM 1208 CG PRO A 79 -15.770 -2.089 1.037 1.00 0.00 C ATOM 1209 CD PRO A 79 -14.970 -0.937 1.579 1.00 0.00 C ATOM 0 HA PRO A 79 -13.283 -3.473 2.739 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -15.367 -4.192 1.051 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -15.691 -3.514 2.634 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -15.689 -2.144 -0.049 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -16.828 -1.974 1.272 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.861 -0.142 0.842 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.444 -0.496 2.456 1.00 0.00 H new ATOM 1217 N CYS A 80 -12.135 -4.609 0.948 1.00 0.00 N ATOM 1218 CA CYS A 80 -11.318 -5.235 -0.086 1.00 0.00 C ATOM 1219 C CYS A 80 -12.111 -6.303 -0.832 1.00 0.00 C ATOM 1220 O CYS A 80 -13.247 -6.611 -0.472 1.00 0.00 O ATOM 1221 CB CYS A 80 -10.063 -5.852 0.531 1.00 0.00 C ATOM 1222 SG CYS A 80 -8.686 -4.695 0.718 1.00 0.00 S ATOM 0 H CYS A 80 -12.046 -5.034 1.871 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.022 -4.464 -0.798 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -10.316 -6.260 1.509 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -9.739 -6.688 -0.089 1.00 0.00 H new ATOM 0 HG CYS A 80 -7.575 -5.359 0.838 1.00 0.00 H new ATOM 1228 N GLN A 81 -11.505 -6.862 -1.875 1.00 0.00 N ATOM 1229 CA GLN A 81 -12.156 -7.894 -2.673 1.00 0.00 C ATOM 1230 C GLN A 81 -11.349 -9.188 -2.653 1.00 0.00 C ATOM 1231 O GLN A 81 -10.282 -9.256 -2.043 1.00 0.00 O ATOM 1232 CB GLN A 81 -12.339 -7.415 -4.114 1.00 0.00 C ATOM 1233 CG GLN A 81 -13.327 -6.268 -4.253 1.00 0.00 C ATOM 1234 CD GLN A 81 -14.030 -6.263 -5.596 1.00 0.00 C ATOM 1235 OE1 GLN A 81 -15.253 -6.380 -5.669 1.00 0.00 O ATOM 1236 NE2 GLN A 81 -13.258 -6.126 -6.668 1.00 0.00 N ATOM 0 H GLN A 81 -10.565 -6.618 -2.187 1.00 0.00 H new ATOM 0 HA GLN A 81 -13.135 -8.091 -2.236 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -11.373 -7.101 -4.509 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -12.677 -8.251 -4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -14.070 -6.335 -3.458 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -12.802 -5.323 -4.119 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -12.248 -6.032 -6.561 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.675 -6.115 -7.599 1.00 0.00 H new ATOM 1245 N TYR A 82 -11.865 -10.211 -3.325 1.00 0.00 N ATOM 1246 CA TYR A 82 -11.193 -11.504 -3.382 1.00 0.00 C ATOM 1247 C TYR A 82 -10.686 -11.793 -4.792 1.00 0.00 C ATOM 1248 O TYR A 82 -11.393 -11.574 -5.776 1.00 0.00 O ATOM 1249 CB TYR A 82 -12.142 -12.616 -2.932 1.00 0.00 C ATOM 1250 CG TYR A 82 -11.540 -14.000 -3.026 1.00 0.00 C ATOM 1251 CD1 TYR A 82 -11.456 -14.662 -4.244 1.00 0.00 C ATOM 1252 CD2 TYR A 82 -11.055 -14.646 -1.895 1.00 0.00 C ATOM 1253 CE1 TYR A 82 -10.908 -15.927 -4.334 1.00 0.00 C ATOM 1254 CE2 TYR A 82 -10.504 -15.910 -1.975 1.00 0.00 C ATOM 1255 CZ TYR A 82 -10.433 -16.547 -3.196 1.00 0.00 C ATOM 1256 OH TYR A 82 -9.885 -17.806 -3.282 1.00 0.00 O ATOM 0 H TYR A 82 -12.746 -10.170 -3.838 1.00 0.00 H new ATOM 0 HA TYR A 82 -10.338 -11.470 -2.707 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.444 -12.429 -1.901 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -13.046 -12.580 -3.541 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.826 -14.179 -5.137 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -11.110 -14.151 -0.937 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -10.852 -16.428 -5.289 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -10.131 -16.397 -1.086 1.00 0.00 H new ATOM 0 HH TYR A 82 -9.598 -18.099 -2.392 1.00 0.00 H new ATOM 1266 N VAL A 83 -9.455 -12.286 -4.882 1.00 0.00 N ATOM 1267 CA VAL A 83 -8.852 -12.607 -6.170 1.00 0.00 C ATOM 1268 C VAL A 83 -8.988 -14.092 -6.486 1.00 0.00 C ATOM 1269 O VAL A 83 -8.261 -14.923 -5.942 1.00 0.00 O ATOM 1270 CB VAL A 83 -7.361 -12.221 -6.204 1.00 0.00 C ATOM 1271 CG1 VAL A 83 -6.734 -12.627 -7.528 1.00 0.00 C ATOM 1272 CG2 VAL A 83 -7.192 -10.729 -5.959 1.00 0.00 C ATOM 0 H VAL A 83 -8.856 -12.472 -4.078 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.387 -12.028 -6.923 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.846 -12.758 -5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.681 -12.346 -7.533 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.823 -13.706 -7.657 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.249 -12.121 -8.345 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.133 -10.473 -5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -7.720 -10.171 -6.732 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -7.602 -10.472 -4.982 1.00 0.00 H new ATOM 1415 N ASP A 93 -4.835 -16.563 -0.030 1.00 0.00 N ATOM 1416 CA ASP A 93 -5.938 -15.670 -0.365 1.00 0.00 C ATOM 1417 C ASP A 93 -5.424 -14.274 -0.701 1.00 0.00 C ATOM 1418 O ASP A 93 -4.936 -13.553 0.170 1.00 0.00 O ATOM 1419 CB ASP A 93 -6.932 -15.595 0.794 1.00 0.00 C ATOM 1420 CG ASP A 93 -8.098 -14.673 0.499 1.00 0.00 C ATOM 1421 OD1 ASP A 93 -7.917 -13.721 -0.290 1.00 0.00 O ATOM 1422 OD2 ASP A 93 -9.192 -14.903 1.055 1.00 0.00 O ATOM 0 HA ASP A 93 -6.445 -16.072 -1.242 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.309 -16.595 1.010 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.416 -15.248 1.689 1.00 0.00 H new ATOM 1427 N THR A 94 -5.535 -13.897 -1.972 1.00 0.00 N ATOM 