USER MOD reduce.3.24.130724 H: found=0, std=0, add=1171, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1188 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 139 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 144 ASN : amide:sc= 0.0042 X(o=0.0042,f=0.011) USER MOD Set 2.1: A 120 HIS : no HE2:sc= -2.41 K(o=-2.6,f=-3.3!) USER MOD Set 2.2: A 124 HIS : no HD1:sc= 0.072 K(o=-2.6,f=-4.3) USER MOD Set 2.3: A 128 MET CE :methyl 139:sc= -0.291 (180deg=-1.4) USER MOD Set 3.1: A 69 HIS :FLIP no HD1:sc= -4.83 F(o=-7!,f=-5.7) USER MOD Set 3.2: A 84 HIS : no HD1:sc= -0.83 K(o=-5.7,f=-9.2) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0317 USER MOD Single : A 12 SER OG : rot -131:sc= 1.83 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.48 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 159:sc= 0.644 USER MOD Single : A 22 TYR OH : rot -54:sc= 0.0316 USER MOD Single : A 23 THR OG1 : rot 124:sc= 0.158 USER MOD Single : A 28 HIS : no HE2:sc= -0.138 K(o=-0.14,f=-4.5!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00281) USER MOD Single : A 40 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.008) USER MOD Single : A 41 MET CE :methyl 173:sc= 0 (180deg=-0.027) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= 0.106 K(o=0.11,f=-0.74) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.168 K(o=-0.17,f=-1.8!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0.0278 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= 0.34 K(o=0.34,f=-2.5!) USER MOD Single : A 105 THR OG1 : rot -160:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 55:sc= 0.127 USER MOD Single : A 113 ASN : amide:sc= -0.2 K(o=-0.2,f=-6.2!) USER MOD Single : A 116 TYR OH : rot 54:sc= 0.492 USER MOD Single : A 119 THR OG1 : rot 83:sc= 0.457 USER MOD Single : A 125 SER OG : rot -55:sc= 0.662 USER MOD Single : A 130 HIS : no HD1:sc= -0.405 X(o=-0.41,f=-0.085) USER MOD Single : A 131 SER OG : rot 160:sc= 0.282 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 138 MET CE :methyl -123:sc= -0.935 (180deg=-3.54!) USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 142 TYR OH : rot 15:sc= -0.205 USER MOD Single : A 148 GLN : amide:sc= 0.363 K(o=0.36,f=-5.4!) USER MOD Single : A 149 ASN : amide:sc= -0.0077 K(o=-0.0077,f=-1) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 GLN : amide:sc=-0.00358 X(o=-0.0036,f=0.15) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 162 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 109 N PRO A 8 -12.881 -0.297 7.769 1.00 -0.66 N ATOM 110 CA PRO A 8 -12.047 -0.966 6.798 1.00 0.36 C ATOM 111 C PRO A 8 -12.896 -1.291 5.576 1.00 0.57 C ATOM 112 O PRO A 8 -14.031 -1.757 5.721 1.00 -0.57 O ATOM 113 CB PRO A 8 -11.527 -2.213 7.503 1.00 0.00 C ATOM 114 CG PRO A 8 -12.498 -2.499 8.639 1.00 0.00 C ATOM 115 CD PRO A 8 -13.321 -1.222 8.805 1.00 0.30 C ATOM 0 HA PRO A 8 -11.208 -0.365 6.446 1.00 0.36 H new ATOM 0 HB2 PRO A 8 -11.476 -3.056 6.814 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.519 -2.052 7.885 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.137 -3.350 8.404 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.965 -2.745 9.558 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.386 -1.433 8.707 1.00 0.30 H new ATOM 0 HD3 PRO A 8 -13.171 -0.792 9.795 1.00 0.30 H new ATOM 123 N LYS A 9 -12.312 -1.082 4.387 1.00 -0.73 N ATOM 124 CA LYS A 9 -12.982 -1.165 3.100 1.00 0.36 C ATOM 125 C LYS A 9 -13.943 0.018 2.971 1.00 0.57 C ATOM 126 O LYS A 9 -14.926 0.117 3.705 1.00 -0.57 O ATOM 127 CB LYS A 9 -13.661 -2.536 2.921 1.00 0.00 C ATOM 128 CG LYS A 9 -13.256 -3.232 1.623 1.00 0.00 C ATOM 129 CD LYS A 9 -14.346 -4.221 1.198 1.00 0.00 C ATOM 130 CE LYS A 9 -15.486 -3.470 0.482 1.00 0.50 C ATOM 131 NZ LYS A 9 -16.833 -3.883 0.939 1.00 -0.85 N ATOM 0 H LYS A 9 -11.324 -0.842 4.302 1.00 -0.73 H new ATOM 0 HA LYS A 9 -12.260 -1.094 2.287 1.00 0.36 H new ATOM 0 HB2 LYS A 9 -13.406 -3.176 3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -14.743 -2.405 2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -13.098 -2.493 0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -12.311 -3.757 1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.925 -4.977 0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -14.736 -4.744 2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.366 -2.399 0.646 1.00 0.50 H new ATOM 0 HE3 LYS A 9 -15.406 -3.639 -0.592 1.00 0.50 H new ATOM 0 HZ1 LYS A 9 -17.556 -3.343 0.421 1.00 -0.85 H new ATOM 0 HZ2 LYS A 9 -16.964 -4.899 0.759 1.00 -0.85 H new ATOM 0 HZ3 LYS A 9 -16.926 -3.697 1.958 1.00 -0.85 H new ATOM 145 N TRP A 10 -13.650 0.920 2.027 1.00 -0.73 N ATOM 146 CA TRP A 10 -14.534 2.024 1.664 1.00 0.36 C ATOM 147 C TRP A 10 -15.969 1.509 1.481 1.00 0.57 C ATOM 148 O TRP A 10 -16.178 0.373 1.047 1.00 -0.57 O ATOM 149 CB TRP A 10 -14.016 2.710 0.388 1.00 0.18 C ATOM 150 CG TRP A 10 -12.568 3.114 0.404 1.00 -0.18 C ATOM 151 CD1 TRP A 10 -11.523 2.291 0.149 1.00 -0.30 C ATOM 152 CD2 TRP A 10 -11.973 4.420 0.700 1.00 0.00 C ATOM 153 NE1 TRP A 10 -10.339 2.980 0.294 1.00 0.03 N ATOM 154 CE2 TRP A 10 -10.559 4.307 0.561 1.00 -0.15 C ATOM 155 CE3 TRP A 10 -12.468 5.692 1.067 1.00 -0.15 C ATOM 156 CZ2 TRP A 10 -9.685 5.383 0.751 1.00 -0.15 C ATOM 157 CZ3 TRP A 10 -11.596 6.781 1.274 1.00 -0.15 C ATOM 158 CH2 TRP A 10 -10.208 6.628 1.128 1.00 -0.15 C ATOM 0 H TRP A 10 -12.783 0.900 1.491 1.00 -0.73 H new ATOM 0 HA TRP A 10 -14.543 2.763 2.465 1.00 0.36 H new ATOM 0 HB2 TRP A 10 -14.177 2.037 -0.454 1.00 0.18 H new ATOM 0 HB3 TRP A 10 -14.620 3.599 0.205 1.00 0.18 H new ATOM 0 HD1 TRP A 10 -11.606 1.250 -0.127 1.00 -0.30 H new ATOM 0 HE1 TRP A 10 -9.415 2.556 0.213 1.00 0.03 H new ATOM 0 HE3 TRP A 10 -13.532 5.832 1.191 1.00 -0.15 H new ATOM 0 HZ2 TRP A 10 -8.622 5.256 0.609 1.00 -0.15 H new ATOM 0 HZ3 TRP A 10 -12.001 7.744 1.548 1.00 -0.15 H new ATOM 0 HH2 TRP A 10 -9.547 7.464 1.305 1.00 -0.15 H new ATOM 169 N THR A 11 -16.959 2.346 1.808 1.00 -0.73 N ATOM 170 CA THR A 11 -18.375 1.997 1.718 1.00 0.36 C ATOM 171 C THR A 11 -18.794 1.685 0.268 1.00 0.57 C ATOM 172 O THR A 11 -19.705 0.890 0.039 1.00 -0.57 O ATOM 173 CB THR A 11 -19.200 3.145 2.336 1.00 0.28 C ATOM 174 OG1 THR A 11 -18.717 4.406 1.899 1.00 -0.68 O ATOM 175 CG2 THR A 11 -19.106 3.133 3.870 1.00 0.00 C ATOM 0 H THR A 11 -16.795 3.294 2.146 1.00 -0.73 H new ATOM 0 HA THR A 11 -18.566 1.082 2.279 1.00 0.36 H new ATOM 0 HB THR A 11 -20.231 2.995 2.017 1.00 0.28 H new ATOM 0 HG1 THR A 11 -19.255 5.120 2.301 1.00 -0.68 H new ATOM 0 HG21 THR A 11 -19.697 3.953 4.277 1.00 0.00 H new ATOM 0 HG22 THR A 11 -19.489 2.186 4.251 1.00 0.00 H new ATOM 0 HG23 THR A 11 -18.065 3.251 4.172 1.00 0.00 H new ATOM 183 N SER A 12 -18.106 2.282 -0.711 1.00 -0.73 N ATOM 184 CA SER A 12 -18.249 1.990 -2.132 1.00 0.36 C ATOM 185 C SER A 12 -17.414 0.759 -2.528 1.00 0.57 C ATOM 186 O SER A 12 -16.328 0.524 -2.001 1.00 -0.57 O ATOM 187 CB SER A 12 -17.815 3.243 -2.903 1.00 0.28 C ATOM 188 OG SER A 12 -17.587 2.981 -4.272 1.00 -0.68 O ATOM 0 H SER A 12 -17.412 3.006 -0.524 1.00 -0.73 H new ATOM 0 HA SER A 12 -19.284 1.746 -2.373 1.00 0.36 H new ATOM 0 HB2 SER A 12 -18.583 4.010 -2.806 1.00 0.28 H new ATOM 0 HB3 SER A 12 -16.905 3.644 -2.456 1.00 0.28 H new ATOM 0 HG SER A 12 -16.720 3.353 -4.536 1.00 -0.68 H new ATOM 194 N LYS A 13 -17.896 0.010 -3.534 1.00 -0.73 N ATOM 195 CA LYS A 13 -17.168 -1.103 -4.162 1.00 0.36 C ATOM 196 C LYS A 13 -16.039 -0.630 -5.089 1.00 0.57 C ATOM 197 O LYS A 13 -15.254 -1.450 -5.572 1.00 -0.57 O ATOM 198 CB LYS A 13 -18.129 -2.025 -4.948 1.00 0.00 C ATOM 199 CG LYS A 13 -18.725 -1.400 -6.230 1.00 0.00 C ATOM 200 CD LYS A 13 -20.072 -0.694 -6.000 1.00 0.00 C ATOM 201 CE LYS A 13 -20.215 0.502 -6.950 1.00 0.50 C ATOM 202 NZ LYS A 13 -21.320 1.403 -6.554 1.00 -0.85 N ATOM 0 H LYS A 13 -18.819 0.165 -3.940 1.00 -0.73 H new ATOM 0 HA LYS A 13 -16.713 -1.662 -3.344 1.00 0.36 H new ATOM 0 HB2 LYS A 13 -17.595 -2.936 -5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -18.947 -2.319 -4.290 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -18.013 -0.683 -6.640 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -18.857 -2.182 -6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -20.890 -1.396 -6.162 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -20.141 -0.356 -4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.280 1.063 -6.968 1.00 0.50 H new ATOM 0 HE3 LYS A 13 -20.389 0.140 -7.963 1.00 0.50 H new ATOM 0 HZ1 LYS A 13 -21.379 2.196 -7.224 1.00 -0.85 H new ATOM 0 HZ2 LYS A 13 -22.217 0.876 -6.561 1.00 -0.85 H new ATOM 0 HZ3 LYS A 13 -21.142 1.771 -5.598 1.00 -0.85 H new ATOM 216 N VAL A 14 -15.999 0.674 -5.379 1.00 -0.73 N ATOM 217 CA VAL A 14 -15.019 1.297 -6.247 1.00 0.36 C ATOM 218 C VAL A 14 -14.412 2.480 -5.498 1.00 0.57 C ATOM 219 O VAL A 14 -15.117 3.169 -4.751 1.00 -0.57 O ATOM 220 CB VAL A 14 -15.637 1.656 -7.617 1.00 0.00 C ATOM 221 CG1 VAL A 14 -16.659 2.804 -7.556 1.00 0.00 C ATOM 222 CG2 VAL A 14 -14.555 2.008 -8.650 1.00 0.00 C ATOM 0 H VAL A 14 -16.673 1.339 -4.999 1.00 -0.73 H new ATOM 0 HA VAL A 14 -14.210 0.608 -6.489 1.00 0.36 H new ATOM 0 HB VAL A 14 -16.169 0.756 -7.925 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -17.048 2.998 -8.555 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -17.479 2.526 -6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -16.174 3.703 -7.175 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -15.027 2.255 -9.601 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.980 2.864 -8.297 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.890 1.155 -8.785 1.00 0.00 H new ATOM 232 N VAL A 15 -13.118 2.704 -5.717 1.00 -0.73 N ATOM 233 CA VAL A 15 -12.317 3.704 -5.020 1.00 0.36 C ATOM 234 C VAL A 15 -11.564 4.495 -6.076 1.00 0.57 C ATOM 235 O VAL A 15 -11.161 3.935 -7.102 1.00 -0.57 O ATOM 236 CB VAL A 15 -11.321 3.022 -4.055 1.00 0.00 C ATOM 237 CG1 VAL A 15 -10.702 4.032 -3.095 1.00 0.00 C ATOM 238 CG2 VAL A 15 -11.961 1.910 -3.234 1.00 0.00 C ATOM 0 H VAL A 15 -12.582 2.177 -6.407 1.00 -0.73 H new ATOM 0 HA VAL A 15 -12.956 4.359 -4.427 1.00 0.36 H new ATOM 0 HB VAL A 15 -10.551 2.585 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.006 3.522 -2.429 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.168 4.794 -3.663 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.489 4.503 -2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.214 1.468 -2.575 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.774 2.321 -2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.353 1.144 -3.903 1.00 0.00 H new ATOM 248 N THR A 16 -11.360 5.787 -5.839 1.00 -0.73 N ATOM 249 CA THR A 16 -10.658 6.614 -6.801 1.00 0.36 C ATOM 250 C THR A 16 -9.173 6.675 -6.428 1.00 0.57 C ATOM 251 O THR A 16 -8.839 6.762 -5.247 1.00 -0.57 O ATOM 252 CB THR A 16 -11.375 7.968 -6.931 1.00 0.28 C ATOM 253 OG1 THR A 16 -11.418 8.711 -5.727 1.00 -0.68 O ATOM 254 CG2 THR A 16 -12.812 7.759 -7.429 1.00 0.00 C ATOM 0 H THR A 16 -11.668 6.275 -4.998 1.00 -0.73 H new ATOM 0 HA THR A 16 -10.681 6.187 -7.804 1.00 0.36 H new ATOM 0 HB THR A 16 -10.789 8.544 -7.647 1.00 0.28 H new ATOM 0 HG1 THR A 16 -11.885 9.558 -5.882 1.00 -0.68 H new ATOM 0 HG21 THR A 16 -13.310 8.724 -7.517 1.00 0.00 H new ATOM 0 HG22 THR A 16 -12.792 7.270 -8.403 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.355 7.134 -6.721 1.00 0.00 H new ATOM 262 N TYR A 17 -8.267 6.674 -7.413 1.00 -0.73 N ATOM 263 CA TYR A 17 -6.830 6.849 -7.188 1.00 0.36 C ATOM 264 C TYR A 17 -6.309 8.041 -7.995 1.00 0.57 C ATOM 265 O TYR A 17 -6.809 8.336 -9.087 1.00 -0.57 O ATOM 266 CB TYR A 17 -6.054 5.552 -7.481 1.00 0.14 C ATOM 267 CG TYR A 17 -6.267 4.962 -8.865 1.00 -0.14 C ATOM 268 CD1 TYR A 17 -5.512 5.410 -9.967 1.00 -0.15 C ATOM 269 CD2 TYR A 17 -7.240 3.967 -9.047 1.00 -0.15 C ATOM 270 CE1 TYR A 17 -5.760 4.892 -11.253 1.00 -0.15 C ATOM 271 CE2 TYR A 17 -7.494 3.452 -10.329 1.00 -0.15 C ATOM 272 CZ TYR A 17 -6.776 3.927 -11.439 1.00 0.08 C ATOM 273 OH TYR A 17 -7.097 3.458 -12.676 1.00 -0.53 O ATOM 0 H TYR A 17 -8.514 6.551 -8.395 1.00 -0.73 H new ATOM 0 HA TYR A 17 -6.665 7.071 -6.134 1.00 0.36 H new ATOM 0 HB2 TYR A 17 -4.990 5.748 -7.348 1.00 0.14 H new ATOM 0 HB3 TYR A 17 -6.336 4.805 -6.739 1.00 0.14 H new ATOM 0 HD1 TYR A 17 -4.741 6.153 -9.825 1.00 -0.15 H new ATOM 0 HD2 TYR A 17 -7.795 3.596 -8.198 1.00 -0.15 H new ATOM 0 HE1 TYR A 17 -5.175 5.231 -12.095 1.00 -0.15 H new ATOM 0 HE2 TYR A 17 -8.245 2.687 -10.462 1.00 -0.15 H new ATOM 0 HH TYR A 17 -7.819 2.800 -12.599 1.00 -0.53 H new ATOM 283 N ARG A 18 -5.294 8.731 -7.455 1.00 -0.73 N ATOM 284 CA ARG A 18 -4.665 9.881 -8.108 1.00 0.36 C ATOM 285 C ARG A 18 -3.190 9.921 -7.757 1.00 0.57 C ATOM 286 O ARG A 18 -2.790 10.372 -6.686 1.00 -0.57 O ATOM 287 CB ARG A 18 -5.371 11.199 -7.748 1.00 0.00 C ATOM 288 CG ARG A 18 -4.956 12.381 -8.644 1.00 0.00 C ATOM 289 CD ARG A 18 -3.755 13.166 -8.098 1.00 0.33 C ATOM 290 NE ARG A 18 -3.469 14.388 -8.873 1.00 -0.84 N ATOM 291 CZ ARG A 18 -3.029 14.460 -10.137 1.00 1.20 C ATOM 292 NH1 ARG A 18 -2.582 13.389 -10.788 1.00 -0.97 N ATOM 293 NH2 ARG A 18 -3.054 15.630 -10.775 1.00 -0.97 N ATOM 0 H ARG A 18 -4.887 8.503 -6.548 1.00 -0.73 H new ATOM 0 HA ARG A 18 -4.764 9.765 -9.187 1.00 0.36 H new ATOM 0 HB2 ARG A 18 -6.449 11.057 -7.823 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.154 11.447 -6.709 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.714 12.006 -9.639 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.803 13.058 -8.756 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -3.946 13.437 -7.059 1.00 0.33 H new ATOM 0 HD3 ARG A 18 -2.874 12.524 -8.103 1.00 0.33 H new ATOM 0 HE ARG A 18 -3.623 15.276 -8.395 1.00 -0.84 H new ATOM 0 HH11 ARG A 18 -2.568 12.480 -10.325 1.00 -0.97 H new ATOM 0 HH12 ARG A 18 -2.254 13.477 -11.750 1.00 -0.97 H new ATOM 0 HH21 ARG A 18 -3.406 16.462 -10.301 1.00 -0.97 H new ATOM 0 HH22 ARG A 18 -2.721 15.694 -11.737 1.00 -0.97 H new ATOM 307 N ILE A 19 -2.370 9.454 -8.688 1.00 -0.73 N ATOM 308 CA ILE A 19 -0.934 9.466 -8.534 1.00 0.36 C ATOM 309 C ILE A 19 -0.498 10.894 -8.931 1.00 0.57 C ATOM 310 O ILE A 19 -0.569 11.250 -10.111 1.00 -0.57 O ATOM 311 CB ILE A 19 -0.329 8.289 -9.339 1.00 0.00 C ATOM 312 CG1 ILE A 19 -1.012 6.917 -9.074 1.00 0.00 C ATOM 313 CG2 ILE A 19 1.156 8.165 -8.987 1.00 0.00 C ATOM 314 CD1 ILE A 19 -0.806 5.904 -10.207 1.00 0.00 C ATOM 0 H ILE A 19 -2.689 9.056 -9.571 1.00 -0.73 H new ATOM 0 HA ILE A 19 -0.566 9.287 -7.524 1.00 0.36 H new ATOM 0 HB ILE A 19 -0.489 8.522 -10.392 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.621 6.498 -8.147 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.081 7.074 -8.927 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.595 7.339 -9.547 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.669 9.091 -9.244 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.262 7.976 -7.919 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.309 4.970 -9.956 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.222 6.303 -11.132 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.260 5.718 -10.340 1.00 0.00 H new ATOM 326 N VAL A 20 -0.225 11.760 -7.938 1.00 -0.73 N ATOM 327 CA VAL A 20 0.117 13.190 -8.115 1.00 0.36 C ATOM 328 C VAL A 20 1.521 13.354 -8.697 1.00 0.57 C ATOM 329 O VAL A 20 1.738 14.106 -9.649 1.00 -0.57 O ATOM 330 CB VAL A 20 0.089 13.988 -6.775 1.00 0.00 C ATOM 331 CG1 VAL A 20 -1.200 14.771 -6.549 1.00 0.00 C ATOM 332 CG2 VAL A 20 0.348 13.143 -5.524 1.00 0.00 C ATOM 0 H VAL A 20 -0.236 11.478 -6.958 1.00 -0.73 H new ATOM 0 HA VAL A 20 -0.641 13.583 -8.792 1.00 0.36 H new ATOM 0 HB VAL A 20 0.919 14.682 -6.909 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.143 15.299 -5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.334 15.491 -7.356 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.045 14.083 -6.532 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.310 13.780 -4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.413 12.367 -5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.332 12.680 -5.595 1.00 0.00 H new ATOM 342 N SER A 21 2.479 12.654 -8.097 1.00 -0.73 N ATOM 343 CA SER A 21 3.862 12.571 -8.521 1.00 0.36 C ATOM 344 C SER A 21 4.216 11.087 -8.548 1.00 0.57 C ATOM 345 O SER A 21 3.397 10.253 -8.161 1.00 -0.57 O ATOM 346 CB SER A 21 4.779 13.421 -7.617 1.00 0.28 C ATOM 347 OG SER A 21 4.804 13.027 -6.255 1.00 -0.68 O ATOM 0 H SER A 21 2.296 12.103 -7.259 1.00 -0.73 H new ATOM 0 HA SER A 21 4.010 12.992 -9.515 1.00 0.36 H new ATOM 0 HB2 SER A 21 5.794 13.379 -8.011 1.00 0.28 H new ATOM 0 HB3 SER A 21 4.458 14.461 -7.674 1.00 0.28 H new ATOM 0 HG SER A 21 5.621 13.364 -5.832 1.00 -0.68 H new ATOM 353 N TYR A 22 5.413 10.752 -9.020 1.00 -0.73 N ATOM 354 CA TYR A 22 5.860 9.385 -9.234 1.00 0.36 C ATOM 355 C TYR A 22 7.330 9.320 -8.799 1.00 0.57 C ATOM 356 O TYR A 22 7.956 10.361 -8.584 1.00 -0.57 O ATOM 357 CB TYR A 22 5.667 8.990 -10.711 1.00 0.14 C ATOM 358 CG TYR A 22 4.247 9.105 -11.279 1.00 -0.14 C ATOM 359 CD1 TYR A 22 3.681 10.368 -11.554 1.00 -0.15 C ATOM 360 CD2 TYR A 22 3.489 7.946 -11.560 1.00 -0.15 C ATOM 361 CE1 TYR A 22 2.351 10.481 -12.000 1.00 -0.15 C ATOM 362 CE2 TYR A 22 2.178 8.049 -12.067 1.00 -0.15 C ATOM 363 CZ TYR A 22 1.589 9.320 -12.251 1.00 0.08 C ATOM 364 OH TYR A 22 0.281 9.428 -12.627 1.00 -0.53 O ATOM 0 H TYR A 22 6.117 11.446 -9.271 1.00 -0.73 H new ATOM 0 HA TYR A 22 5.277 8.674 -8.649 1.00 0.36 H new ATOM 0 HB2 TYR A 22 6.326 9.611 -11.317 1.00 0.14 H new ATOM 0 HB3 TYR A 22 5.999 7.959 -10.833 1.00 0.14 H new ATOM 0 HD1 TYR A 22 4.276 11.259 -11.421 1.00 -0.15 H new ATOM 0 HD2 TYR A 22 3.919 6.971 -11.384 1.00 -0.15 H new ATOM 0 HE1 TYR A 22 1.913 11.457 -12.150 1.00 -0.15 H new ATOM 0 HE2 TYR A 22 1.623 7.156 -12.315 1.00 -0.15 H new ATOM 0 HH TYR A 22 -0.204 9.972 -11.972 1.00 -0.53 H new ATOM 374 N THR A 23 7.883 8.110 -8.665 1.00 -0.73 N ATOM 375 CA THR A 23 9.316 7.911 -8.451 1.00 0.36 C ATOM 376 C THR A 23 10.128 8.365 -9.682 1.00 0.57 C ATOM 377 O THR A 23 9.564 8.771 -10.702 1.00 -0.57 O ATOM 378 CB THR A 23 9.578 6.443 -8.048 1.00 0.28 C ATOM 379 OG1 THR A 23 10.888 6.282 -7.552 1.00 -0.68 O ATOM 380 CG2 THR A 23 9.398 5.469 -9.211 1.00 0.00 C ATOM 0 H THR A 23 7.348 7.242 -8.702 1.00 -0.73 H new ATOM 0 HA THR A 23 9.658 8.538 -7.628 1.00 0.36 H new ATOM 0 HB THR A 23 8.841 6.215 -7.278 1.00 0.28 H new ATOM 0 HG1 THR A 23 10.852 5.899 -6.651 1.00 -0.68 H new ATOM 0 HG21 THR A 23 9.595 4.453 -8.869 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.376 5.534 -9.585 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.094 5.724 -10.010 1.00 0.00 H new ATOM 388 N ARG A 24 11.460 8.256 -9.588 1.00 -0.73 N ATOM 389 CA ARG A 24 12.404 8.726 -10.608 1.00 0.36 C ATOM 390 C ARG A 24 13.338 7.621 -11.093 1.00 0.57 C ATOM 391 O ARG A 24 13.684 7.606 -12.279 1.00 -0.57 O ATOM 392 CB ARG A 24 13.214 9.908 -10.041 1.00 0.00 C ATOM 393 CG ARG A 24 13.368 11.062 -11.042 1.00 0.00 C ATOM 394 CD ARG A 24 14.679 11.078 -11.842 1.00 0.33 C ATOM 395 NE ARG A 24 15.437 12.321 -11.595 1.00 -0.84 N ATOM 396 CZ ARG A 24 16.075 12.640 -10.454 1.00 1.20 C ATOM 397 NH1 ARG A 24 16.213 11.754 -9.465 1.00 -0.97 N ATOM 398 NH2 ARG A 24 16.582 13.865 -10.307 1.00 -0.97 N ATOM 0 H ARG A 24 11.920 7.830 -8.784 1.00 -0.73 H new ATOM 0 HA ARG A 24 11.829 9.049 -11.476 1.00 0.36 H new ATOM 0 HB2 ARG A 24 12.725 10.278 -9.140 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.202 9.556 -9.745 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.535 11.023 -11.744 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.283 12.003 -10.499 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.287 10.217 -11.567 1.00 0.33 H new ATOM 0 HD3 ARG A 24 14.461 10.987 -12.906 1.00 0.33 H new ATOM 0 HE ARG A 24 15.481 12.998 -12.357 1.00 -0.84 H new ATOM 0 HH11 ARG A 24 15.831 10.814 -9.566 1.00 -0.97 H new ATOM 0 HH12 ARG A 24 16.700 12.017 -8.609 1.00 -0.97 H new ATOM 0 HH21 ARG A 24 16.484 14.551 -11.056 1.00 -0.97 H new ATOM 0 HH22 ARG A 24 17.067 14.116 -9.446 1.00 -0.97 H new ATOM 412 N ASP A 25 13.719 6.704 -10.195 1.00 -0.73 N ATOM 413 CA ASP A 25 14.508 5.512 -10.517 1.00 0.36 C ATOM 414 C ASP A 25 13.775 