1428 CA THR A 94 -5.079 -12.589 -2.424 1.00 0.00 C ATOM 1429 C THR A 94 -6.241 -11.607 -2.524 1.00 0.00 C ATOM 1430 O THR A 94 -7.106 -11.740 -3.391 1.00 0.00 O ATOM 1431 CB THR A 94 -4.379 -12.680 -3.793 1.00 0.00 C ATOM 1432 OG1 THR A 94 -3.263 -13.574 -3.713 1.00 0.00 O ATOM 1433 CG2 THR A 94 -3.905 -11.309 -4.250 1.00 0.00 C ATOM 0 H THR A 94 -5.937 -14.480 -2.706 1.00 0.00 H new ATOM 0 HA THR A 94 -4.365 -12.229 -1.683 1.00 0.00 H new ATOM 0 HB THR A 94 -5.097 -13.059 -4.520 1.00 0.00 H new ATOM 0 HG1 THR A 94 -2.824 -13.628 -4.587 1.00 0.00 H new ATOM 0 HG21 THR A 94 -3.414 -11.398 -5.219 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.760 -10.639 -4.337 1.00 0.00 H new ATOM 0 HG23 THR A 94 -3.201 -10.906 -3.522 1.00 0.00 H new ATOM 1441 N PHE A 95 -6.255 -10.620 -1.634 1.00 0.00 N ATOM 1442 CA PHE A 95 -7.311 -9.615 -1.623 1.00 0.00 C ATOM 1443 C PHE A 95 -6.885 -8.370 -2.395 1.00 0.00 C ATOM 1444 O PHE A 95 -5.741 -7.926 -2.297 1.00 0.00 O ATOM 1445 CB PHE A 95 -7.671 -9.239 -0.184 1.00 0.00 C ATOM 1446 CG PHE A 95 -8.189 -10.393 0.626 1.00 0.00 C ATOM 1447 CD1 PHE A 95 -7.315 -11.316 1.177 1.00 0.00 C ATOM 1448 CD2 PHE A 95 -9.549 -10.555 0.834 1.00 0.00 C ATOM 1449 CE1 PHE A 95 -7.788 -12.380 1.923 1.00 0.00 C ATOM 1450 CE2 PHE A 95 -10.028 -11.616 1.580 1.00 0.00 C ATOM 1451 CZ PHE A 95 -9.146 -12.530 2.124 1.00 0.00 C ATOM 0 H PHE A 95 -5.547 -10.495 -0.911 1.00 0.00 H new ATOM 0 HA PHE A 95 -8.188 -10.040 -2.110 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.789 -8.828 0.307 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.423 -8.450 -0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -6.252 -11.203 1.022 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -10.243 -9.845 0.409 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.096 -13.093 2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.090 -11.730 1.737 1.00 0.00 H new ATOM 0 HZ PHE A 95 -9.518 -13.360 2.706 1.00 0.00 H new ATOM 1461 N SER A 96 -7.815 -7.811 -3.164 1.00 0.00 N ATOM 1462 CA SER A 96 -7.535 -6.619 -3.957 1.00 0.00 C ATOM 1463 C SER A 96 -8.284 -5.411 -3.403 1.00 0.00 C ATOM 1464 O SER A 96 -9.199 -5.551 -2.592 1.00 0.00 O ATOM 1465 CB SER A 96 -7.926 -6.850 -5.418 1.00 0.00 C ATOM 1466 OG SER A 96 -7.175 -6.018 -6.284 1.00 0.00 O ATOM 0 H SER A 96 -8.768 -8.164 -3.255 1.00 0.00 H new ATOM 0 HA SER A 96 -6.465 -6.418 -3.902 1.00 0.00 H new ATOM 0 HB2 SER A 96 -7.763 -7.895 -5.681 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.990 -6.651 -5.549 1.00 0.00 H new ATOM 0 HG SER A 96 -7.442 -6.186 -7.212 1.00 0.00 H new ATOM 1472 N PHE A 97 -7.888 -4.223 -3.847 1.00 0.00 N ATOM 1473 CA PHE A 97 -8.519 -2.988 -3.397 1.00 0.00 C ATOM 1474 C PHE A 97 -8.376 -1.889 -4.446 1.00 0.00 C ATOM 1475 O PHE A 97 -7.340 -1.773 -5.100 1.00 0.00 O ATOM 1476 CB PHE A 97 -7.904 -2.529 -2.073 1.00 0.00 C ATOM 1477 CG PHE A 97 -6.484 -2.057 -2.204 1.00 0.00 C ATOM 1478 CD1 PHE A 97 -6.202 -0.798 -2.710 1.00 0.00 C ATOM 1479 CD2 PHE A 97 -5.431 -2.872 -1.821 1.00 0.00 C ATOM 1480 CE1 PHE A 97 -4.897 -0.362 -2.833 1.00 0.00 C ATOM 1481 CE2 PHE A 97 -4.123 -2.441 -1.941 1.00 0.00 C ATOM 1482 CZ PHE A 97 -3.856 -1.184 -2.446 1.00 0.00 C ATOM 0 H PHE A 97 -7.132 -4.089 -4.519 1.00 0.00 H new ATOM 0 HA PHE A 97 -9.580 -3.186 -3.247 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -8.510 -1.722 -1.660 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -7.941 -3.352 -1.360 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -7.012 -0.150 -3.012 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.634 -3.856 -1.424 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.691 0.620 -3.231 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -3.311 -3.087 -1.640 1.00 0.00 H new ATOM 0 HZ PHE A 97 -2.835 -0.844 -2.538 1.00 0.00 H new ATOM 1492 N ASP A 98 -9.423 -1.087 -4.600 1.00 0.00 N ATOM 1493 CA ASP A 98 -9.415 0.003 -5.569 1.00 0.00 C ATOM 1494 C ASP A 98 -9.974 1.282 -4.952 1.00 0.00 C ATOM 1495 O ASP A 98 -11.189 1.455 -4.855 1.00 0.00 O ATOM 1496 CB ASP A 98 -10.229 -0.380 -6.806 1.00 0.00 C ATOM 1497 CG ASP A 98 -10.203 0.698 -7.872 1.00 0.00 C ATOM 1498 OD1 ASP A 98 -9.095 1.137 -8.244 1.00 0.00 O ATOM 1499 OD2 ASP A 98 -11.291 1.103 -8.333 1.00 0.00 O ATOM 0 H ASP A 98 -10.288 -1.171 -4.067 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.382 0.185 -5.866 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -9.837 -1.308 -7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -11.261 -0.573 -6.513 1.00 0.00 H new ATOM 1504 N ILE A 99 -9.080 2.173 -4.537 1.00 0.00 N ATOM 1505 CA ILE A 99 -9.484 3.435 -3.931 1.00 0.00 C ATOM 1506 C ILE A 99 -9.363 4.586 -4.924 1.00 0.00 C ATOM 1507 O ILE A 99 -8.430 4.632 -5.725 1.00 0.00 O ATOM 1508 CB ILE A 99 -8.639 3.756 -2.684 1.00 0.00 C ATOM 1509 CG1 ILE A 99 -8.801 2.656 -1.634 1.00 0.00 C ATOM 1510 CG2 ILE A 99 -9.037 5.107 -2.109 1.00 0.00 C ATOM 1511 CD1 ILE A 99 -7.651 2.582 -0.654 1.00 0.00 C ATOM 0 H ILE A 99 -8.071 2.044 -4.610 1.00 0.00 H new ATOM 0 HA ILE A 99 -10.527 3.323 -3.634 1.00 0.00 H new ATOM 0 HB ILE A 99 -7.590 3.801 -2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -9.727 2.824 -1.083 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -8.900 1.695 -2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.431 5.320 -1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.875 5.883 -2.857 