4.653 -11.551 1.00 0.57 C ATOM 415 O ASP A 25 14.390 4.144 -12.487 1.00 -0.57 O ATOM 416 CB ASP A 25 14.781 4.696 -9.236 1.00 0.06 C ATOM 417 CG ASP A 25 16.211 4.901 -8.724 1.00 0.66 C ATOM 418 OD1 ASP A 25 16.346 5.597 -7.731 1.00 -0.57 O ATOM 419 OD2 ASP A 25 17.211 4.334 -9.394 1.00 -0.65 O ATOM 0 H ASP A 25 13.482 6.773 -9.205 1.00 -0.73 H new ATOM 0 HA ASP A 25 15.461 5.826 -10.942 1.00 0.36 H new ATOM 0 HB2 ASP A 25 14.072 4.988 -8.461 1.00 0.06 H new ATOM 0 HB3 ASP A 25 14.615 3.638 -9.437 1.00 0.06 H new ATOM 425 N LEU A 26 12.447 4.539 -11.405 1.00 -0.73 N ATOM 426 CA LEU A 26 11.591 3.682 -12.219 1.00 0.36 C ATOM 427 C LEU A 26 10.655 4.572 -13.053 1.00 0.57 C ATOM 428 O LEU A 26 10.286 5.654 -12.594 1.00 -0.57 O ATOM 429 CB LEU A 26 10.762 2.728 -11.329 1.00 0.00 C ATOM 430 CG LEU A 26 11.520 2.054 -10.165 1.00 0.00 C ATOM 431 CD1 LEU A 26 10.529 1.257 -9.310 1.00 0.00 C ATOM 432 CD2 LEU A 26 12.656 1.155 -10.670 1.00 0.00 C ATOM 0 H LEU A 26 11.930 5.058 -10.695 1.00 -0.73 H new ATOM 0 HA LEU A 26 12.211 3.072 -12.876 1.00 0.36 H new ATOM 0 HB2 LEU A 26 9.924 3.288 -10.914 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.341 1.947 -11.962 1.00 0.00 H new ATOM 0 HG LEU A 26 11.981 2.831 -9.555 1.00 0.00 H new ATOM 0 HD11 LEU A 26 11.061 0.779 -8.487 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.770 1.930 -8.910 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.050 0.494 -9.924 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.165 0.699 -9.820 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.245 0.373 -11.309 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.367 1.753 -11.240 1.00 0.00 H new ATOM 444 N PRO A 27 10.246 4.152 -14.264 1.00 -0.66 N ATOM 445 CA PRO A 27 9.411 4.976 -15.128 1.00 0.36 C ATOM 446 C PRO A 27 7.943 5.006 -14.670 1.00 0.57 C ATOM 447 O PRO A 27 7.417 4.036 -14.129 1.00 -0.57 O ATOM 448 CB PRO A 27 9.576 4.393 -16.533 1.00 0.00 C ATOM 449 CG PRO A 27 10.057 2.957 -16.330 1.00 0.00 C ATOM 450 CD PRO A 27 10.613 2.899 -14.908 1.00 0.30 C ATOM 0 HA PRO A 27 9.719 6.021 -15.097 1.00 0.36 H new ATOM 0 HB2 PRO A 27 8.634 4.417 -17.080 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.296 4.969 -17.114 1.00 0.00 H new ATOM 0 HG2 PRO A 27 9.238 2.249 -16.459 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.823 2.695 -17.060 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.199 2.049 -14.365 1.00 0.30 H new ATOM 0 HD3 PRO A 27 11.696 2.773 -14.921 1.00 0.30 H new ATOM 458 N HIS A 28 7.256 6.118 -14.961 1.00 -0.73 N ATOM 459 CA HIS A 28 5.879 6.384 -14.534 1.00 0.36 C ATOM 460 C HIS A 28 4.900 5.326 -15.063 1.00 0.57 C ATOM 461 O HIS A 28 4.006 4.888 -14.342 1.00 -0.57 O ATOM 462 CB HIS A 28 5.432 7.773 -15.026 1.00 0.17 C ATOM 463 CG HIS A 28 6.330 8.938 -14.674 1.00 0.18 C ATOM 464 ND1 HIS A 28 6.028 9.958 -13.806 1.00 -0.70 N ATOM 465 CD2 HIS A 28 7.544 9.247 -15.229 1.00 0.20 C ATOM 466 CE1 HIS A 28 7.055 10.825 -13.799 1.00 0.65 C ATOM 467 NE2 HIS A 28 7.997 10.454 -14.685 1.00 -0.70 N ATOM 0 H HIS A 28 7.654 6.877 -15.515 1.00 -0.73 H new ATOM 0 HA HIS A 28 5.866 6.348 -13.445 1.00 0.36 H new ATOM 0 HB2 HIS A 28 5.333 7.735 -16.111 1.00 0.17 H new ATOM 0 HB3 HIS A 28 4.439 7.974 -14.623 1.00 0.17 H new ATOM 0 HD1 HIS A 28 5.171 10.043 -13.260 1.00 -0.70 H new ATOM 0 HD2 HIS A 28 8.066 8.655 -15.966 1.00 0.20 H new ATOM 0 HE1 HIS A 28 7.116 11.700 -13.168 1.00 0.65 H new ATOM 476 N ILE A 29 5.083 4.894 -16.319 1.00 -0.73 N ATOM 477 CA ILE A 29 4.287 3.827 -16.922 1.00 0.36 C ATOM 478 C ILE A 29 4.488 2.503 -16.178 1.00 0.57 C ATOM 479 O ILE A 29 3.527 1.755 -16.001 1.00 -0.57 O ATOM 480 CB ILE A 29 4.594 3.723 -18.435 1.00 0.00 C ATOM 481 CG1 ILE A 29 3.641 2.721 -19.124 1.00 0.00 C ATOM 482 CG2 ILE A 29 6.066 3.377 -18.742 1.00 0.00 C ATOM 483 CD1 ILE A 29 3.381 3.088 -20.591 1.00 0.00 C ATOM 0 H ILE A 29 5.791 5.279 -16.944 1.00 -0.73 H new ATOM 0 HA ILE A 29 3.229 4.071 -16.826 1.00 0.36 H new ATOM 0 HB ILE A 29 4.423 4.718 -18.846 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.069 1.720 -19.071 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.694 2.692 -18.585 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.209 3.320 -19.821 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.715 4.150 -18.330 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.315 2.416 -18.292 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.706 2.356 -21.035 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.928 4.078 -20.644 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.324 3.091 -21.138 1.00 0.00 H new ATOM 495 N THR A 30 5.709 2.230 -15.701 1.00 -0.73 N ATOM 496 CA THR A 30 5.964 1.080 -14.854 1.00 0.36 C ATOM 497 C THR A 30 5.295 1.301 -13.504 1.00 0.57 C ATOM 498 O THR A 30 4.663 0.369 -13.039 1.00 -0.57 O ATOM 499 CB THR A 30 7.471 0.796 -14.752 1.00 0.28 C ATOM 500 OG1 THR A 30 7.893 0.241 -15.982 1.00 -0.68 O ATOM 501 CG2 THR A 30 7.867 -0.191 -13.651 1.00 0.00 C ATOM 0 H THR A 30 6.533 2.799 -15.894 1.00 -0.73 H new ATOM 0 HA THR A 30 5.529 0.183 -15.294 1.00 0.36 H new ATOM 0 HB THR A 30 7.944 1.748 -14.510 1.00 0.28 H new ATOM 0 HG1 THR A 30 8.854 0.052 -15.943 1.00 -0.68 H new ATOM 0 HG21 THR A 30 8.948 -0.328 -13.657 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.556 0.200 -12.682 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.379 -1.149 -13.829 1.00 0.00 H new ATOM 509 N VAL A 31 5.349 2.491 -12.890 1.00 -0.73 N ATOM 510 CA VAL A 31 4.638 2.726 -11.629 1.00 0.36 C ATOM 511 C VAL A 31 3.153 2.406 -11.796 1.00 0.57 C ATOM 512 O VAL A 31 2.621 1.668 -10.974 1.00 -0.57 O ATOM 513 CB VAL A 31 4.851 4.157 -11.105 1.00 0.00 C ATOM 514 CG1 VAL A 31 3.994 4.456 -9.861 1.00 0.00 C ATOM 515 CG2 VAL A 31 6.318 4.394 -10.743 1.00 0.00 C ATOM 0 H VAL A 31 5.870 3.295 -13.241 1.00 -0.73 H new ATOM 0 HA VAL A 31 5.055 2.056 -10.877 1.00 0.36 H new ATOM 0 HB VAL A 31 4.548 4.823 -11.913 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.179 5.477 -9.529 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.939 4.341 -10.110 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.256 3.762 -9.063 1.00 0.00 H new ATOM 0 HG21 VAL A 31 6.442 5.413 -10.375 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.620 3.689 -9.968 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.939 4.249 -11.627 1.00 0.00 H new ATOM 525 N ASP A 32 2.512 2.898 -12.861 1.00 -0.73 N ATOM 526 CA ASP A 32 1.108 2.621 -13.168 1.00 0.36 C ATOM 527 C ASP A 32 0.885 1.111 -13.360 1.00 0.57 C ATOM 528 O ASP A 32 0.033 0.527 -12.694 1.00 -0.57 O ATOM 529 CB ASP A 32 0.714 3.455 -14.398 1.00 0.06 C ATOM 530 CG ASP A 32 -0.795 3.519 -14.652 1.00 0.66 C ATOM 531 OD1 ASP A 32 -1.412 2.475 -14.782 1.00 -0.57 O ATOM 532 OD2 ASP A 32 -1.336 4.730 -14.758 1.00 -0.65 O ATOM 0 H ASP A 32 2.962 3.509 -13.543 1.00 -0.73 H new ATOM 0 HA ASP A 32 0.461 2.910 -12.340 1.00 0.36 H new ATOM 0 HB2 ASP A 32 1.094 4.469 -14.273 1.00 0.06 H new ATOM 0 HB3 ASP A 32 1.203 3.038 -15.278 1.00 0.06 H new ATOM 538 N ARG A 33 1.724 0.442 -14.170 1.00 -0.73 N ATOM 539 CA ARG A 33 1.670 -1.012 -14.372 1.00 0.36 C ATOM 540 C ARG A 33 1.851 -1.789 -13.071 1.00 0.57 C ATOM 541 O ARG A 33 1.097 -2.731 -12.835 1.00 -0.57 O ATOM 542 CB ARG A 33 2.735 -1.448 -15.397 1.00 0.00 C ATOM 543 CG ARG A 33 2.163 -1.537 -16.818 1.00 0.00 C ATOM 544 CD ARG A 33 3.273 -1.569 -17.887 1.00 0.33 C ATOM 545 NE ARG A 33 3.407 -2.877 -18.555 1.00 -0.84 N ATOM 546 CZ ARG A 33 2.583 -3.355 -19.500 1.00 1.20 C ATOM 547 NH1 ARG A 33 1.530 -2.647 -19.913 1.00 -0.97 N ATOM 548 NH2 ARG A 33 2.800 -4.552 -20.037 1.00 -0.97 N ATOM 0 H ARG A 33 2.462 0.900 -14.705 1.00 -0.73 H new ATOM 0 HA ARG A 33 0.676 -1.244 -14.754 1.00 0.36 H new ATOM 0 HB2 ARG A 33 3.563 -0.739 -15.383 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.141 -2.418 -15.108 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.549 -2.433 -16.906 1.00 0.00 H new ATOM 0 HG3 ARG A 33 1.509 -0.684 -17.000 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.066 -0.806 -18.637 1.00 0.33 H new ATOM 0 HD3 ARG A 33 4.223 -1.309 -17.421 1.00 0.33 H new ATOM 0 HE ARG A 33 4.191 -3.467 -18.276 1.00 -0.84 H new ATOM 0 HH11 ARG A 33 1.343 -1.729 -19.509 1.00 -0.97 H new ATOM 0 HH12 ARG A 33 0.913 -3.024 -20.632 1.00 -0.97 H new ATOM 0 HH21 ARG A 33 3.596 -5.112 -19.731 1.00 -0.97 H new ATOM 0 HH22 ARG A 33 2.170 -4.911 -20.755 1.00 -0.97 H new ATOM 562 N LEU A 34 2.836 -1.433 -12.243 1.00 -0.73 N ATOM 563 CA LEU A 34 3.129 -2.095 -10.981 1.00 0.36 C ATOM 564 C LEU A 34 1.991 -1.837 -9.999 1.00 0.57 C ATOM 565 O LEU A 34 1.563 -2.783 -9.351 1.00 -0.57 O ATOM 566 CB LEU A 34 4.480 -1.636 -10.392 1.00 0.00 C ATOM 567 CG LEU A 34 5.753 -2.053 -11.167 1.00 0.00 C ATOM 568 CD1 LEU A 34 6.991 -1.766 -10.308 1.00 0.00 C ATOM 569 CD2 LEU A 34 5.788 -3.505 -11.667 1.00 0.00 C ATOM 0 H LEU A 34 3.465 -0.655 -12.442 1.00 -0.73 H new ATOM 0 HA LEU A 34 3.213 -3.166 -11.165 1.00 0.36 H new ATOM 0 HB2 LEU A 34 4.467 -0.549 -10.318 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.558 -2.023 -9.376 1.00 0.00 H new ATOM 0 HG LEU A 34 5.744 -1.450 -12.075 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.888 -2.059 -10.853 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.037 -0.701 -10.080 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.929 -2.333 -9.379 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.724 -3.685 -12.195 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.714 -4.184 -10.818 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.951 -3.677 -12.344 1.00 0.00 H new ATOM 581 N VAL A 35 1.452 -0.611 -9.931 1.00 -0.73 N ATOM 582 CA VAL A 35 0.245 -0.306 -9.169 1.00 0.36 C ATOM 583 C VAL A 35 -0.893 -1.195 -9.653 1.00 0.57 C ATOM 584 O VAL A 35 -1.501 -1.855 -8.821 1.00 -0.57 O ATOM 585 CB VAL A 35 -0.079 1.211 -9.221 1.00 0.00 C ATOM 586 CG1 VAL A 35 -1.570 1.575 -9.251 1.00 0.00 C ATOM 587 CG2 VAL A 35 0.554 1.894 -7.998 1.00 0.00 C ATOM 0 H VAL A 35 1.849 0.198 -10.409 1.00 -0.73 H new ATOM 0 HA VAL A 35 0.401 -0.529 -8.114 1.00 0.36 H new ATOM 0 HB VAL A 35 0.332 