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -10.090 5.087 -1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.833 1.780 0.061 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -6.725 2.383 -1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.565 3.530 -0.122 1.00 0.00 H new ATOM 1523 N SER A 100 -10.312 5.514 -4.863 1.00 0.00 N ATOM 1524 CA SER A 100 -10.314 6.665 -5.759 1.00 0.00 C ATOM 1525 C SER A 100 -9.540 7.830 -5.148 1.00 0.00 C ATOM 1526 O SER A 100 -9.615 8.077 -3.944 1.00 0.00 O ATOM 1527 CB SER A 100 -11.749 7.097 -6.066 1.00 0.00 C ATOM 1528 OG SER A 100 -12.439 7.453 -4.881 1.00 0.00 O ATOM 0 H SER A 100 -11.089 5.492 -4.203 1.00 0.00 H new ATOM 0 HA SER A 100 -9.824 6.372 -6.688 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.738 7.944 -6.753 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.277 6.286 -6.568 1.00 0.00 H new ATOM 0 HG SER A 100 -13.353 7.727 -5.104 1.00 0.00 H new ATOM 1534 N LEU A 101 -8.796 8.542 -5.987 1.00 0.00 N ATOM 1535 CA LEU A 101 -8.007 9.681 -5.532 1.00 0.00 C ATOM 1536 C LEU A 101 -8.748 10.991 -5.780 1.00 0.00 C ATOM 1537 O LEU A 101 -9.581 11.101 -6.680 1.00 0.00 O ATOM 1538 CB LEU A 101 -6.653 9.706 -6.243 1.00 0.00 C ATOM 1539 CG LEU A 101 -5.740 8.506 -5.989 1.00 0.00 C ATOM 1540 CD1 LEU A 101 -4.560 8.521 -6.949 1.00 0.00 C ATOM 1541 CD2 LEU A 101 -5.256 8.500 -4.547 1.00 0.00 C ATOM 0 H LEU A 101 -8.723 8.351 -6.986 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.845 9.573 -4.459 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.830 9.782 -7.316 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.124 10.610 -5.942 1.00 0.00 H new ATOM 0 HG LEU A 101 -6.312 7.595 -6.163 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -3.921 7.660 -6.754 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -4.925 8.477 -7.975 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.987 9.437 -6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -4.608 7.639 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.700 9.416 -4.346 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.113 8.441 -3.876 1.00 0.00 H new ATOM 1553 N PRO A 102 -8.439 12.010 -4.964 1.00 0.00 N ATOM 1554 CA PRO A 102 -9.063 13.332 -5.077 1.00 0.00 C ATOM 1555 C PRO A 102 -8.622 14.075 -6.333 1.00 0.00 C ATOM 1556 O PRO A 102 -7.958 13.508 -7.199 1.00 0.00 O ATOM 1557 CB PRO A 102 -8.575 14.062 -3.823 1.00 0.00 C ATOM 1558 CG PRO A 102 -7.294 13.390 -3.468 1.00 0.00 C ATOM 1559 CD PRO A 102 -7.457 11.950 -3.869 1.00 0.00 C ATOM 0 HA PRO A 102 -10.148 13.266 -5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.425 15.124 -4.017 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.300 13.985 -3.013 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -6.455 13.848 -3.991 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.090 13.477 -2.401 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -6.513 11.515 -4.199 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.816 11.340 -3.040 1.00 0.00 H new ATOM 1687 N ARG A 110 -1.522 15.909 4.153 1.00 0.00 N ATOM 1688 CA ARG A 110 -0.806 14.688 3.803 1.00 0.00 C ATOM 1689 C ARG A 110 -1.780 13.546 3.527 1.00 0.00 C ATOM 1690 O ARG A 110 -2.898 13.534 4.041 1.00 0.00 O ATOM 1691 CB ARG A 110 0.154 14.294 4.927 1.00 0.00 C ATOM 1692 CG ARG A 110 1.388 13.551 4.442 1.00 0.00 C ATOM 1693 CD ARG A 110 2.567 13.759 5.379 1.00 0.00 C ATOM 1694 NE ARG A 110 3.696 12.897 5.038 1.00 0.00 N ATOM 1695 CZ ARG A 110 4.637 12.540 5.905 1.00 0.00 C ATOM 1696 NH1 ARG A 110 4.583 12.966 7.159 1.00 0.00 N ATOM 1697 NH2 ARG A 110 5.633 11.753 5.519 1.00 0.00 N ATOM 0 HA ARG A 110 -0.233 14.880 2.896 1.00 0.00 H new ATOM 0 HB2 ARG A 110 0.467 15.193 5.458 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -0.377 13.669 5.645 1.00 0.00 H new ATOM 0 HG2 ARG A 110 1.166 12.487 4.365 1.00 0.00 H new ATOM 0 HG3 ARG A 110 1.652 13.895 3.442 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.882 14.802 5.339 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.255 13.559 6.404 1.00 0.00 H new ATOM 0 HE ARG A 110 3.766 12.550 4.081 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.818 13.569 7.460 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.307 12.690 7.823 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.677 11.421 4.555 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.355 11.480 6.186 1.00 0.00 H new ATOM 1711 N MET A 111 -1.346 12.590 2.713 1.00 0.00 N ATOM 1712 CA MET A 111 -2.180 11.443 2.369 1.00 0.00 C ATOM 1713 C MET A 111 -1.431 10.136 2.607 1.00 0.00 C ATOM 1714 O MET A 111 -0.453 9.838 1.923 1.00 0.00 O ATOM 1715 CB MET A 111 -2.628 11.530 0.909 1.00 0.00 C ATOM 1716 CG MET A 111 -3.331 10.277 0.413 1.00 0.00 C ATOM 1717 SD MET A 111 -3.981 10.461 -1.258 1.00 0.00 S ATOM 1718 CE MET A 111 -2.489 10.257 -2.227 1.00 0.00 C ATOM 0 H MET A 111 -0.423 12.586 2.279 1.00 0.00 H new ATOM 0 HA MET A 111 -3.060 11.459 3.012 1.00 0.00 H new ATOM 0 HB2 MET A 111 -3.298 12.382 0.793 1.00 0.00 H new ATOM 0 HB3 MET A 111 -1.758 11.721 0.281 1.00 0.00 H new ATOM 0 HG2 MET A 111 -2.633 9.440 0.437 1.00 0.00 H new ATOM 0 HG3 MET A 111 -4.148 10.031 1.091 1.00 0.00 H new ATOM 0 HE1 MET A 111 -2.708 10.450 -3.277 1.00 0.00 H new ATOM 0 HE2 MET A 111 -1.731 10.959 -1.879 1.00 0.00 H new ATOM 0 HE3 MET A 111 -2.119 9.238 -2.115 1.00 0.00 H new ATOM 1728 N GLU A 112 -1.898 9.360 3.581 