1.558 -10.169 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.679 2.659 -9.287 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.034 1.134 -10.133 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.056 1.191 -8.355 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.334 2.961 -8.023 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.144 1.460 -7.086 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.634 1.746 -8.017 1.00 0.00 H new ATOM 597 N SER A 36 -1.155 -1.281 -10.962 1.00 -0.73 N ATOM 598 CA SER A 36 -2.231 -2.115 -11.482 1.00 0.36 C ATOM 599 C SER A 36 -1.989 -3.594 -11.178 1.00 0.57 C ATOM 600 O SER A 36 -2.929 -4.276 -10.793 1.00 -0.57 O ATOM 601 CB SER A 36 -2.429 -1.886 -12.984 1.00 0.28 C ATOM 602 OG SER A 36 -3.616 -1.154 -13.206 1.00 -0.68 O ATOM 0 H SER A 36 -0.631 -0.779 -11.679 1.00 -0.73 H new ATOM 0 HA SER A 36 -3.149 -1.821 -10.974 1.00 0.36 H new ATOM 0 HB2 SER A 36 -1.576 -1.345 -13.394 1.00 0.28 H new ATOM 0 HB3 SER A 36 -2.479 -2.843 -13.503 1.00 0.28 H new ATOM 0 HG SER A 36 -3.736 -1.009 -14.168 1.00 -0.68 H new ATOM 608 N LYS A 37 -0.760 -4.104 -11.306 1.00 -0.73 N ATOM 609 CA LYS A 37 -0.432 -5.490 -10.970 1.00 0.36 C ATOM 610 C LYS A 37 -0.609 -5.745 -9.464 1.00 0.57 C ATOM 611 O LYS A 37 -1.273 -6.713 -9.094 1.00 -0.57 O ATOM 612 CB LYS A 37 0.984 -5.801 -11.495 1.00 0.00 C ATOM 613 CG LYS A 37 0.943 -6.187 -12.989 1.00 0.00 C ATOM 614 CD LYS A 37 2.230 -5.823 -13.750 1.00 0.00 C ATOM 615 CE LYS A 37 2.376 -6.595 -15.069 1.00 0.50 C ATOM 616 NZ LYS A 37 1.255 -6.379 -16.007 1.00 -0.85 N ATOM 0 H LYS A 37 0.036 -3.565 -11.646 1.00 -0.73 H new ATOM 0 HA LYS A 37 -1.121 -6.180 -11.457 1.00 0.36 H new ATOM 0 HB2 LYS A 37 1.627 -4.932 -11.357 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.420 -6.615 -10.916 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.770 -7.260 -13.075 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.097 -5.689 -13.462 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.234 -4.753 -13.958 1.00 0.00 H new ATOM 0 HD3 LYS A 37 3.093 -6.028 -13.116 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.306 -6.298 -15.553 1.00 0.50 H new ATOM 0 HE3 LYS A 37 2.456 -7.660 -14.850 1.00 0.50 H new ATOM 0 HZ1 LYS A 37 1.434 -6.902 -16.888 1.00 -0.85 H new ATOM 0 HZ2 LYS A 37 0.372 -6.719 -15.576 1.00 -0.85 H new ATOM 0 HZ3 LYS A 37 1.169 -5.364 -16.218 1.00 -0.85 H new ATOM 630 N ALA A 38 -0.103 -4.854 -8.606 1.00 -0.73 N ATOM 631 CA ALA A 38 -0.251 -4.915 -7.153 1.00 0.36 C ATOM 632 C ALA A 38 -1.714 -4.822 -6.711 1.00 0.57 C ATOM 633 O ALA A 38 -2.165 -5.587 -5.860 1.00 -0.57 O ATOM 634 CB ALA A 38 0.527 -3.748 -6.539 1.00 0.00 C ATOM 0 H ALA A 38 0.437 -4.046 -8.916 1.00 -0.73 H new ATOM 0 HA ALA A 38 0.134 -5.877 -6.815 1.00 0.36 H new ATOM 0 HB1 ALA A 38 0.429 -3.776 -5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.580 -3.830 -6.810 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.127 -2.806 -6.915 1.00 0.00 H new ATOM 640 N LEU A 39 -2.466 -3.880 -7.285 1.00 -0.73 N ATOM 641 CA LEU A 39 -3.878 -3.688 -6.989 1.00 0.36 C ATOM 642 C LEU A 39 -4.701 -4.838 -7.541 1.00 0.57 C ATOM 643 O LEU A 39 -5.628 -5.274 -6.866 1.00 -0.57 O ATOM 644 CB LEU A 39 -4.384 -2.363 -7.576 1.00 0.00 C ATOM 645 CG LEU A 39 -4.085 -1.141 -6.697 1.00 0.00 C ATOM 646 CD1 LEU A 39 -4.540 0.137 -7.405 1.00 0.00 C ATOM 647 CD2 LEU A 39 -4.791 -1.240 -5.332 1.00 0.00 C ATOM 0 H LEU A 39 -2.102 -3.224 -7.976 1.00 -0.73 H new ATOM 0 HA LEU A 39 -3.990 -3.658 -5.905 1.00 0.36 H new ATOM 0 HB2 LEU A 39 -3.930 -2.214 -8.556 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.461 -2.433 -7.731 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.009 -1.112 -6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.324 0.999 -6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.009 0.238 -8.351 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.612 0.086 -7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.557 -0.358 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.869 -1.300 -5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.448 -2.133 -4.809 1.00 0.00 H new ATOM 659 N ASN A 40 -4.356 -5.371 -8.716 1.00 -0.73 N ATOM 660 CA ASN A 40 -4.946 -6.592 -9.248 1.00 0.36 C ATOM 661 C ASN A 40 -4.705 -7.750 -8.280 1.00 0.57 C ATOM 662 O ASN A 40 -5.610 -8.542 -8.064 1.00 -0.57 O ATOM 663 CB ASN A 40 -4.361 -6.893 -10.639 1.00 0.06 C ATOM 664 CG ASN A 40 -4.756 -8.253 -11.198 1.00 0.57 C ATOM 665 OD1 ASN A 40 -5.631 -8.371 -12.043 1.00 -0.57 O ATOM 666 ND2 ASN A 40 -4.056 -9.313 -10.820 1.00 -0.80 N ATOM 0 H ASN A 40 -3.651 -4.959 -9.328 1.00 -0.73 H new ATOM 0 HA ASN A 40 -6.023 -6.461 -9.356 1.00 0.36 H new ATOM 0 HB2 ASN A 40 -4.686 -6.118 -11.333 1.00 0.06 H new ATOM 0 HB3 ASN A 40 -3.274 -6.836 -10.584 1.00 0.06 H new ATOM 0 HD21 ASN A 40 -4.248 -10.225 -11.234 1.00 -0.80 H new ATOM 0 HD22 ASN A 40 -3.325 -9.217 -10.115 1.00 -0.80 H new ATOM 673 N MET A 41 -3.511 -7.855 -7.688 1.00 -0.73 N ATOM 674 CA MET A 41 -3.195 -8.858 -6.674 1.00 0.36 C ATOM 675 C MET A 41 -3.993 -8.655 -5.375 1.00 0.57 C ATOM 676 O MET A 41 -4.362 -9.644 -4.751 1.00 -0.57 O ATOM 677 CB MET A 41 -1.679 -8.829 -6.421 1.00 0.00 C ATOM 678 CG MET A 41 -0.882 -9.676 -7.420 1.00 0.23 C ATOM 679 SD MET A 41 0.766 -9.015 -7.810 1.00 -0.46 S ATOM 680 CE MET A 41 1.498 -8.859 -6.159 1.00 0.23 C ATOM 0 H MET A 41 -2.729 -7.237 -7.904 1.00 -0.73 H new ATOM 0 HA MET A 41 -3.489 -9.840 -7.044 1.00 0.36 H new ATOM 0 HB2 MET A 41 -1.329 -7.798 -6.469 1.00 0.00 H new ATOM 0 HB3 MET A 41 -1.479 -9.187 -5.411 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.771 -10.683 -7.018 1.00 0.23 H new ATOM 0 HG3 MET A 41 -1.454 -9.762 -8.344 1.00 0.23 H new ATOM 0 HE1 MET A 41 2.549 -8.584 -6.251 1.00 0.23 H new ATOM 0 HE2 MET A 41 0.969 -8.089 -5.598 1.00 0.23 H new ATOM 0 HE3 MET A 41 1.417 -9.811 -5.634 1.00 0.23 H new ATOM 690 N TRP A 42 -4.310 -7.413 -4.986 1.00 -0.73 N ATOM 691 CA TRP A 42 -5.224 -7.125 -3.876 1.00 0.36 C ATOM 692 C TRP A 42 -6.680 -7.477 -4.249 1.00 0.57 C ATOM 693 O TRP A 42 -7.363 -8.207 -3.530 1.00 -0.57 O ATOM 694 CB TRP A 42 -5.064 -5.644 -3.471 1.00 0.18 C ATOM 695 CG TRP A 42 -4.167 -5.422 -2.293 1.00 -0.18 C ATOM 696 CD1 TRP A 42 -2.839 -5.174 -2.299 1.00 -0.30 C ATOM 697 CD2 TRP A 42 -4.544 -5.443 -0.891 1.00 0.00 C ATOM 698 NE1 TRP A 42 -2.371 -5.099 -0.997 1.00 0.03 N ATOM 699 CE2 TRP A 42 -3.375 -5.363 -0.088 1.00 -0.15 C ATOM 700 CE3 TRP A 42 -5.777 -5.528 -0.225 1.00 -0.15 C ATOM 701 CZ2 TRP A 42 -3.430 -5.483 1.308 1.00 -0.15 C ATOM 702 CZ3 TRP A 42 -5.837 -5.614 1.174 1.00 -0.15 C ATOM 703 CH2 TRP A 42 -4.668 -5.620 1.946 1.00 -0.15 C ATOM 0 H TRP A 42 -3.937 -6.577 -5.435 1.00 -0.73 H new ATOM 0 HA TRP A 42 -4.972 -7.748 -3.018 1.00 0.36 H new ATOM 0 HB2 TRP A 42 -4.672 -5.087 -4.322 1.00 0.18 H new ATOM 0 HB3 TRP A 42 -6.048 -5.232 -3.247 1.00 0.18 H new ATOM 0 HD1 TRP A 42 -2.233 -5.053 -3.185 1.00 -0.30 H new ATOM 0 HE1 TRP A 42 -1.408 -4.877 -0.743 1.00 0.03 H new ATOM 0 HE3 TRP A 42 -6.693 -5.527 -0.798 1.00 -0.15 H new ATOM 0 HZ2 TRP A 42 -2.520 -5.470 1.889 1.00 -0.15 H new ATOM 0 HZ3 TRP A 42 -6.798 -5.676 1.663 1.00 -0.15 H new ATOM 0 HH2 TRP A 42 -4.721 -5.729 3.019 1.00 -0.15 H new ATOM 714 N GLY A 43 -7.145 -7.013 -5.414 1.00 -0.73 N ATOM 715 CA GLY A 43 -8.486 -7.258 -5.938 1.00 0.36 C ATOM 716 C GLY A 43 -8.700 -8.703 -6.411 1.00 0.57 C ATOM 717 O GLY A 43 -9.824 -9.120 -6.667 1.00 -0.57 O ATOM 0 H GLY A 43 -6.577 -6.438 -6.036 1.00 -0.73 H new ATOM 0 HA2 GLY A 43 -9.219 -7.024 -5.165 1.00 0.36 H new ATOM 0 HA3 GLY A 43 -8.673 -6.579 -6.770 1.00 0.36 H new ATOM 721 N LYS A 44 -7.638 -9.504 -6.511 1.00 -0.73 N ATOM 722 CA LYS A 44 -7.733 -10.942 -6.745 1.00 0.36 C ATOM 723 C LYS A 44 -8.467 -11.637 -5.598 1.00 0.57 C ATOM 724 O LYS A 44 -9.105 -12.666 -5.838 1.00 -0.57 O ATOM 725 CB LYS A 44 -6.318 -11.516 -6.948 1.00 0.00 C ATOM 726 CG LYS A 44 -5.936 -11.675 -8.430 1.00 0.00 C ATOM 727 CD LYS A 44 -6.024 -13.147 -8.854 1.00 0.00 C ATOM 728 CE LYS A 44 -5.469 -13.339 -10.267 1.00 0.50 C ATOM 729 NZ LYS A 44 -4.013 -13.601 -10.239 1.00 -0.85 N ATOM 0 H LYS A 44 -6.679 -9.167 -6.431 1.00 -0.73 H new ATOM 0 HA LYS A 44 -8.316 -11.125 -7.647 1.00 0.36 H new ATOM 0 HB2 LYS A 44 -5.594 -10.862 -6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -6.252 -12.487 -6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -6.600 -11.072 -9.049 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.924 -11.304 -8.592 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.466 -13.766 -8.152 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.061 -13.479 -8.818 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.981 -14.170 -10.752 1.00 0.50 H new ATOM 0 HE3 LYS A 44 -5.670 -12.449 -10.863 1.00 0.50 H new ATOM 0 HZ1 LYS A 44 -3.664 -13.727 -11.211 1.00 -0.85 H new ATOM 0 HZ2 LYS A 44 -3.524 -12.796 -9.797 1.00 -0.85 H new ATOM 0 HZ3 LYS A 44 -3.826 -14.464 -9.689 1.00 -0.85 H new ATOM 743 N GLU A 45 -8.425 -11.058 -4.391 1.00 -0.73 N ATOM 744 CA GLU A 45 -9.054 -11.634 -3.214 1.00 0.36 C ATOM 745 C GLU A 45 -10.426 -10.994 -2.958 1.00 0.57 C ATOM 746 O GLU A 45 -11.360 -11.710 -2.597 1.00 -0.57 O ATOM 747 CB GLU A 45 -8.154 -11.418 -1.994 1.00 0.00 C ATOM 748 CG GLU A 45 -6.741 -12.021 -2.088 1.00 0.06 C ATOM 749 CD GLU A 45 -6.752 -13.545 -1.921 1.00 0.66 C ATOM 750 OE1 GLU A 45 -6.914 -13.977 -0.791 1.00 -0.57 O ATOM 751 OE2 GLU A 45 -6.618 -14.291 -3.014 1.00 -0.65 O ATOM 0 H GLU A 45 -7.950 -10.173 -4.212 1.00 -0.73 H new ATOM 0 HA GLU A 45 -9.196 -12.701 -3.386 1.00 0.36 H new ATOM 0 HB2 GLU A 45 -8.060 -10.346 -1.821 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.651 -11.840 -1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.302 -11.766 -3.052 1.00 0.06 H new ATOM 0 HG3 GLU A 45 -6.106 -11.577 -1.321 1.00 0.06 H new ATOM 759 N ILE A 46 -10.568 -9.677 -3.177 1.00 -0.73 N ATOM 760 CA ILE A 46 -11.815 -8.938 -2.960 1.00 0.36 C ATOM 761 C ILE A 46 -12.332 -8.359 -4.276 1.00 0.57 C ATOM 762 O ILE A 46 -11.545 -7.743 -4.986 1.00 -0.57 O ATOM 763 CB ILE A 46 -11.653 -7.810 -1.912 1.00 0.00 C ATOM 764 CG1 ILE A 46 -10.393 -6.927 -2.073 1.00 0.00 C ATOM 765 CG2 ILE A 46 -11.751 -8.472 -0.538 1.00 0.00 C ATOM 766 CD1 ILE A 46 -10.344 -5.733 -1.105 1.00 0.00 C ATOM 0 H ILE A 46 -9.806 -9.090 -3.515 1.00 -0.73 H new ATOM 0 HA ILE A 46 -12.542 -9.649 -2.568 1.00 0.36 H new ATOM 0 HB ILE A 46 -12.450 -7.081 -2.058 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -9.507 -7.543 -1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.350 -6.555 -3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.642 -7.715 0.239 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -12.721 -8.959 -0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.960 -9.214 -0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -9.432 -5.161 -1.278 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -11.211 -5.093 -1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -10.355 -6.097 -0.078 1.00 0.00 H new ATOM 778 N PRO A 47 -13.645 -8.444 -4.576 1.00 -0.66 N ATOM 779 CA PRO A 47 -14.243 -7.933 -5.816 1.00 0.36 C ATOM 780 C PRO A 47 -14.340 -6.392 -5.846 1.00 0.57 C ATOM 781 O PRO A 47 -15.321 -5.806 -6.313 1.00 -0.57 O ATOM 782 CB PRO A 47 -15.592 -8.657 -5.928 1.00 0.00 C ATOM 783 CG PRO A 47 -15.985 -8.975 -4.486 1.00 0.00 C ATOM 784 CD PRO A 47 -14.655 -9.080 -3.743 1.00 0.30 C ATOM 0 HA PRO A 47 -13.623 -8.140 -6.688 1.00 0.36 H new ATOM 0 HB2 PRO A 47 -16.339 -8.028 -6.412 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -15.505 -9.566 -6.524 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.615 -8.192 -4.064 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -16.549 -9.906 -4.424 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -14.717 -8.589 -2.772 1.00 0.30 H new ATOM 0 HD3 PRO A 47 -14.399 -10.123 -3.557 1.00 0.30 H new ATOM 792 N LEU A 48 -13.319 -5.726 -5.317 1.00 -0.73 N ATOM 793 CA LEU A 48 -13.214 -4.291 -5.198 1.00 0.36 C ATOM 794 C LEU A 48 -12.475 -3.780 -6.427 1.00 0.57 C ATOM 795 O LEU A 48 -11.500 -4.389 -6.868 1.00 -0.57 O ATOM 796 CB LEU A 48 -12.471 -3.979 -3.893 1.00 0.00 C ATOM 797 CG LEU A 48 -13.062 -2.743 -3.208 1.00 0.00 C ATOM 798 CD1 LEU A 48 -12.811 -2.820 -1.714 1.00 0.00 C ATOM 799 CD2 LEU A 48 -12.474 -1.436 -3.705 1.00 0.00 C ATOM 0 H LEU A 48 -12.502 -6.207 -4.942 1.00 -0.73 H new ATOM 0 HA LEU A 48 -14.185 -3.798 -5.156 1.00 0.36 H new ATOM 0 HB2 LEU A 48 -12.532 -4.836 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.414 -3.813 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.126 -2.747 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.232 -1.940 -1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.282 -3.717 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.738 -2.859 -1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.939 -0.604 -3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.400 -1.427 -3.522 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.661 -1.336 -4.774 1.00 0.00 H new ATOM 811 N HIS A 49 -12.951 -2.667 -6.974 1.00 -0.73 N ATOM 812 CA HIS A 49 -12.441 -2.109 -8.215 1.00 0.36 C ATOM 813 C HIS A 49 -11.925 -0.701 -7.941 1.00 0.57 C ATOM 814 O HIS A 49 -12.143 -0.139 -6.866 1.00 -0.57 O ATOM 815 CB HIS A 49 -13.560 -2.113 -9.267 1.00 0.17 C ATOM 816 CG HIS A 49 -14.100 -3.480 -9.626 1.00 0.18 C ATOM 817 ND1 HIS A 49 -14.804 -4.351 -8.817 1.00 -0.70 N ATOM 818 CD2 HIS A 49 -14.034 -4.061 -10.864 1.00 0.20 C ATOM 819 CE1 HIS A 49 -15.143 -5.418 -9.558 1.00 0.65 C ATOM 820 NE2 HIS A 49 -14.722 -5.279 -10.829 1.00 -0.70 N ATOM 0 H HIS A 49 -13.709 -2.123 -6.562 1.00 -0.73 H new ATOM 0 HA HIS A 49 -11.616 -2.707 -8.603 1.00 0.36 H new ATOM 0 HB2 HIS A 49 -14.383 -1.499 -8.901 1.00 0.17 H new ATOM 0 HB3 HIS A 49 -13.186 -1.638 -10.174 1.00 0.17 H new ATOM 0 HD1 HIS A 49 -15.027 -4.209 -7.832 1.00 -0.70 H new ATOM 0 HD2 HIS A 49 -13.533 -3.647 -11.726 1.00 0.20 H new ATOM 0 HE1 HIS A 49 -15.683 -6.275 -9.184 1.00 0.65 H new ATOM 829 N PHE A 50 -11.248 -0.097 -8.916 1.00 -0.73 N ATOM 830 CA PHE A 50 -10.637 1.203 -8.712 1.00 0.36 C ATOM 831 C PHE A 50 -10.808 2.023 -9.992 1.00 0.57 C ATOM 832 O PHE A 50 -10.927 1.460 -11.083 1.00 -0.57 O ATOM 833 CB PHE A 50 -9.170 1.037 -8.250 1.00 0.14 C ATOM 834 CG PHE A 50 -8.828 -0.256 -7.520 1.00 -0.14 C ATOM 835 CD1 PHE A 50 -9.130 -0.419 -6.154 1.00 -0.15 C ATOM 836 CD2 PHE A 50 -8.261 -1.331 -8.238 1.00 -0.15 C ATOM 837 CE1 PHE A 50 -8.885 -1.650 -5.517 1.00 -0.15 C ATOM 838 CE2 PHE A 50 -8.034 -2.564 -7.605 1.00 -0.15 C ATOM 839 CZ PHE A 50 -8.340 -2.723 -6.243 1.00 -0.15 C ATOM 0 H PHE A 50 -11.112 -0.489 -9.848 1.00 -0.73 H new ATOM 0 HA PHE A 50 -11.128 1.755 -7.910 1.00 0.36 H new ATOM 0 HB2 PHE A 50 -8.526 1.115 -9.126 1.00 0.14 H new ATOM 0 HB3 PHE A 50 -8.922 1.873 -7.597 1.00 0.14 H new ATOM 0 HD1 PHE A 50 -9.551 0.403 -5.594 1.00 -0.15 H new ATOM 0 HD2 PHE A 50 -8.001 -1.205 -9.279 1.00 -0.15 H new ATOM 0 HE1 PHE A 50 -9.116 -1.770 -4.469 1.00 -0.15 H new ATOM 0 HE2 PHE A 50 -7.624 -3.391 -8.166 1.00 -0.15 H new ATOM 0 HZ PHE A 50 -8.157 -3.669 -5.754 1.00 -0.15 H new ATOM 849 N ARG A 51 -10.817 3.353 -9.867 1.00 -0.73 N ATOM 850 CA ARG A 51 -10.943 4.261 -11.004 1.00 0.36 C ATOM 851 C ARG A 51 -9.999 5.443 -10.858 1.00 0.57 C ATOM 852 O ARG A 51 -9.580 5.783 -9.752 1.00 -0.57 O ATOM 853 CB ARG A 51 -12.386 4.781 -11.122 1.00 0.00 C ATOM 854 CG ARG A 51 -13.005 4.504 -12.496 1.00 0.00 C ATOM 855 CD ARG A 51 -13.658 3.118 -12.557 1.00 0.33 C ATOM 856 NE ARG A 51 -14.728 3.095 -13.565 1.00 -0.84 N ATOM 857 CZ ARG A 51 -15.936 3.663 -13.414 1.00 1.20 C ATOM 858 NH1 ARG A 51 -16.288 4.337 -12.314 1.00 -0.97 N ATOM 859 NH2 ARG A 51 -16.812 3.547 -14.410 1.00 -0.97 N ATOM 0 H ARG A 51 -10.737 3.830 -8.969 1.00 -0.73 H new ATOM 0 HA ARG A 51 -10.683 3.704 -11.904 1.00 0.36 H new ATOM 0 HB2 ARG A 51 -13.000 4.315 -10.351 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.397 5.854 -10.933 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.750 5.267 -12.719 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.234 4.577 -13.263 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -12.907 2.366 -12.799 1.00 0.33 H new ATOM 0 HD3 ARG A 51 -14.066 2.859 -11.580 1.00 0.33 H new ATOM 0 HE ARG A 51 -14.539 2.612 -14.444 1.00 -0.84 H new ATOM 0 HH11 ARG A 51 -15.627 4.437 -11.544 1.00 -0.97 H new ATOM 0 HH12 ARG A 51 -17.218 4.751 -12.245 1.00 -0.97 H new ATOM 0 HH21 ARG A 51 -16.557 3.038 -15.257 1.00 -0.97 H new ATOM 0 HH22 ARG A 51 -17.738 3.967 -14.326 1.00 -0.97 H new ATOM 873 N LYS A 52 -9.731 6.118 -11.974 1.00 -0.73 N ATOM 874 CA LYS A 52 -8.872 7.286 -11.992 1.00 0.36 C ATOM 875 C LYS A 52 -9.740 8.533 -12.115 1.00 0.57 C ATOM 876 O LYS A 52 -10.783 8.517 -12.769 1.00 -0.57 O ATOM 877 CB LYS A 52 -7.881 7.154 -13.153 1.00 0.00 C ATOM 878 CG LYS A 52 -6.632 8.001 -12.899 1.00 0.00 C ATOM 879 CD LYS A 52 -5.558 7.687 -13.947 1.00 0.00 C ATOM 880 CE LYS A 52 -4.355 8.617 -13.780 1.00 0.50 C ATOM 881 NZ LYS A 52 -4.502 9.828 -14.613 1.00 -0.85 N ATOM 0 H LYS A 52 -10.106 5.865 -12.888 1.00 -0.73 H new ATOM 0 HA LYS A 52 -8.297 7.368 -11.070 1.00 0.36 H new ATOM 0 HB2 LYS A 52 -7.598 6.109 -13.279 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.357 7.469 -14.081 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.888 9.060 -12.936 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.245 7.801 -11.900 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.239 6.649 -13.849 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.975 7.799 -14.948 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.254 8.902 -12.733 1.00 0.50 H new ATOM 0 HE3 LYS A 52 -3.442 8.090 -14.057 1.00 0.50 H new ATOM 0 HZ1 LYS A 52 -3.673 10.442 -14.482 1.00 -0.85 H new ATOM 0 HZ2 LYS A 52 -4.575 9.554 -15.614 1.00 -0.85 H new ATOM 0 HZ3 LYS A 52 -5.361 10.341 -14.331 1.00 -0.85 H new ATOM 895 N VAL A 53 -9.294 9.606 -11.471 1.00 -0.73 N ATOM 896 CA VAL A 53 -9.941 10.912 -11.512 1.00 0.36 C ATOM 897 C VAL A 53 -9.389 11.743 -12.675 1.00 0.57 C ATOM 898 O VAL A 53 -8.381 11.386 -13.290 1.00 -0.57 O ATOM 899 CB VAL A 53 -9.766 11.622 -10.154 1.00 0.00 C ATOM 900 CG1 VAL A 53 -10.420 10.767 -9.062 1.00 0.00 C ATOM 901 CG2 VAL A 53 -8.283 11.880 -9.834 1.00 0.00 C ATOM 0 H VAL A 53 -8.454 9.591 -10.893 1.00 -0.73 H new ATOM 0 HA VAL A 53 -11.010 10.787 -11.686 1.00 0.36 H new ATOM 0 HB VAL A 53 -10.252 12.597 -10.199 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.303 11.259 -8.096 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.481 10.646 -9.281 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -9.942 9.788 -9.031 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.201 12.382 -8.870 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.748 10.931 -9.796 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -7.848 12.511 -10.609 1.00 0.00 H new ATOM 911 N VAL A 54 -10.034 12.886 -12.936 1.00 -0.73 N ATOM 912 CA VAL A 54 -9.772 13.750 -14.088 1.00 0.36 C ATOM 913 C VAL A 54 -9.659 15.219 -13.637 1.00 0.57 C ATOM 914 O VAL A 54 -10.142 16.133 -14.300 1.00 -0.57 O ATOM 915 CB VAL A 54 -10.823 13.488 -15.195 1.00 0.00 C ATOM 916 CG1 VAL A 54 -10.706 12.049 -15.732 1.00 0.00 C ATOM 917 CG2 VAL A 54 -12.274 13.725 -14.736 1.00 0.00 C ATOM 0 H VAL A 54 -10.774 13.244 -12.332 1.00 -0.73 H new ATOM 0 HA VAL A 54 -8.808 13.512 -14.537 1.00 0.36 H new ATOM 0 HB VAL A 54 -10.601 14.211 -15.980 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -11.454 11.888 -16.508 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.711 11.896 -16.150 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.870 11.343 -14.918 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -12.955 13.522 -15.563 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -12.506 13.060 -13.904 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -12.390 14.761 -14.416 1.00 0.00 H new ATOM 927 N TRP A 55 -9.049 15.431 -12.464 1.00 -0.73 N ATOM 928 CA TRP A 55 -8.879 16.748 -11.858 1.00 0.36 C ATOM 929 C TRP A 55 -7.568 16.819 -11.085 1.00 0.57 C ATOM 930 O TRP A 55 -6.622 17.462 -11.538 1.00 -0.57 O ATOM 931 CB TRP A 55 -10.078 17.061 -10.952 1.00 0.18 C ATOM 932 CG TRP A 55 -11.183 17.751 -11.673 1.00 -0.18 C ATOM 933 CD1 TRP A 55 -12.344 17.205 -12.096 1.00 -0.30 C ATOM 934 CD2 TRP A 55 -11.185 19.124 -12.155 1.00 0.00 C ATOM 935 NE1 TRP A 55 -13.066 18.148 -12.796 1.00 0.03 N ATOM 936 CE2 TRP A 55 -12.401 19.359 -12.856 1.00 -0.15 C ATOM 937 CE3 TRP A 55 -10.249 20.181 -12.104 1.00 -0.15 C ATOM 938 CZ2 TRP A 55 -12.691 20.599 -13.447 1.00 -0.15 C ATOM 939 CZ3 TRP A 55 -10.519 21.421 -12.709 1.00 -0.15 C ATOM 940 CH2 TRP A 55 -11.743 21.635 -13.369 1.00 -0.15 C ATOM 0 H TRP A 55 -8.655 14.676 -11.903 1.00 -0.73 H new ATOM 0 HA TRP A 55 -8.836 17.500 -12.646 1.00 0.36 H new ATOM 0 HB2 TRP A 55 -10.455 16.133 -10.523 1.00 0.18 H new ATOM 0 HB3 TRP A 55 -9.747 17.685 -10.122 1.00 0.18 H new ATOM 0 HD1 TRP A 55 -12.658 16.188 -11.914 1.00 -0.30 H new ATOM 0 HE1 TRP A 55 -13.978 17.974 -13.218 1.00 0.03 H new ATOM 0 HE3 TRP A 55 -9.310 20.034 -11.591 1.00 -0.15 H new ATOM 0 HZ2 TRP A 55 -13.631 20.756 -13.955 1.00 -0.15 H new ATOM 0 HZ3 TRP A 55 -9.785 22.212 -12.667 1.00 -0.15 H new ATOM 0 HH2 TRP A 55 -11.955 22.595 -13.816 1.00 -0.15 H new ATOM 951 N GLY A 56 -7.502 16.148 -9.928 1.00 -0.73 N ATOM 952 CA GLY A 56 -6.284 16.114 -9.137 1.00 0.36 C ATOM 953 C GLY A 56 -6.461 15.723 -7.671 1.00 0.57 C ATOM 954 O GLY A 56 -5.630 16.119 -6.855 1.00 -0.57 O ATOM 0 H GLY A 56 -8.281 15.625 -9.527 1.00 -0.73 H new ATOM 0 HA2 GLY A 56 -5.590 15.413 -9.601 1.00 0.36 H new ATOM 0 HA3 GLY A 56 -5.817 17.098 -9.178 1.00 0.36 H new ATOM 958 N THR A 57 -7.517 14.976 -7.330 1.00 -0.73 N ATOM 959 CA THR A 57 -7.876 14.630 -5.962 1.00 0.36 C ATOM 960 C THR A 57 -8.663 13.321 -6.028 1.00 0.57 C ATOM 961 O THR A 57 -9.503 13.178 -6.916 1.00 -0.57 O ATOM 962 CB THR A 57 -8.690 15.785 -5.339 1.00 0.28 C ATOM 963 OG1 THR A 57 -9.030 15.465 -4.009 1.00 -0.68 O ATOM 964 CG2 THR A 57 -9.971 16.171 -6.101 1.00 0.00 C ATOM 0 H THR A 57 -8.159 14.588 -8.021 1.00 -0.73 H new ATOM 0 HA THR A 57 -7.002 14.488 -5.326 1.00 0.36 H new ATOM 0 HB THR A 57 -8.035 16.654 -5.393 1.00 0.28 H new ATOM 0 HG1 THR A 57 -9.545 16.201 -3.617 1.00 -0.68 H new ATOM 0 HG21 THR A 57 -10.470 16.990 -5.583 1.00 0.00 H new ATOM 0 HG22 THR A 57 -9.712 16.485 -7.112 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.639 15.311 -6.148 1.00 0.00 H new ATOM 972 N ALA A 58 -8.365 12.361 -5.143 1.00 -0.73 N ATOM 973 CA ALA A 58 -8.993 11.047 -5.122 1.00 0.36 C ATOM 974 C ALA A 58 -8.912 10.433 -3.720 1.00 0.57 C ATOM 975 O ALA A 58 -8.321 11.011 -2.799 1.00 -0.57 O ATOM 976 CB ALA A 58 -8.305 10.137 -6.141 1.00 0.00 C ATOM 0 H ALA A 58 -7.666 12.485 -4.410 1.00 -0.73 H new ATOM 0 HA ALA A 58 -10.045 11.152 -5.386 1.00 0.36 H new ATOM 0 HB1 ALA A 58 -8.774 9.153 -6.126 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.400 10.569 -7.137 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.249 10.039 -5.887 1.00 0.00 H new ATOM 982 N ASP A 59 -9.508 9.250 -3.566 1.00 -0.73 N ATOM 983 CA ASP A 59 -9.527 8.521 -2.305 1.00 0.36 C ATOM 984 C ASP A 59 -8.127 7.962 -1.983 1.00 0.57 C ATOM 985 O ASP A 59 -7.726 8.029 -0.825 1.00 -0.57 O ATOM 986 CB ASP A 59 -10.542 7.374 -2.366 1.00 0.06 C ATOM 987 CG ASP A 59 -11.970 7.730 -2.752 1.00 0.66 C ATOM 988 OD1 ASP A 59 -12.559 6.995 -3.527 1.00 -0.57 O ATOM 989 OD2 ASP A 59 -12.544 8.820 -2.251 1.00 -0.65 O ATOM 0 H ASP A 59 -9.995 8.769 -4.323 1.00 -0.73 H new ATOM 0 HA ASP A 59 -9.821 9.213 -1.516 1.00 0.36 H new ATOM 0 HB2 ASP A 59 -10.174 6.635 -3.077 1.00 0.06 H new ATOM 0 HB3 ASP A 59 -10.566 6.892 -1.389 1.00 0.06 H new ATOM 995 N ILE A 60 -7.371 7.505 -2.997 1.00 -0.73 N ATOM 996 CA ILE A 60 -6.029 6.909 -2.907 1.00 0.36 C ATOM 997 C ILE A 60 -5.063 7.797 -3.717 1.00 0.57 C ATOM 998 O ILE A 60 -4.714 7.517 -4.870 1.00 -0.57 O ATOM 999 CB ILE A 60 -6.028 5.430 -3.396 1.00 0.00 C ATOM 1000 CG1 ILE A 60 -7.076 4.528 -2.700 1.00 0.00 C ATOM 1001 CG2 ILE A 60 -4.631 4.792 -3.213 1.00 0.00 C ATOM 1002 CD1 ILE A 60 -7.382 3.249 -3.499 1.00 0.00 C ATOM 0 H ILE A 60 -7.703 7.545 -3.961 1.00 -0.73 H new ATOM 0 HA ILE A 60 -5.700 6.873 -1.868 1.00 0.36 H new ATOM 0 HB ILE A 60 -6.298 5.485 -4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.713 4.255 -1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.998 5.092 -2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.654 3.759 -3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.896 5.353 -3.790 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.357 4.813 -2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.123 2.655 -2.964 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.772 3.518 -4.481 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.468 2.667 -3.619 1.00 0.00 H new ATOM 1014 N MET A 61 -4.663 8.926 -3.139 1.00 -0.73 N ATOM 1015 CA MET A 61 -3.601 9.770 -3.654 1.00 0.36 C ATOM 1016 C MET A 61 -2.274 9.083 -3.342 1.00 0.57 C ATOM 1017 O MET A 61 -1.976 8.802 -2.182 1.00 -0.57 O ATOM 1018 CB MET A 61 -3.646 11.184 -3.043 1.00 0.00 C ATOM 1019 CG MET A 61 -2.560 12.118 -3.591 1.00 0.23 C ATOM 1020 SD MET A 61 -1.654 13.077 -2.337 1.00 -0.46 S ATOM 1021 CE MET A 61 -2.774 14.485 -2.112 1.00 0.23 C ATOM 0 H MET A 61 -5.081 9.283 -2.280 1.00 -0.73 H new ATOM 0 HA MET A 61 -3.723 9.898 -4.730 1.00 0.36 H new ATOM 0 HB2 MET A 61 -4.624 11.624 -3.235 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.538 11.108 -1.961 1.00 0.00 H new ATOM 0 HG2 MET A 61 -1.844 11.523 -4.157 1.00 0.23 H new ATOM 0 HG3 MET A 61 -3.022 12.813 -4.293 1.00 0.23 H new ATOM 0 HE1 MET A 61 -2.357 15.167 -1.371 1.00 0.23 H new ATOM 0 HE2 MET A 61 -2.894 15.009 -3.060 1.00 0.23 H new ATOM 0 HE3 MET A 61 -3.745 14.127 -1.770 1.00 0.23 H new ATOM 1031 N ILE A 62 -1.461 8.864 -4.374 1.00 -0.73 N ATOM 1032 CA ILE A 62 -0.118 8.315 -4.239 1.00 0.36 C ATOM 1033 C ILE A 62 0.818 9.458 -4.632 1.00 0.57 C ATOM 1034 O ILE A 62 0.692 10.006 -5.730 1.00 -0.57 O ATOM 1035 CB ILE A 62 0.025 7.055 -5.125 1.00 0.00 C ATOM 1036 CG1 ILE A 62 -0.942 5.919 -4.697 1.00 0.00 C ATOM 1037 CG2 ILE A 62 1.461 6.509 -5.117 1.00 0.00 C ATOM 1038 CD1 ILE A 62 -1.717 5.339 -5.885 1.00 0.00 C ATOM 0 H ILE A 62 -1.722 9.066 -5.339 1.00 -0.73 H new ATOM 0 HA ILE A 62 0.119 7.976 -3.231 1.00 0.36 H new ATOM 0 HB ILE A 62 -0.234 7.377 -6.134 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.374 5.124 -4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.646 6.303 -3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.517 5.624 -5.751 1.00 0.00 H new ATOM 0 HG22 ILE A 62 2.142 7.271 -5.495 1.00 0.00 H new ATOM 0 HG23 ILE A 62 1.744 6.243 -4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.380 4.548 -5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.307 6.126 -6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.016 4.930 -6.612 1.00 0.00 H new ATOM 1050 N GLY A 63 1.734 9.836 -3.737 1.00 -0.73 N ATOM 1051 CA GLY A 63 2.683 10.915 -3.983 1.00 0.36 C ATOM 1052 C GLY A 63 4.065 10.584 -3.450 1.00 0.57 C ATOM 1053 O GLY A 63 4.233 9.674 -2.645 1.00 -0.57 O ATOM 0 H GLY A 63 1.835 9.399 -2.821 1.00 -0.73 H new ATOM 0 HA2 GLY A 63 2.743 11.108 -5.054 1.00 0.36 H new ATOM 0 HA3 GLY A 63 2.322 11.830 -3.514 1.00 0.36 H new ATOM 1057 N PHE A 64 5.074 11.314 -3.911 1.00 -0.73 N ATOM 1058 CA PHE A 64 6.467 11.019 -3.621 1.00 0.36 C ATOM 1059 C PHE A 64 7.138 12.352 -3.314 1.00 0.57 C ATOM 1060 O PHE A 64 7.010 13.301 -4.099 1.00 -0.57 O ATOM 1061 CB PHE A 64 7.143 10.271 -4.791 1.00 0.14 C ATOM 1062 CG PHE A 64 6.438 9.000 -5.253 1.00 -0.14 C ATOM 1063 CD1 PHE A 64 5.234 9.096 -5.964 1.00 -0.15 C ATOM 1064 CD2 PHE A 64 6.962 7.724 -4.971 1.00 -0.15 C ATOM 1065 CE1 PHE A 64 4.533 7.947 -6.357 1.00 -0.15 C ATOM 1066 CE2 PHE A 64 6.238 6.570 -5.324 1.00 -0.15 C ATOM 1067 CZ PHE A 64 5.026 6.679 -6.026 1.00 -0.15 C ATOM 0 H PHE A 64 4.944 12.135 -4.502 1.00 -0.73 H new ATOM 0 HA PHE A 64 6.558 10.348 -2.767 1.00 0.36 H new ATOM 0 HB2 PHE A 64 7.219 10.952 -5.639 1.00 0.14 H new ATOM 0 HB3 PHE A 64 8.160 10.014 -4.496 1.00 0.14 H new ATOM 0 HD1 PHE A 64 4.840 10.070 -6.213 1.00 -0.15 H new ATOM 0 HD2 PHE A 64 7.921 7.631 -4.483 1.00 -0.15 H new ATOM 0 HE1 PHE A 64 3.613 8.040 -6.915 1.00 -0.15 H new ATOM 0 HE2 PHE A 64 6.616 5.595 -5.054 1.00 -0.15 H new ATOM 0 HZ PHE A 64 4.479 5.792 -6.308 1.00 -0.15 H new ATOM 1077 N ALA A 65 7.805 12.422 -2.160 1.00 -0.73 N ATOM 1078 CA ALA A 65 8.479 13.609 -1.643 1.00 0.36 C ATOM 1079 C ALA A 65 9.757 13.160 -0.928 1.00 0.57 C ATOM 1080 O ALA A 65 10.118 11.989 -1.006 1.00 -0.57 O ATOM 1081 CB ALA A 65 7.540 14.387 -0.707 1.00 0.00 C ATOM 0 H ALA A 65 7.892 11.619 -1.537 1.00 -0.73 H new ATOM 0 HA ALA A 65 8.747 14.285 -2.455 1.00 0.36 H new ATOM 0 HB1 ALA A 65 8.054 15.270 -0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.650 14.693 -1.257 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.249 13.750 0.128 1.00 0.00 H new ATOM 1087 N ARG A 66 10.476 14.078 -0.277 1.00 -0.73 N ATOM 1088 CA ARG A 66 11.743 13.782 0.381 1.00 0.36 C ATOM 1089 C ARG A 66 11.951 14.787 1.512 1.00 0.57 C ATOM 1090 O ARG A 66 11.681 15.977 1.331 1.00 -0.57 O ATOM 1091 CB ARG A 66 12.914 13.824 -0.631 1.00 0.00 C ATOM 1092 CG ARG A 66 12.958 15.052 -1.569 1.00 0.00 C ATOM 1093 CD ARG A 66 12.271 14.797 -2.923 1.00 0.33 C ATOM 1094 NE ARG A 66 11.771 16.029 -3.568 1.00 -0.84 N ATOM 1095 CZ ARG A 66 12.509 16.979 -4.165 1.00 1.20 C ATOM 1096 NH1 ARG A 66 13.836 16.964 -4.082 1.00 -0.97 N ATOM 1097 NH2 ARG A 66 11.914 17.940 -4.870 1.00 -0.97 N ATOM 0 H ARG A 66 10.190 15.053 -0.193 1.00 -0.73 H new ATOM 0 HA ARG A 66 11.716 12.774 0.795 1.00 0.36 H new ATOM 0 HB2 ARG A 66 13.850 13.784 -0.074 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.869 12.925 -1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 66 12.476 15.897 -1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.997 15.334 -1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.976 14.305 -3.593 1.00 0.33 H new ATOM 0 HD3 ARG A 66 11.438 14.109 -2.776 1.00 0.33 H new ATOM 0 HE ARG A 66 10.761 16.173 -3.559 1.00 -0.84 H new ATOM 0 HH11 ARG A 66 14.306 16.224 -3.560 1.00 -0.97 H new ATOM 0 HH12 ARG A 66 14.384 17.692 -4.540 