1.00 0.00 N ATOM 1729 CA GLU A 112 -1.270 8.086 3.908 1.00 0.00 C ATOM 1730 C GLU A 112 -2.321 6.997 4.108 1.00 0.00 C ATOM 1731 O GLU A 112 -3.495 7.287 4.343 1.00 0.00 O ATOM 1732 CB GLU A 112 -0.415 8.222 5.170 1.00 0.00 C ATOM 1733 CG GLU A 112 0.569 9.378 5.115 1.00 0.00 C ATOM 1734 CD GLU A 112 1.799 9.137 5.969 1.00 0.00 C ATOM 1735 OE1 GLU A 112 1.751 9.442 7.179 1.00 0.00 O ATOM 1736 OE2 GLU A 112 2.810 8.644 5.427 1.00 0.00 O ATOM 0 H GLU A 112 -2.708 9.592 4.156 1.00 0.00 H new ATOM 0 HA GLU A 112 -0.630 7.801 3.073 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -1.071 8.354 6.031 1.00 0.00 H new ATOM 0 HB3 GLU A 112 0.135 7.294 5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 112 0.875 9.541 4.082 1.00 0.00 H new ATOM 0 HG3 GLU A 112 0.072 10.289 5.448 1.00 0.00 H new ATOM 1743 N PHE A 113 -1.892 5.743 4.013 1.00 0.00 N ATOM 1744 CA PHE A 113 -2.795 4.611 4.181 1.00 0.00 C ATOM 1745 C PHE A 113 -2.112 3.480 4.947 1.00 0.00 C ATOM 1746 O PHE A 113 -0.886 3.394 4.984 1.00 0.00 O ATOM 1747 CB PHE A 113 -3.271 4.104 2.819 1.00 0.00 C ATOM 1748 CG PHE A 113 -2.350 3.093 2.199 1.00 0.00 C ATOM 1749 CD1 PHE A 113 -2.299 1.795 2.681 1.00 0.00 C ATOM 1750 CD2 PHE A 113 -1.534 3.441 1.134 1.00 0.00 C ATOM 1751 CE1 PHE A 113 -1.452 0.862 2.113 1.00 0.00 C ATOM 1752 CE2 PHE A 113 -0.685 2.512 0.562 1.00 0.00 C ATOM 1753 CZ PHE A 113 -0.643 1.222 1.053 1.00 0.00 C ATOM 0 H PHE A 113 -0.924 5.485 3.820 1.00 0.00 H new ATOM 0 HA PHE A 113 -3.657 4.948 4.757 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.261 3.661 2.931 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -3.376 4.951 2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -2.929 1.509 3.510 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.562 4.449 0.747 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.423 -0.147 2.497 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -0.055 2.795 -0.268 1.00 0.00 H new ATOM 0 HZ PHE A 113 0.021 0.496 0.609 1.00 0.00 H new ATOM 1763 N ALA A 114 -2.918 2.617 5.557 1.00 0.00 N ATOM 1764 CA ALA A 114 -2.393 1.491 6.320 1.00 0.00 C ATOM 1765 C ALA A 114 -3.260 0.251 6.135 1.00 0.00 C ATOM 1766 O ALA A 114 -4.447 0.352 5.825 1.00 0.00 O ATOM 1767 CB ALA A 114 -2.294 1.854 7.794 1.00 0.00 C ATOM 0 H ALA A 114 -3.936 2.676 5.538 1.00 0.00 H new ATOM 0 HA ALA A 114 -1.395 1.263 5.945 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.901 1.004 8.352 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.627 2.708 7.914 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.283 2.110 8.173 1.00 0.00 H new ATOM 1773 N VAL A 115 -2.660 -0.920 6.327 1.00 0.00 N ATOM 1774 CA VAL A 115 -3.378 -2.180 6.181 1.00 0.00 C ATOM 1775 C VAL A 115 -3.905 -2.670 7.525 1.00 0.00 C ATOM 1776 O VAL A 115 -3.226 -2.563 8.547 1.00 0.00 O ATOM 1777 CB VAL A 115 -2.480 -3.270 5.567 1.00 0.00 C ATOM 1778 CG1 VAL A 115 -3.242 -4.580 5.437 1.00 0.00 C ATOM 1779 CG2 VAL A 115 -1.944 -2.819 4.216 1.00 0.00 C ATOM 0 H VAL A 115 -1.678 -1.022 6.584 1.00 0.00 H new ATOM 0 HA VAL A 115 -4.217 -1.991 5.511 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.633 -3.435 6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.591 -5.338 5.001 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -3.572 -4.908 6.423 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -4.110 -4.434 4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.311 -3.601 3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -2.777 -2.624 3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.359 -1.908 4.342 1.00 0.00 H new ATOM 1789 N TYR A 116 -5.119 -3.209 7.517 1.00 0.00 N ATOM 1790 CA TYR A 116 -5.739 -3.714 8.736 1.00 0.00 C ATOM 1791 C TYR A 116 -6.271 -5.130 8.530 1.00 0.00 C ATOM 1792 O TYR A 116 -7.386 -5.322 8.043 1.00 0.00 O ATOM 1793 CB TYR A 116 -6.876 -2.790 9.176 1.00 0.00 C ATOM 1794 CG TYR A 116 -8.011 -3.512 9.866 1.00 0.00 C ATOM 1795 CD1 TYR A 116 -7.797 -4.221 11.042 1.00 0.00 C ATOM 1796 CD2 TYR A 116 -9.298 -3.483 9.343 1.00 0.00 C ATOM 1797 CE1 TYR A 116 -8.831 -4.883 11.675 1.00 0.00 C ATOM 1798 CE2 TYR A 116 -10.338 -4.141 9.971 1.00 0.00 C ATOM 1799 CZ TYR A 116 -10.100 -4.839 11.136 1.00 0.00 C ATOM 1800 OH TYR A 116 -11.133 -5.496 11.765 1.00 0.00 O ATOM 0 H TYR A 116 -5.693 -3.307 6.680 1.00 0.00 H new ATOM 0 HA TYR A 116 -4.978 -3.740 9.516 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -6.477 -2.032 9.849 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -7.267 -2.267 8.303 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.805 -4.255 11.468 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.488 -2.937 8.431 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.647 -5.432 12.587 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.333 -4.109 9.551 1.00 0.00 H new ATOM 0 HH TYR A 116 -11.961 -5.365 11.258 1.00 0.00 H new ATOM 1810 N TYR A 117 -5.466 -6.117 8.905 1.00 0.00 N ATOM 1811 CA TYR A 117 -5.853 -7.515 8.761 1.00 0.00 C ATOM 1812 C TYR A 117 -6.386 -8.072 10.078 1.00 0.00 C ATOM 1813 O TYR A 117 -5.648 -8.200 11.054 1.00 0.00 O ATOM 1814 CB TYR A 117 -4.661 -8.350 8.288 1.00 0.00 C ATOM 1815 CG TYR A 117 -4.959 -9.829 8.191 1.00 0.00 C ATOM 1816 CD1 TYR A 117 -6.004 -10.298 7.404 1.00 0.00 C ATOM 1817 CD2 TYR A 117 -4.193 -10.758 8.885 1.00 0.00 C ATOM 1818 CE1 TYR A 117 -6.279 -11.648 7.313 1.00 0.00 C ATOM 1819 CE2 TYR A 117 -4.460 -12.111 8.798 1.00 0.00 C ATOM 1820 CZ TYR A 117 -5.505 -12.551 8.012 1.00 0.00 C ATOM 1821 OH TYR A 117 -5.775 -13.897 7.923 1.00 0.00 O ATOM 0 H TYR A 117 -4.541 -5.975 9.311 1.00 0.00 H new ATOM 0 HA TYR A 117 -6.647 -7.570 8.016 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -4.339 -7.988 7.312 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -3.828 -8.200 8.974 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -6.611 -9.594 6.854 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -3.375 -10.417 9.503 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -7.096 -11.995 6.698 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -3.854 -12.820 9.342 1.00 0.00 H new ATOM 0 HH TYR A 117 -4.985 -14.367 7.584 1.00 0.00 H new ATOM 1831 N GLU A 118 -7.674 -8.400 10.095 1.00 0.00 N ATOM 1832 CA GLU A 118 -8.307 -8.942 11.292 1.00 0.00 C ATOM 1833 C GLU A 118 -8.552 -10.441 11.146 1.00 0.00 C ATOM 1834 O GLU A 118 -9.134 -10.893 10.159 1.00 0.00 O ATOM 1835 CB GLU A 118 -9.630 -8.223 11.566 1.00 0.00 C ATOM 1836 CG GLU A 118 -9.992 -8.158 13.041 1.00 0.00 C ATOM 1837 CD GLU A 118 -10.503 -9.482 13.575 1.00 0.00 C ATOM 1838 OE1 GLU A 118 -11.670 -9.824 13.294 1.00 0.00 O ATOM 1839 OE2 GLU A 118 -9.735 -10.175 14.275 1.00 0.00 O ATOM 0 H GLU A 118 -8.299 -8.300 9.295 1.00 0.00 H new ATOM 0 HA GLU A 118 -7.633 -8.781 12.133 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -9.572 -7.209 11.169 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -10.429 -8.731 11.026 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.116 -7.854 13.613 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -10.753 -7.392 13.191 1.00 0.00 H new ATOM 1846 N CYS A 119 -8.103 -11.207 12.134 1.00 0.00 N ATOM 1847 CA CYS A 119 -8.271 -12.656 12.116 1.00 0.00 C ATOM 1848 C CYS A 119 -7.844 -13.269 13.446 1.00 0.00 C ATOM 1849 O CYS A 119 -7.019 -12.706 14.164 1.00 0.00 O ATOM 1850 CB CYS A 119 -7.460 -13.270 10.974 1.00 0.00 C ATOM 1851 SG CYS A 119 -7.871 -14.995 10.622 1.00 0.00 S ATOM 0 H CYS A 119 -7.620 -10.849 12.958 1.00 0.00 H new ATOM 0 HA CYS A 119 -9.328 -12.873 11.959 1.00 0.00 H new ATOM 0 HB2 CYS A 119 -7.617 -12.679 10.072 1.00 0.00 H new ATOM 0 HB3 CYS A 119 -6.400 -13.203 11.218 1.00 0.00 H new ATOM 0 HG CYS A 119 -9.067 -15.062 10.117 1.00 0.00 H new ATOM 1857 N ASN A 120 -8.414 -14.426 13.768 1.00 0.00 N ATOM 1858 CA ASN A 120 -8.095 -15.115 15.013 1.00 0.00 C ATOM 1859 C ASN A 120 -8.215 -14.169 16.204 1.00 0.00 C ATOM 1860 O ASN A 120 -7.336 -14.121 17.063 1.00 0.00 O ATOM 1861 CB ASN A 120 -6.681 -15.696 14.950 1.00 0.00 C ATOM 1862 CG ASN A 120 -6.636 -17.027 14.225 1.00 0.00 C ATOM 1863 OD1 ASN A 120 -7.509 -17.876 14.405 1.00 0.00 O ATOM 1864 ND2 ASN A 120 -5.613 -17.216 13.399 1.00 0.00 N ATOM 0 H ASN A 120 -9.099 -14.906 13.184 1.00 0.00 H new ATOM 0 HA ASN A 120 -8.810 -15.928 15.143 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -6.022 -14.988 14.447 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -6.298 -15.823 15.962 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -5.529 -18.092 12.884 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -4.912 -16.485 13.280 1.00 0.00 H new ATOM 1871 N GLY A 121 -9.312 -13.418 16.249 1.00 0.00 N ATOM 1872 CA GLY A 121 -9.528 -12.485 17.339 1.00 0.00 C ATOM 1873 C GLY A 121 -8.354 -11.548 17.541 1.00 0.00 C ATOM 1874 O GLY A 121 -8.020 -11.197 18.672 1.00 0.00 O ATOM 0 H GLY A 121 -10.054 -13.440 15.550 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.426 -11.900 17.140 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -9.708 -13.041 18.259 1.00 0.00 H new ATOM 1878 N GLN A 122 -7.726 -11.143 16.441 1.00 0.00 N ATOM 1879 CA GLN A 122 -6.580 -10.243 16.504 1.00 0.00 C ATOM 1880 C GLN A 122 -6.715 -9.119 15.482 1.00 0.00 C ATOM 1881 O GLN A 122 -7.525 -9.199 14.558 1.00 0.00 O ATOM 1882 CB GLN A 122 -5.283 -11.016 16.261 1.00 0.00 C ATOM 1883 CG GLN A 122 -4.756 -11.724 17.499 1.00 0.00 C ATOM 1884 CD GLN A 122 -4.270 -10.758 18.561 1.00 0.00 C ATOM 1885 OE1 GLN A 122 -4.178 -9.553 18.325 1.00 0.00 O ATOM 1886 NE2 GLN A 122 -3.956 -11.282 19.740 1.00 0.00 N ATOM 0 H GLN A 122 -7.991 -11.424 15.497 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.550 -9.802 17.501 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -5.450 -11.752 15.475 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -4.522 -10.327 15.895 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -5.543 -12.351 17.917 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -3.938 -12.386 17.214 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -4.047 -12.286 19.892 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -3.624 -10.680 20.493 1.00 0.00 H new ATOM 1895 N THR A 123 -5.916 -8.070 15.654 1.00 0.00 N ATOM 1896 CA THR A 123 -5.947 -6.929 14.748 1.00 0.00 C ATOM 1897 C THR A 123 -4.539 -6.521 14.330 1.00 0.00 C ATOM 1898 O THR A 123 -3.903 -5.692 14.981 1.00 0.00 O ATOM 1899 CB THR A 123 -6.650 -5.719 15.392 1.00 0.00 C ATOM 1900 OG1 THR A 123 -7.963 -6.090 15.827 1.00 0.00 O ATOM 1901 CG2 THR A 123 -6.744 -4.562 14.409 1.00 0.00 C ATOM 0 H THR A 123 -5.239 -7.988 16.413 1.00 0.00 H new ATOM 0 HA THR A 123 -6.509 -7.240 13.867 1.00 0.00 H new ATOM 0 HB THR A 123 -6.060 -5.398 16.251 1.00 0.00 H new ATOM 0 HG1 THR A 123 -8.403 -5.316 16.237 1.00 0.00 H new ATOM 0 HG21 THR A 123 -7.244 -3.719 14.886 