1.00 -0.97 H new ATOM 0 HH21 ARG A 66 10.898 17.954 -4.956 1.00 -0.97 H new ATOM 0 HH22 ARG A 66 12.475 18.661 -5.323 1.00 -0.97 H new ATOM 1111 N GLY A 67 12.472 14.323 2.651 1.00 -0.73 N ATOM 1112 CA GLY A 67 12.828 15.180 3.774 1.00 0.36 C ATOM 1113 C GLY A 67 11.599 15.744 4.487 1.00 0.57 C ATOM 1114 O GLY A 67 11.101 15.131 5.426 1.00 -0.57 O ATOM 0 H GLY A 67 12.658 13.334 2.816 1.00 -0.73 H new ATOM 0 HA2 GLY A 67 13.429 14.613 4.485 1.00 0.36 H new ATOM 0 HA3 GLY A 67 13.448 16.003 3.418 1.00 0.36 H new ATOM 1118 N ALA A 68 11.114 16.917 4.064 1.00 -0.73 N ATOM 1119 CA ALA A 68 9.866 17.473 4.576 1.00 0.36 C ATOM 1120 C ALA A 68 8.670 16.752 3.942 1.00 0.57 C ATOM 1121 O ALA A 68 8.823 15.950 3.017 1.00 -0.57 O ATOM 1122 CB ALA A 68 9.813 18.980 4.303 1.00 0.00 C ATOM 0 H ALA A 68 11.574 17.499 3.364 1.00 -0.73 H new ATOM 0 HA ALA A 68 9.819 17.322 5.654 1.00 0.36 H new ATOM 0 HB1 ALA A 68 8.878 19.387 4.688 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.653 19.469 4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.871 19.157 3.229 1.00 0.00 H new ATOM 1128 N HIS A 69 7.467 17.058 4.437 1.00 -0.73 N ATOM 1129 CA HIS A 69 6.234 16.538 3.881 1.00 0.36 C ATOM 1130 C HIS A 69 5.091 17.507 4.182 1.00 0.57 C ATOM 1131 O HIS A 69 5.045 18.093 5.268 1.00 -0.57 O ATOM 1132 CB HIS A 69 5.950 15.149 4.479 1.00 0.17 C ATOM 1133 CG HIS A 69 5.743 14.062 3.466 1.00 0.18 C ATOM 1134 ND1 HIS A 69 5.328 14.181 2.162 1.00 -0.70 N flip ATOM 1135 CD2 HIS A 69 5.887 12.726 3.720 1.00 0.20 C flip ATOM 1136 CE1 HIS A 69 5.233 12.903 1.614 1.00 0.65 C flip ATOM 1137 NE2 HIS A 69 5.576 12.065 2.601 1.00 -0.70 N flip ATOM 0 H HIS A 69 7.330 17.676 5.237 1.00 -0.73 H new ATOM 0 HA HIS A 69 6.325 16.437 2.799 1.00 0.36 H new ATOM 0 HB2 HIS A 69 6.781 14.870 5.127 1.00 0.17 H new ATOM 0 HB3 HIS A 69 5.063 15.214 5.109 1.00 0.17 H new ATOM 0 HD2 HIS A 69 6.196 12.285 4.656 1.00 0.20 H new ATOM 0 HE1 HIS A 69 4.944 12.643 0.606 1.00 0.65 H new ATOM 0 HE2 HIS A 69 5.597 11.049 2.510 1.00 -0.70 H new ATOM 1146 N GLY A 70 4.171 17.653 3.223 1.00 -0.73 N ATOM 1147 CA GLY A 70 3.035 18.568 3.284 1.00 0.36 C ATOM 1148 C GLY A 70 1.740 17.871 3.705 1.00 0.57 C ATOM 1149 O GLY A 70 0.705 18.086 3.070 1.00 -0.57 O ATOM 0 H GLY A 70 4.201 17.118 2.355 1.00 -0.73 H new ATOM 0 HA2 GLY A 70 3.257 19.370 3.988 1.00 0.36 H new ATOM 0 HA3 GLY A 70 2.893 19.031 2.307 1.00 0.36 H new ATOM 1153 N ASP A 71 1.828 17.040 4.750 1.00 -0.73 N ATOM 1154 CA ASP A 71 0.780 16.142 5.268 1.00 0.36 C ATOM 1155 C ASP A 71 0.911 16.000 6.793 1.00 0.57 C ATOM 1156 O ASP A 71 0.555 14.976 7.378 1.00 -0.57 O ATOM 1157 CB ASP A 71 0.802 14.771 4.555 1.00 0.06 C ATOM 1158 CG ASP A 71 2.200 14.342 4.152 1.00 0.66 C ATOM 1159 OD1 ASP A 71 2.574 14.673 3.039 1.00 -0.57 O ATOM 1160 OD2 ASP A 71 2.893 13.577 4.991 1.00 -0.65 O ATOM 0 H ASP A 71 2.688 16.970 5.294 1.00 -0.73 H new ATOM 0 HA ASP A 71 -0.192 16.586 5.053 1.00 0.36 H new ATOM 0 HB2 ASP A 71 0.371 14.017 5.213 1.00 0.06 H new ATOM 0 HB3 ASP A 71 0.171 14.818 3.668 1.00 0.06 H new ATOM 1166 N SER A 72 1.451 17.032 7.459 1.00 -0.73 N ATOM 1167 CA SER A 72 1.537 17.172 8.917 1.00 0.36 C ATOM 1168 C SER A 72 2.669 16.323 9.511 1.00 0.57 C ATOM 1169 O SER A 72 3.365 16.781 10.415 1.00 -0.57 O ATOM 1170 CB SER A 72 0.184 16.835 9.572 1.00 0.28 C ATOM 1171 OG SER A 72 -0.025 17.572 10.759 1.00 -0.68 O ATOM 0 H SER A 72 1.859 17.829 6.970 1.00 -0.73 H new ATOM 0 HA SER A 72 1.776 18.213 9.135 1.00 0.36 H new ATOM 0 HB2 SER A 72 -0.622 17.044 8.868 1.00 0.28 H new ATOM 0 HB3 SER A 72 0.144 15.769 9.795 1.00 0.28 H new ATOM 0 HG SER A 72 -0.894 17.332 11.144 1.00 -0.68 H new ATOM 1177 N TYR A 73 2.873 15.109 8.989 1.00 -0.73 N ATOM 1178 CA TYR A 73 3.932 14.195 9.387 1.00 0.36 C ATOM 1179 C TYR A 73 5.168 14.426 8.509 1.00 0.57 C ATOM 1180 O TYR A 73 5.167 13.985 7.360 1.00 -0.57 O ATOM 1181 CB TYR A 73 3.443 12.743 9.258 1.00 0.14 C ATOM 1182 CG TYR A 73 2.652 12.275 10.460 1.00 -0.14 C ATOM 1183 CD1 TYR A 73 3.336 11.974 11.652 1.00 -0.15 C ATOM 1184 CD2 TYR A 73 1.250 12.148 10.399 1.00 -0.15 C ATOM 1185 CE1 TYR A 73 2.626 11.546 12.786 1.00 -0.15 C ATOM 1186 CE2 TYR A 73 0.532 11.730 11.535 1.00 -0.15 C ATOM 1187 CZ TYR A 73 1.219 11.431 12.738 1.00 0.08 C ATOM 1188 OH TYR A 73 0.538 11.042 13.853 1.00 -0.53 O ATOM 0 H TYR A 73 2.280 14.729 8.251 1.00 -0.73 H new ATOM 0 HA TYR A 73 4.201 14.380 10.427 1.00 0.36 H new ATOM 0 HB2 TYR A 73 2.824 12.652 8.365 1.00 0.14 H new ATOM 0 HB3 TYR A 73 4.302 12.087 9.118 1.00 0.14 H new ATOM 0 HD1 TYR A 73 4.411 12.072 11.695 1.00 -0.15 H new ATOM 0 HD2 TYR A 73 0.727 12.371 9.481 1.00 -0.15 H new ATOM 0 HE1 TYR A 73 3.156 11.305 13.695 1.00 -0.15 H new ATOM 0 HE2 TYR A 73 -0.543 11.637 11.490 1.00 -0.15 H new ATOM 0 HH TYR A 73 -0.422 11.013 13.657 1.00 -0.53 H new ATOM 1198 N PRO A 74 6.233 15.077 9.017 1.00 -0.66 N ATOM 1199 CA PRO A 74 7.463 15.206 8.262 1.00 0.36 C ATOM 1200 C PRO A 74 8.086 13.820 8.065 1.00 0.57 C ATOM 1201 O PRO A 74 8.038 12.967 8.958 1.00 -0.57 O ATOM 1202 CB PRO A 74 8.361 16.157 9.059 1.00 0.00 C ATOM 1203 CG PRO A 74 7.830 16.106 10.492 1.00 0.00 C ATOM 1204 CD PRO A 74 6.430 15.500 10.393 1.00 0.30 C ATOM 0 HA PRO A 74 7.305 15.614 7.263 1.00 0.36 H new ATOM 0 HB2 PRO A 74 9.404 15.843 9.014 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.315 17.170 8.658 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.475 15.499 11.127 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.795 17.102 10.932 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.330 14.653 11.072 1.00 0.30 H new ATOM 0 HD3 PRO A 74 5.675 16.231 10.681 1.00 0.30 H new ATOM 1212 N PHE A 75 8.673 13.632 6.882 1.00 -0.73 N ATOM 1213 CA PHE A 75 9.491 12.482 6.548 1.00 0.36 C ATOM 1214 C PHE A 75 10.842 12.576 7.275 1.00 0.57 C ATOM 1215 O PHE A 75 11.071 13.414 8.151 1.00 -0.57 O ATOM 1216 CB PHE A 75 9.668 12.408 5.008 1.00 0.14 C ATOM 1217 CG PHE A 75 9.059 11.220 4.283 1.00 -0.14 C ATOM 1218 CD1 PHE A 75 8.925 9.942 4.872 1.00 -0.15 C ATOM 1219 CD2 PHE A 75 8.634 11.417 2.958 1.00 -0.15 C ATOM 1220 CE1 PHE A 75 8.271 8.909 4.174 1.00 -0.15 C ATOM 1221 CE2 PHE A 75 8.000 10.381 2.261 1.00 -0.15 C ATOM 1222 CZ PHE A 75 7.777 9.146 2.881 1.00 -0.15 C ATOM 0 H PHE A 75 8.586 14.298 6.114 1.00 -0.73 H new ATOM 0 HA PHE A 75 9.003 11.565 6.877 1.00 0.36 H new ATOM 0 HB2 PHE A 75 9.245 13.316 4.578 1.00 0.14 H new ATOM 0 HB3 PHE A 75 10.736 12.421 4.792 1.00 0.14 H new ATOM 0 HD1 PHE A 75 9.325 9.758 5.858 1.00 -0.15 H new ATOM 0 HD2 PHE A 75 8.797 12.370 2.476 1.00 -0.15 H new ATOM 0 HE1 PHE A 75 8.150 7.938 4.631 1.00 -0.15 H new ATOM 0 HE2 PHE A 75 7.682 10.536 1.241 1.00 -0.15 H new ATOM 0 HZ PHE A 75 7.225 8.375 2.365 1.00 -0.15 H new ATOM 1232 N ASP A 76 11.739 11.678 6.887 1.00 -0.73 N ATOM 1233 CA ASP A 76 13.032 11.406 7.481 1.00 0.36 C ATOM 1234 C ASP A 76 14.108 11.540 6.395 1.00 0.57 C ATOM 1235 O ASP A 76 15.109 12.214 6.644 1.00 -0.57 O ATOM 1236 CB ASP A 76 12.980 9.966 8.041 1.00 0.06 C ATOM 1237 CG ASP A 76 12.420 8.892 7.085 1.00 0.66 C ATOM 1238 OD1 ASP A 76 12.020 9.193 5.972 1.00 -0.57 O ATOM 1239 OD2 ASP A 76 12.368 7.629 7.499 1.00 -0.65 O ATOM 0 H ASP A 76 11.562 11.075 6.084 1.00 -0.73 H new ATOM 0 HA ASP A 76 13.271 12.104 8.284 1.00 0.36 H new ATOM 0 HB2 ASP A 76 13.988 9.674 8.334 1.00 0.06 H new ATOM 0 HB3 ASP A 76 12.374 9.971 8.947 1.00 0.06 H new ATOM 1245 N GLY A 77 13.893 10.977 5.197 1.00 -0.73 N ATOM 1246 CA GLY A 77 14.845 10.962 4.098 1.00 0.36 C ATOM 1247 C GLY A 77 15.460 9.563 3.922 1.00 0.57 C ATOM 1248 O GLY A 77 14.791 8.561 4.201 1.00 -0.57 O ATOM 0 H GLY A 77 13.018 10.505 4.968 1.00 -0.73 H new ATOM 0 HA2 GLY A 77 14.347 11.263 3.176 1.00 0.36 H new ATOM 0 HA3 GLY A 77 15.635 11.690 4.286 1.00 0.36 H new ATOM 1252 N PRO A 78 16.728 9.483 3.455 1.00 -0.66 N ATOM 1253 CA PRO A 78 17.452 8.251 3.141 1.00 0.36 C ATOM 1254 C PRO A 78 17.856 7.457 4.395 1.00 0.57 C ATOM 1255 O PRO A 78 19.031 7.354 4.755 1.00 -0.57 O ATOM 1256 CB PRO A 78 18.614 8.669 2.233 1.00 0.00 C ATOM 1257 CG PRO A 78 18.904 10.113 2.633 1.00 0.00 C ATOM 1258 CD PRO A 78 17.582 10.634 3.191 1.00 0.30 C ATOM 0 HA PRO A 78 16.821 7.533 2.616 1.00 0.36 H new ATOM 0 HB2 PRO A 78 19.485 8.032 2.383 1.00 0.00 H new ATOM 0 HB3 PRO A 78 18.343 8.595 1.180 1.00 0.00 H new ATOM 0 HG2 PRO A 78 19.697 10.166 3.379 1.00 0.00 H new ATOM 0 HG3 PRO A 78 19.232 10.703 1.777 1.00 0.00 H new ATOM 0 HD2 PRO A 78 17.751 11.203 4.105 1.00 0.30 H new ATOM 0 HD3 PRO A 78 17.106 11.308 2.479 1.00 0.30 H new ATOM 1266 N GLY A 79 16.857 6.901 5.079 1.00 -0.73 N ATOM 1267 CA GLY A 79 16.981 6.066 6.262 1.00 0.36 C ATOM 1268 C GLY A 79 15.664 6.094 7.027 1.00 0.57 C ATOM 1269 O GLY A 79 14.852 6.973 6.764 1.00 -0.57 O ATOM 0 H GLY A 79 15.884 7.032 4.802 1.00 -0.73 H new ATOM 0 HA2 GLY A 79 17.230 5.044 5.977 1.00 0.36 H new ATOM 0 HA3 GLY A 79 17.792 6.427 6.895 1.00 0.36 H new ATOM 1273 N ASN A 80 15.464 5.178 7.986 1.00 -0.73 N ATOM 1274 CA ASN A 80 14.195 4.953 8.705 1.00 0.36 C ATOM 1275 C ASN A 80 12.977 4.809 7.752 1.00 0.57 C ATOM 1276 O ASN A 80 13.161 4.504 6.577 1.00 -0.57 O ATOM 1277 CB ASN A 80 14.026 6.024 9.810 1.00 0.06 C ATOM 1278 CG ASN A 80 13.487 5.497 11.141 1.00 0.57 C ATOM 1279 OD1 ASN A 80 13.432 4.300 11.404 1.00 -0.57 O ATOM 1280 ND2 ASN A 80 13.069 6.401 12.015 1.00 -0.80 N ATOM 0 H ASN A 80 16.206 4.550 8.295 1.00 -0.73 H new ATOM 0 HA ASN A 80 14.238 3.985 9.204 1.00 0.36 H new ATOM 0 HB2 ASN A 80 14.992 6.497 9.988 1.00 0.06 H new ATOM 0 HB3 ASN A 80 13.353 6.800 9.444 1.00 0.06 H new ATOM 0 HD21 ASN A 80 12.697 6.104 12.917 1.00 -0.80 H new ATOM 0 HD22 ASN A 80 13.119 7.394 11.786 1.00 -0.80 H new ATOM 1287 N THR A 81 11.744 4.989 8.256 1.00 -0.73 N ATOM 1288 CA THR A 81 10.444 4.894 7.574 1.00 0.36 C ATOM 1289 C THR A 81 10.468 5.306 6.080 1.00 0.57 C ATOM 1290 O THR A 81 10.531 6.480 5.732 1.00 -0.57 O ATOM 1291 CB THR A 81 9.439 5.724 8.409 1.00 0.28 C ATOM 1292 OG1 THR A 81 9.429 5.237 9.756 1.00 -0.68 O ATOM 1293 CG2 THR A 81 8.001 5.701 7.872 1.00 0.00 C ATOM 0 H THR A 81 11.622 5.226 