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.742 -4.263 14.102 1.00 0.00 H new ATOM 0 HG23 THR A 123 -7.314 -4.874 13.534 1.00 0.00 H new ATOM 1909 N TYR A 124 -4.057 -7.108 13.240 1.00 0.00 N ATOM 1910 CA TYR A 124 -2.723 -6.806 12.735 1.00 0.00 C ATOM 1911 C TYR A 124 -2.737 -5.545 11.876 1.00 0.00 C ATOM 1912 O TYR A 124 -3.472 -5.461 10.891 1.00 0.00 O ATOM 1913 CB TYR A 124 -2.183 -7.984 11.923 1.00 0.00 C ATOM 1914 CG TYR A 124 -2.279 -9.310 12.643 1.00 0.00 C ATOM 1915 CD1 TYR A 124 -1.450 -9.600 13.720 1.00 0.00 C ATOM 1916 CD2 TYR A 124 -3.199 -10.273 12.247 1.00 0.00 C ATOM 1917 CE1 TYR A 124 -1.533 -10.811 14.380 1.00 0.00 C ATOM 1918 CE2 TYR A 124 -3.291 -11.486 12.902 1.00 0.00 C ATOM 1919 CZ TYR A 124 -2.455 -11.750 13.968 1.00 0.00 C ATOM 1920 OH TYR A 124 -2.543 -12.957 14.624 1.00 0.00 O ATOM 0 H TYR A 124 -4.571 -7.796 12.689 1.00 0.00 H new ATOM 0 HA TYR A 124 -2.070 -6.633 13.590 1.00 0.00 H new ATOM 0 HB2 TYR A 124 -2.732 -8.049 10.984 1.00 0.00 H new ATOM 0 HB3 TYR A 124 -1.140 -7.792 11.670 1.00 0.00 H new ATOM 0 HD1 TYR A 124 -0.728 -8.866 14.047 1.00 0.00 H new ATOM 0 HD2 TYR A 124 -3.854 -10.070 11.412 1.00 0.00 H new ATOM 0 HE1 TYR A 124 -0.880 -11.021 15.214 1.00 0.00 H new ATOM 0 HE2 TYR A 124 -4.013 -12.223 12.582 1.00 0.00 H new ATOM 0 HH TYR A 124 -3.243 -13.504 14.210 1.00 0.00 H new ATOM 1930 N TRP A 125 -1.921 -4.569 12.255 1.00 0.00 N ATOM 1931 CA TRP A 125 -1.839 -3.313 11.520 1.00 0.00 C ATOM 1932 C TRP A 125 -0.492 -3.180 10.818 1.00 0.00 C ATOM 1933 O TRP A 125 0.550 -3.081 11.467 1.00 0.00 O ATOM 1934 CB TRP A 125 -2.053 -2.129 12.465 1.00 0.00 C ATOM 1935 CG TRP A 125 -3.497 -1.871 12.775 1.00 0.00 C ATOM 1936 CD1 TRP A 125 -4.181 -2.270 13.887 1.00 0.00 C ATOM 1937 CD2 TRP A 125 -4.434 -1.158 11.960 1.00 0.00 C ATOM 1938 NE1 TRP A 125 -5.486 -1.848 13.814 1.00 0.00 N ATOM 1939 CE2 TRP A 125 -5.667 -1.162 12.642 1.00 0.00 C ATOM 1940 CE3 TRP A 125 -4.351 -0.513 10.723 1.00 0.00 C ATOM 1941 CZ2 TRP A 125 -6.805 -0.549 12.125 1.00 0.00 C ATOM 1942 CZ3 TRP A 125 -5.481 0.094 10.211 1.00 0.00 C ATOM 1943 CH2 TRP A 125 -6.695 0.074 10.911 1.00 0.00 C ATOM 0 H TRP A 125 -1.306 -4.623 13.067 1.00 0.00 H new ATOM 0 HA TRP A 125 -2.624 -3.312 10.764 1.00 0.00 H new ATOM 0 HB2 TRP A 125 -1.516 -2.314 13.395 1.00 0.00 H new ATOM 0 HB3 TRP A 125 -1.619 -1.234 12.019 1.00 0.00 H new ATOM 0 HD1 TRP A 125 -3.758 -2.835 14.705 1.00 0.00 H new ATOM 0 HE1 TRP A 125 -6.204 -2.018 14.518 1.00 0.00 H new ATOM 0 HE3 TRP A 125 -3.419 -0.490 10.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 -7.742 -0.564 12.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 -5.428 0.593 9.255 1.00 0.00 H new ATOM 0 HH2 TRP A 125 -7.560 0.559 10.484 1.00 0.00 H new ATOM 1954 N ASP A 126 -0.519 -3.179 9.490 1.00 0.00 N ATOM 1955 CA ASP A 126 0.700 -3.057 8.699 1.00 0.00 C ATOM 1956 C ASP A 126 0.800 -1.674 8.064 1.00 0.00 C ATOM 1957 O ASP A 126 0.189 -1.410 7.028 1.00 0.00 O ATOM 1958 CB ASP A 126 0.741 -4.134 7.615 1.00 0.00 C ATOM 1959 CG ASP A 126 1.499 -3.686 6.381 1.00 0.00 C ATOM 1960 OD1 ASP A 126 2.451 -2.891 6.526 1.00 0.00 O ATOM 1961 OD2 ASP A 126 1.139 -4.129 5.270 1.00 0.00 O ATOM 0 H ASP A 126 -1.373 -3.261 8.938 1.00 0.00 H new ATOM 0 HA ASP A 126 1.551 -3.193 9.366 1.00 0.00 H new ATOM 0 HB2 ASP A 126 1.208 -5.033 8.018 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -0.278 -4.402 7.335 1.00 0.00 H new ATOM 1966 N SER A 127 1.573 -0.794 8.692 1.00 0.00 N ATOM 1967 CA SER A 127 1.749 0.564 8.190 1.00 0.00 C ATOM 1968 C SER A 127 3.131 0.739 7.568 1.00 0.00 C ATOM 1969 O SER A 127 4.098 1.060 8.257 1.00 0.00 O ATOM 1970 CB SER A 127 1.554 1.577 9.320 1.00 0.00 C ATOM 1971 OG SER A 127 2.439 1.317 10.396 1.00 0.00 O ATOM 0 H SER A 127 2.087 -0.997 9.549 1.00 0.00 H new ATOM 0 HA SER A 127 0.998 0.740 7.420 1.00 0.00 H new ATOM 0 HB2 SER A 127 1.723 2.585 8.942 1.00 0.00 H new ATOM 0 HB3 SER A 127 0.524 1.537 9.674 1.00 0.00 H new ATOM 0 HG SER A 127 3.339 1.148 10.046 1.00 0.00 H new ATOM 1977 N ASN A 128 3.215 0.524 6.259 1.00 0.00 N ATOM 1978 CA ASN A 128 4.478 0.657 5.542 1.00 0.00 C ATOM 1979 C ASN A 128 5.625 0.048 6.344 1.00 0.00 C ATOM 1980 O ASN A 128 6.732 0.586 6.369 1.00 0.00 O ATOM 1981 CB ASN A 128 4.771 2.130 5.250 1.00 0.00 C ATOM 1982 CG ASN A 128 6.134 2.334 4.617 1.00 0.00 C ATOM 1983 OD1 ASN A 128 6.835 3.377 5.047 1.00 0.00 O flip ATOM 1984 ND2 ASN A 128 6.551 1.564 3.753 1.00 0.00 N flip ATOM 0 H ASN A 128 2.424 0.257 5.673 1.00 0.00 H new ATOM 0 HA ASN A 128 4.390 0.118 4.599 1.00 0.00 H new ATOM 0 HB2 ASN A 128 4.002 2.526 4.586 1.00 0.00 H new ATOM 0 HB3 ASN A 128 4.715 2.700 6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 128 5.978 0.775 3.453 1.00 0.00 H new ATOM 0 HD22 ASN A 128 7.470 1.714 3.337 1.00 0.00 H new ATOM 1991 N ARG A 129 5.352 -1.077 6.996 1.00 0.00 N ATOM 1992 CA ARG A 129 6.360 -1.759 7.799 1.00 0.00 C ATOM 1993 C ARG A 129 7.306 -0.755 8.451 1.00 0.00 C ATOM 1994 O ARG A 129 8.517 -0.969 8.500 1.00 0.00 O ATOM 1995 CB ARG A 129 7.155 -2.738 6.933 1.00 0.00 C ATOM 1996 CG ARG A 129 6.291 -3.780 6.242 1.00 0.00 C ATOM 1997 CD ARG A 129 5.466 -4.573 7.244 1.00 0.00 C ATOM 1998 NE ARG A 129 6.305 -5.260 8.222 1.00 0.00 N ATOM 1999 CZ ARG A 129 5.872 -5.649 9.416 1.00 0.00 C ATOM 2000 NH1 ARG A 129 4.617 -5.421 9.778 1.00 0.00 N ATOM 2001 NH2 ARG A 129 6.696 -6.269 10.252 1.00 0.00 N ATOM 0 H ARG A 129 4.441 -1.536 6.984 1.00 0.00 H new ATOM 0 HA ARG A 129 5.848 -2.313 8.586 1.00 0.00 H new ATOM 0 HB2 ARG A 129 7.706 -2.177 6.178 1.00 0.00 H new ATOM 0 HB3 ARG A 129 7.892 -3.245 7.556 1.00 0.00 H new ATOM 0 HG2 ARG A 129 5.627 -3.290 5.530 1.00 0.00 H new ATOM 0 HG3 ARG A 129 6.925 -4.459 5.672 1.00 0.00 H new ATOM 0 HD2 ARG A 129 4.781 -3.901 7.762 1.00 0.00 H new ATOM 0 HD3 ARG A 129 4.855 -5.304 6.713 1.00 0.00 H new ATOM 0 HE ARG A 129 7.276 -5.451 7.975 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.980 -4.945 9.139 1.00 0.00 H new ATOM 0 HH12 ARG A 129 4.288 -5.721 10.696 1.00 0.00 H new ATOM 0 HH21 ARG A 129 7.662 -6.447 9.978 1.00 0.00 H new ATOM 0 HH22 ARG A 129 6.363 -6.567 11.169 1.00 0.00 H new ATOM 2015 N GLY A 130 6.745 0.342 8.949 1.00 0.00 N ATOM 2016 CA GLY A 130 7.553 1.363 9.591 1.00 0.00 C ATOM 2017 C GLY A 130 6.736 2.568 10.015 1.00 0.00 C ATOM 2018 O GLY A 130 6.209 2.610 11.126 1.00 0.00 O ATOM 0 H GLY A 130 5.745 0.542 8.920 1.00 0.00 H new ATOM 0 HA2 GLY A 130 8.045 0.936 10.465 1.00 0.00 H new ATOM 0 HA3 GLY A 130 8.339 1.683 8.907 1.00 0.00 H new ATOM 2022 N LYS A 131 6.631 3.551 9.128 1.00 0.00 N ATOM 2023 CA LYS A 131 5.873 4.764 9.414 1.00 0.00 C ATOM 2024 C LYS A 131 4.556 4.776 8.647 1.00 0.00 C ATOM 2025 O LYS A 131 3.481 4.673 9.237 1.00 0.00 O ATOM 2026 CB LYS A 131 6.697 6.002 9.055 1.00 0.00 C ATOM 2027 CG LYS A 131 8.008 6.102 9.815 1.00 0.00 C ATOM 2028 CD LYS A 131 7.788 6.556 11.248 1.00 0.00 C ATOM 2029 CE LYS A 131 9.024 7.241 11.812 1.00 0.00 C ATOM 2030 NZ LYS A 131 8.811 7.703 13.212 1.00 0.00 N ATOM 0 H LYS A 131 7.062 3.532 8.204 1.00 0.00 H new ATOM 0 HA LYS A 131 5.651 4.781 10.481 1.00 0.00 H new ATOM 0 HB2 LYS A 131 6.907 5.991 7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 131 6.103 6.894 9.254 1.00 0.00 H new ATOM 0 HG2 LYS A 131 8.506 5.133 9.812 1.00 0.00 H new ATOM 0 HG3 LYS A 131 8.671 6.803 9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 131 6.941 7.241 11.288 1.00 0.00 H new ATOM 0 HD3 LYS A 131 7.532 5.697 11.868 1.00 0.00 H new ATOM 0 HE2 LYS A 131 9.867 6.551 11.781 1.00 0.00 H new ATOM 0 HE3 LYS A 131 9.286 8.093 11.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 9.675 8.164 13.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 8.022 8.381 13.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 8.586 6.887 13.816 1.00 0.00 H new ATOM 2044 N ASN A 132 4.646 4.901 7.326 1.00 0.00 N ATOM 2045 CA ASN A 132 3.460 4.926 6.478 1.00 0.00 C ATOM 2046 C ASN A 132 3.848 4.960 5.003 1.00 0.00 C ATOM 2047 O ASN A 132 5.018 5.134 4.661 1.00 0.00 O ATOM 2048 CB ASN A 132 2.591 6.139 6.816 1.00 0.00 C ATOM 2049 CG ASN A 132 1.611 5.853 7.937 1.00 0.00 C ATOM 2050 OD1 ASN A 132 0.916 4.837 7.925 1.00 0.00 O ATOM 2051 ND2 ASN A 132 1.551 6.751 8.914 1.00 0.00 N ATOM 0 H ASN A 132 5.528 4.986 6.820 1.00 0.00 H new ATOM 0 HA ASN A 132 2.890 4.016 6.665 1.00 0.00 H new ATOM 0 HB2 ASN A 132 3.232 6.973 7.101 1.00 0.00 H new ATOM 0 HB3 ASN A 132 2.042 6.448 5.927 1.00 0.00 H new ATOM 0 HD21 ASN A 132 0.910 6.613 9.695 1.00 0.00 H new ATOM 0 HD22 ASN A 132 2.146 7.579 8.883 1.00 0.00 H new ATOM 2058 N TYR A 133 2.858 4.792 4.133 1.00 0.00 N ATOM 2059 CA TYR A 133 3.095 4.801 2.694 1.00 0.00 C ATOM 2060 C TYR A 133 2.908 6.202 2.120 1.00 0.00 C ATOM 2061 O TYR A 133 1.878 6.507 1.519 1.00 0.00 O ATOM 2062 CB TYR A 133 2.151 3.821 1.994 1.00 0.00 C ATOM 2063 CG TYR A 133 2.592 2.379 2.096 1.00 0.00 C ATOM 2064 CD1 TYR A 133 3.815 1.968 1.581 1.00 0.00 C ATOM 2065 CD2 TYR A 133 1.786 1.426 2.708 1.00 0.00 C ATOM 2066 CE1 TYR A 133 4.222 0.650 1.671 1.00 0.00 C ATOM 2067 CE2 TYR A 133 2.185 0.108 2.803 1.00 0.00 C ATOM 2068 CZ TYR A 133 3.404 -0.276 2.283 1.00 0.00 C ATOM 2069 OH TYR A 133 3.805 -1.589 2.376 1.00 0.00 O ATOM 0 H TYR A 133 1.884 4.648 4.399 1.00 0.00 H new ATOM 0 HA TYR A 133 4.125 4.491 2.519 1.00 0.00 H new ATOM 0 HB2 TYR A 133 1.155 3.919 2.425 1.00 0.00 H new ATOM 0 HB3 TYR A 133 2.072 4.094 0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 133 4.459 2.691 1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 133 0.831 1.722 3.116 1.00 0.00 H new ATOM 0 HE1 TYR A 133 5.176 0.347 1.264 1.00 0.00 H new ATOM 0 HE2 TYR A 133 1.546 -0.619 3.282 1.00 0.00 H new ATOM 0 HH TYR A 133 3.114 -2.110 2.836 1.00 0.00 H new ATOM 2079 N ARG A 134 3.913 7.051 2.310 1.00 0.00 N ATOM 2080 CA ARG A 134 3.861 8.421 1.813 1.00 0.00 C ATOM 2081 C ARG A 134 3.688 8.442 0.297 1.00 0.00 C ATOM 2082 O ARG A 134 4.607 8.098 -0.447 1.00 0.00 O ATOM 2083 CB ARG A 134 5.132 9.176 2.202 1.00 0.00 C ATOM 2084 CG ARG A 134 5.157 10.617 1.718 1.00 0.00 C ATOM 2085 CD ARG A 134 6.580 11.140 1.599 1.00 0.00 C ATOM 2086 NE ARG A 134 6.631 12.599 1.623 1.00 0.00 N ATOM 2087 CZ ARG A 134 7.629 13.309 1.109 1.00 0.00 C ATOM 2088 NH1 ARG A 134 8.654 12.696 0.532 1.00 0.00 N ATOM 2089 NH2 ARG A 134 7.603 14.634 1.169 1.00 0.00 N ATOM 0 H ARG A 134 4.773 6.814 2.805 1.00 0.00 H new ATOM 0 HA ARG A 134 3.001 8.914 2.267 1.00 0.00 H new ATOM 0 HB2 ARG A 134 5.234 9.164 3.287 1.00 0.00 H new ATOM 0 HB3 ARG A 134 5.996 8.650 1.795 1.00 0.00 H new ATOM 0 HG2 ARG A 134 4.661 10.685 0.750 1.00 0.00 H new ATOM 0 HG3 ARG A 134 4.594 11.244 2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 134 7.182 10.743 2.417 1.00 0.00 H new ATOM 0 HD3 ARG A 134 7.023 10.777 0.672 1.00 0.00 H new ATOM 0 HE ARG A 134 5.857 13.101 2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 134 8.677 11.677 0.482 1.00 0.00 H new ATOM 0 HH12 ARG A 134 9.419 13.243 0.138 1.00 0.00 H new ATOM 0 HH21 ARG A 134 6.816 15.109 1.610 1.00 0.00 H new ATOM 0 HH22 ARG A 134 8.370 15.178 0.774 1.00 0.00 H new ATOM 2103 N ILE A 135 2.505 8.847 -0.153 1.00 0.00 N ATOM 2104 CA ILE A 135 2.213 8.913 -1.580 1.00 0.00 C ATOM 2105 C ILE A 135 2.482 10.309 -2.131 1.00 0.00 C ATOM 2106 O ILE A 135 1.748 11.255 -1.839 1.00 0.00 O ATOM 2107 CB ILE A 135 0.751 8.530 -1.873 1.00 0.00 C ATOM 2108 CG1 ILE A 135 0.460 7.115 -1.369 1.00 0.00 C ATOM 2109 CG2 ILE A 135 0.464 8.637 -3.364 1.00 0.00 C ATOM 2110 CD1 ILE A 135 -1.004 6.741 -1.427 1.00 0.00 C ATOM 0 H ILE A 135 1.734 9.134 0.449 1.00 0.00 H new ATOM 0 HA ILE A 135 2.872 8.198 -2.071 1.00 0.00 H new ATOM 0 HB ILE A 135 0.097 9.224 -1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 135 1.032 6.402 -1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 135 0.809 7.026 -0.340 1.00 0.00 H new ATOM 0 HG21 ILE A 135 -0.574 8.363 -3.555 1.00 0.00 H new ATOM 0 HG22 ILE A 135 0.636 9.661 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 135 1.124 7.963 -3.911 1.00 0.00 H new ATOM 0 HD11 ILE A 135 -1.135 5.725 -1.054 1.00 0.00 H new ATOM 0 HD12 ILE A 135 -1.580 7.431 -0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 135 -1.353 6.797 -2.458 1.00 0.00 H new ATOM 2122 N ILE A 136 3.536 10.431 -2.931 1.00 0.00 N ATOM 2123 CA ILE A 136 3.899 11.711 -3.527 1.00 0.00 C ATOM 2124 C ILE A 136 3.605 11.724 -5.023 1.00 0.00 C ATOM 2125 O ILE A 136 3.233 10.704 -5.602 1.00 0.00 O ATOM 2126 CB ILE A 136 5.388 12.033 -3.304 1.00 0.00 C ATOM 2127 CG1 ILE A 136 6.267 11.017 -4.038 1.00 0.00 C ATOM 2128 CG2 ILE A 136 5.712 12.044 -1.818 1.00 0.00 C ATOM 2129 CD1 ILE A 136 7.656 11.531 -4.345 1.00 0.00 C ATOM 0 H ILE A 136 4.154 9.659 -3.181 1.00 0.00 H new ATOM 0 HA ILE A 136 3.294 12.472 -3.034 1.00 0.00 H new ATOM 0 HB ILE A 136 5.594 13.024 -3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 136 6.348 10.114 -3.433 1.00 0.00 H new ATOM 0 HG13 ILE A 136 5.779 10.733 -4.970 1.00 0.00 H new ATOM 0 HG21 ILE A 136 6.768 12.273 -1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 136 5.107 12.801 -1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 136 5.493 11.065 -1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 136 8.223 10.759 -4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 136 7.585 12.417 -4.976 1.00 0.00 H new ATOM 0 HD13 ILE A 136 8.163 11.788 -3.415 1.00 0.00 H new ATOM 2141 N ARG A 137 3.777 12.887 -5.644 1.00 0.00 N ATOM 2142 CA ARG A 137 3.531 13.034 -7.073 1.00 0.00 C ATOM 2143 C ARG A 137 4.779 12.681 -7.878 1.00 0.00 C ATOM 2144 O ARG A 137 5.873 12.568 -7.328 1.00 0.00 O ATOM 2145 CB ARG A 137 3.092 14.464 -7.393 1.00 0.00 C ATOM 2146 CG ARG A 137 2.205 14.568 -8.622 1.00 0.00 C ATOM 2147 CD ARG A 137 1.300 15.788 -8.554 1.00 0.00 C ATOM 2148 NE ARG A 137 0.207 15.713 -9.520 1.00 0.00 N ATOM 2149 CZ ARG A 137 -0.535 16.757 -9.873 1.00 0.00 C ATOM 2150 NH1 ARG A 137 -0.302 17.950 -9.342 1.00 0.00 N ATOM 2151 NH2 ARG A 137 -1.512 16.610 -10.758 1.00 0.00 N ATOM 0 H ARG A 137 4.086 13.741 -5.179 1.00 0.00 H new ATOM 0 HA ARG A 137 2.733 12.346 -7.351 1.00 0.00 H new ATOM 0 HB2 ARG A 137 2.558 14.872 -6.535 1.00 0.00 H new ATOM 0 HB3 ARG A 137 3.977 15.082 -7.541 1.00 0.00 H new ATOM 0 HG2 ARG A 137 2.826 14.623 -9.516 1.00 0.00 H new ATOM 0 HG3 ARG A 137 1.597 13.667 -8.711 1.00 0.00 H new ATOM 0 HD2 ARG A 137 0.889 15.879 -7.548 1.00 0.00 H new ATOM 0 HD3 ARG A 137 1.888 16.687 -8.741 1.00 0.00 H new ATOM 0 HE ARG A 137 0.002 14.810 -9.947 1.00 0.00 H new ATOM 0 HH11 ARG A 137 0.448 18.067 -8.661 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -0.873 18.750 -9.615 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -1.695 15.694 -11.169 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -2.081 17.413 -11.028 1.00 0.00 H new ATOM 2165 N ALA A 138 4.604 12.509 -9.184 1.00 0.00 N ATOM 2166 CA ALA A 138 5.716 12.171 -10.065 1.00 0.00 C ATOM 2167 C ALA A 138 6.546 13.406 -10.400 1.00 0.00 C ATOM 2168 O ALA A 138 7.770 13.332 -10.502 1.00 0.00 O ATOM 2169 CB ALA A 138 5.200 11.519 -11.339 1.00 0.00 C ATOM 0 H ALA A 138 3.704 12.598 -9.655 1.00 0.00 H new ATOM 0 HA ALA A 138 6.360 11.464 -9.542 1.00 0.00 H new ATOM 0 HB1 ALA A 138 6.041 11.272 -11.987 1.00 0.00 H new ATOM 0 HB2 ALA A 138 4.656 10.609 -11.087 1.00 0.00 H new ATOM 0 HB3 ALA A 138 4.533 12.209 -11.856 1.00 0.00 H new ATOM 2175 N GLU A 139 5.872 14.539 -10.570 1.00 0.00 N ATOM 2176 CA GLU A 139 6.549 15.789 -10.894 1.00 0.00 C ATOM 2177 C GLU A 139 7.381 16.279 -9.713 1.00 0.00 C ATOM 2178 O GLU A 139 8.528 16.697 -9.878 1.00 0.00 O ATOM 2179 CB GLU A 139 5.530 16.858 -11.293 1.00 0.00 C ATOM 2180 CG GLU A 139 4.494 17.142 -10.219 1.00 0.00 C ATOM 2181 CD GLU A 139 3.470 18.174 -10.654 1.00 0.00 C ATOM 2182 OE1 GLU A 139 3.873 19.311 -10.976 1.00 0.00 O ATOM 2183 OE2 GLU A 139 2.266 17.843 -10.671 1.00 0.00 O ATOM 0 H GLU A 139 4.858 14.617 -10.489 1.00 0.00 H new ATOM 0 HA GLU A 139 7.218 15.603 -11.735 1.00 0.00 H new ATOM 0 HB2 GLU A 139 6.059 17.782 -11.529 1.00 0.00 H new ATOM 0 HB3 GLU A 139 5.020 16.541 -12.203 1.00 0.00 H new ATOM 0 HG2 GLU A 139 3.982 16.215 -9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 139 4.997 17.492 -9.318 1.00 0.00 H new