9.241 1.00 -0.73 H new ATOM 0 HA THR A 81 10.142 3.848 7.527 1.00 0.36 H new ATOM 0 HB THR A 81 9.780 6.757 8.350 1.00 0.28 H new ATOM 0 HG1 THR A 81 8.795 5.761 10.289 1.00 -0.68 H new ATOM 0 HG21 THR A 81 7.363 6.307 8.515 1.00 0.00 H new ATOM 0 HG22 THR A 81 7.984 6.105 6.860 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.634 4.675 7.859 1.00 0.00 H new ATOM 1301 N LEU A 82 10.414 4.337 5.162 1.00 -0.73 N ATOM 1302 CA LEU A 82 10.559 4.533 3.721 1.00 0.36 C ATOM 1303 C LEU A 82 9.313 5.120 3.042 1.00 0.57 C ATOM 1304 O LEU A 82 9.424 5.801 2.019 1.00 -0.57 O ATOM 1305 CB LEU A 82 10.882 3.182 3.071 1.00 0.00 C ATOM 1306 CG LEU A 82 12.241 2.593 3.501 1.00 0.00 C ATOM 1307 CD1 LEU A 82 12.259 1.790 4.813 1.00 0.00 C ATOM 1308 CD2 LEU A 82 12.690 1.635 2.410 1.00 0.00 C ATOM 0 H LEU A 82 10.263 3.360 5.413 1.00 -0.73 H new ATOM 0 HA LEU A 82 11.361 5.258 3.584 1.00 0.36 H new ATOM 0 HB2 LEU A 82 10.094 2.472 3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.874 3.300 1.987 1.00 0.00 H new ATOM 0 HG LEU A 82 12.885 3.457 3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 82 13.270 1.430 5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 82 11.939 2.430 5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 82 11.581 0.941 4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.651 1.199 2.682 1.00 0.00 H new ATOM 0 HD22 LEU A 82 11.951 0.842 2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 82 12.791 2.176 1.469 1.00 0.00 H new ATOM 1320 N ALA A 83 8.121 4.842 3.576 1.00 -0.73 N ATOM 1321 CA ALA A 83 6.855 5.344 3.065 1.00 0.36 C ATOM 1322 C ALA A 83 5.845 5.342 4.207 1.00 0.57 C ATOM 1323 O ALA A 83 6.055 4.683 5.227 1.00 -0.57 O ATOM 1324 CB ALA A 83 6.376 4.502 1.873 1.00 0.00 C ATOM 0 H ALA A 83 8.013 4.246 4.397 1.00 -0.73 H new ATOM 0 HA ALA A 83 6.973 6.363 2.696 1.00 0.36 H new ATOM 0 HB1 ALA A 83 5.428 4.896 1.507 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.118 4.545 1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.242 3.467 2.189 1.00 0.00 H new ATOM 1330 N HIS A 84 4.755 6.091 4.059 1.00 -0.73 N ATOM 1331 CA HIS A 84 3.695 6.137 5.053 1.00 0.36 C ATOM 1332 C HIS A 84 2.359 6.404 4.361 1.00 0.57 C ATOM 1333 O HIS A 84 2.311 6.946 3.255 1.00 -0.57 O ATOM 1334 CB HIS A 84 4.035 7.160 6.163 1.00 0.17 C ATOM 1335 CG HIS A 84 4.057 8.631 5.793 1.00 0.18 C ATOM 1336 ND1 HIS A 84 4.131 9.687 6.681 1.00 -0.70 N ATOM 1337 CD2 HIS A 84 3.982 9.183 4.541 1.00 0.20 C ATOM 1338 CE1 HIS A 84 4.053 10.833 5.977 1.00 0.65 C ATOM 1339 NE2 HIS A 84 3.956 10.569 4.666 1.00 -0.70 N ATOM 0 H HIS A 84 4.585 6.682 3.245 1.00 -0.73 H new ATOM 0 HA HIS A 84 3.606 5.174 5.555 1.00 0.36 H new ATOM 0 HB2 HIS A 84 3.314 7.029 6.970 1.00 0.17 H new ATOM 0 HB3 HIS A 84 5.014 6.902 6.566 1.00 0.17 H new ATOM 0 HD2 HIS A 84 3.949 8.634 3.612 1.00 0.20 H new ATOM 0 HE1 HIS A 84 4.067 11.823 6.407 1.00 0.65 H new ATOM 0 HE2 HIS A 84 3.878 11.249 3.910 1.00 -0.70 H new ATOM 1348 N ALA A 85 1.266 6.046 5.032 1.00 -0.73 N ATOM 1349 CA ALA A 85 -0.081 6.178 4.511 1.00 0.36 C ATOM 1350 C ALA A 85 -1.039 6.371 5.673 1.00 0.57 C ATOM 1351 O ALA A 85 -0.664 6.197 6.839 1.00 -0.57 O ATOM 1352 CB ALA A 85 -0.448 4.923 3.708 1.00 0.00 C ATOM 0 H ALA A 85 1.299 5.649 5.971 1.00 -0.73 H new ATOM 0 HA ALA A 85 -0.146 7.041 3.848 1.00 0.36 H new ATOM 0 HB1 ALA A 85 -1.461 5.024 3.317 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.250 4.804 2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -0.395 4.048 4.356 1.00 0.00 H new ATOM 1358 N PHE A 86 -2.281 6.705 5.338 1.00 -0.73 N ATOM 1359 CA PHE A 86 -3.309 7.049 6.304 1.00 0.36 C ATOM 1360 C PHE A 86 -4.508 6.122 6.078 1.00 0.57 C ATOM 1361 O PHE A 86 -4.757 5.687 4.952 1.00 -0.57 O ATOM 1362 CB PHE A 86 -3.663 8.541 6.151 1.00 0.14 C ATOM 1363 CG PHE A 86 -2.498 9.448 5.753 1.00 -0.14 C ATOM 1364 CD1 PHE A 86 -1.370 9.605 6.582 1.00 -0.15 C ATOM 1365 CD2 PHE A 86 -2.505 10.069 4.490 1.00 -0.15 C ATOM 1366 CE1 PHE A 86 -0.275 10.378 6.151 1.00 -0.15 C ATOM 1367 CE2 PHE A 86 -1.420 10.850 4.059 1.00 -0.15 C ATOM 1368 CZ PHE A 86 -0.300 11.006 4.892 1.00 -0.15 C ATOM 0 H PHE A 86 -2.603 6.744 4.371 1.00 -0.73 H new ATOM 0 HA PHE A 86 -2.967 6.907 7.329 1.00 0.36 H new ATOM 0 HB2 PHE A 86 -4.449 8.637 5.402 1.00 0.14 H new ATOM 0 HB3 PHE A 86 -4.076 8.899 7.094 1.00 0.14 H new ATOM 0 HD1 PHE A 86 -1.345 9.131 7.552 1.00 -0.15 H new ATOM 0 HD2 PHE A 86 -3.359 9.943 3.841 1.00 -0.15 H new ATOM 0 HE1 PHE A 86 0.589 10.490 6.790 1.00 -0.15 H new ATOM 0 HE2 PHE A 86 -1.447 11.329 3.091 1.00 -0.15 H new ATOM 0 HZ PHE A 86 0.538 11.605 4.568 1.00 -0.15 H new ATOM 1378 N ALA A 87 -5.250 5.809 7.144 1.00 -0.73 N ATOM 1379 CA ALA A 87 -6.432 4.950 7.051 1.00 0.36 C ATOM 1380 C ALA A 87 -7.509 5.622 6.176 1.00 0.57 C ATOM 1381 O ALA A 87 -7.508 6.851 6.079 1.00 -0.57 O ATOM 1382 CB ALA A 87 -6.942 4.678 8.468 1.00 0.00 C ATOM 0 H ALA A 87 -5.050 6.141 8.088 1.00 -0.73 H new ATOM 0 HA ALA A 87 -6.180 4.001 6.577 1.00 0.36 H new ATOM 0 HB1 ALA A 87 -7.824 4.039 8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.163 4.180 9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.203 5.621 8.948 1.00 0.00 H new ATOM 1388 N PRO A 88 -8.426 4.872 5.532 1.00 -0.66 N ATOM 1389 CA PRO A 88 -9.437 5.455 4.655 1.00 0.36 C ATOM 1390 C PRO A 88 -10.448 6.300 5.436 1.00 0.57 C ATOM 1391 O PRO A 88 -10.514 6.243 6.665 1.00 -0.57 O ATOM 1392 CB PRO A 88 -10.088 4.287 3.924 1.00 0.00 C ATOM 1393 CG PRO A 88 -9.845 3.077 4.804 1.00 0.00 C ATOM 1394 CD PRO A 88 -8.599 3.429 5.623 1.00 0.30 C ATOM 0 HA PRO A 88 -8.991 6.149 3.942 1.00 0.36 H new ATOM 0 HB2 PRO A 88 -11.154 4.460 3.779 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.650 4.149 2.936 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.700 2.881 5.451 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.684 2.180 4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.719 3.119 6.661 1.00 0.30 H new ATOM 0 HD3 PRO A 88 -7.723 2.910 5.235 1.00 0.30 H new ATOM 1402 N GLY A 89 -11.238 7.100 4.712 1.00 -0.73 N ATOM 1403 CA GLY A 89 -12.194 8.015 5.312 1.00 0.36 C ATOM 1404 C GLY A 89 -12.749 8.963 4.258 1.00 0.57 C ATOM 1405 O GLY A 89 -13.413 8.509 3.328 1.00 -0.57 O ATOM 0 H GLY A 89 -11.227 7.126 3.692 1.00 -0.73 H new ATOM 0 HA2 GLY A 89 -13.008 7.453 5.770 1.00 0.36 H new ATOM 0 HA3 GLY A 89 -11.713 8.585 6.107 1.00 0.36 H new ATOM 1409 N THR A 90 -12.497 10.267 4.401 1.00 -0.73 N ATOM 1410 CA THR A 90 -13.167 11.312 3.625 1.00 0.36 C ATOM 1411 C THR A 90 -12.237 12.523 3.408 1.00 0.57 C ATOM 1412 O THR A 90 -12.464 13.604 3.953 1.00 -0.57 O ATOM 1413 CB THR A 90 -14.486 11.708 4.331 1.00 0.28 C ATOM 1414 OG1 THR A 90 -14.264 11.898 5.718 1.00 -0.68 O ATOM 1415 CG2 THR A 90 -15.588 10.650 4.193 1.00 0.00 C ATOM 0 H THR A 90 -11.814 10.630 5.066 1.00 -0.73 H new ATOM 0 HA THR A 90 -13.411 10.929 2.634 1.00 0.36 H new ATOM 0 HB THR A 90 -14.814 12.625 3.842 1.00 0.28 H new ATOM 0 HG1 THR A 90 -15.106 12.150 6.153 1.00 -0.68 H new ATOM 0 HG21 THR A 90 -16.485 10.990 4.710 1.00 0.00 H new ATOM 0 HG22 THR A 90 -15.814 10.495 3.138 1.00 0.00 H new ATOM 0 HG23 THR A 90 -15.249 9.712 4.633 1.00 0.00 H new ATOM 1423 N GLY A 91 -11.144 12.337 2.656 1.00 -0.73 N ATOM 1424 CA GLY A 91 -10.195 13.405 2.355 1.00 0.36 C ATOM 1425 C GLY A 91 -8.798 12.820 2.222 1.00 0.57 C ATOM 1426 O GLY A 91 -8.609 11.915 1.411 1.00 -0.57 O ATOM 0 H GLY A 91 -10.897 11.439 2.241 1.00 -0.73 H new ATOM 0 HA2 GLY A 91 -10.479 13.909 1.431 1.00 0.36 H new ATOM 0 HA3 GLY A 91 -10.213 14.155 3.146 1.00 0.36 H new ATOM 1430 N LEU A 92 -7.855 13.302 3.047 1.00 -0.73 N ATOM 1431 CA LEU A 92 -6.500 12.752 3.193 1.00 0.36 C ATOM 1432 C LEU A 92 -6.520 11.251 3.539 1.00 0.57 C ATOM 1433 O LEU A 92 -5.570 10.538 3.241 1.00 -0.57 O ATOM 1434 CB LEU A 92 -5.726 13.549 4.262 1.00 0.00 C ATOM 1435 CG LEU A 92 -4.224 13.172 4.374 1.00 0.00 C ATOM 1436 CD1 LEU A 92 -3.301 14.223 3.749 1.00 0.00 C ATOM 1437 CD2 LEU A 92 -3.838 12.939 5.840 1.00 0.00 C ATOM 0 H LEU A 92 -8.020 14.109 3.648 1.00 -0.73 H new ATOM 0 HA LEU A 92 -5.992 12.850 2.233 1.00 0.36 H new ATOM 0 HB2 LEU A 92 -5.806 14.612 4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.201 13.393 5.230 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.090 12.250 3.809 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.264 13.906 3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.539 14.333 2.691 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.443 15.178 4.254 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.782 12.676 5.901 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.019 13.849 6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.439 12.127 6.250 1.00 0.00 H new ATOM 1449 N GLY A 93 -7.589 10.744 4.166 1.00 -0.73 N ATOM 1450 CA GLY A 93 -7.714 9.317 4.432 1.00 0.36 C ATOM 1451 C GLY A 93 -7.425 8.495 3.174 1.00 0.57 C ATOM 1452 O GLY A 93 -7.798 8.904 2.073 1.00 -0.57 O ATOM 0 H GLY A 93 -8.375 11.305 4.495 1.00 -0.73 H new ATOM 0 HA2 GLY A 93 -7.023 9.030 5.225 1.00 0.36 H new ATOM 0 HA3 GLY A 93 -8.720 9.097 4.791 1.00 0.36 H new ATOM 1456 N GLY A 94 -6.725 7.369 3.343 1.00 -0.73 N ATOM 1457 CA GLY A 94 -6.333 6.454 2.279 1.00 0.36 C ATOM 1458 C GLY A 94 -5.074 6.882 1.533 1.00 0.57 C ATOM 1459 O GLY A 94 -4.407 6.028 0.945 1.00 -0.57 O ATOM 0 H GLY A 94 -6.406 7.063 4.262 1.00 -0.73 H new ATOM 0 HA2 GLY A 94 -6.173 5.463 2.705 1.00 0.36 H new ATOM 0 HA3 GLY A 94 -7.154 6.366 1.567 1.00 0.36 H new ATOM 1463 N ASP A 95 -4.753 8.180 1.537 1.00 -0.73 N ATOM 1464 CA ASP A 95 -3.647 8.712 0.754 1.00 0.36 C ATOM 1465 C ASP A 95 -2.336 8.198 1.345 1.00 0.57 C ATOM 1466 O ASP A 95 -2.249 7.849 2.529 1.00 -0.57 O ATOM 1467 CB ASP A 95 -3.738 10.255 0.686 1.00 0.06 C ATOM 1468 CG ASP A 95 -5.055 10.682 0.013 1.00 0.66 C ATOM 1469 OD1 ASP A 95 -5.513 9.977 -0.871 1.00 -0.57 O ATOM 1470 OD2 ASP A 95 -5.724 11.777 0.364 1.00 -0.65 O ATOM 0 H ASP A 95 -5.253 8.883 2.082 1.00 -0.73 H new ATOM 0 HA ASP A 95 -3.694 8.366 -0.279 1.00 0.36 H new ATOM 0 HB2 ASP A 95 -3.682 10.674 1.691 1.00 0.06 H new ATOM 0 HB3 ASP A 95 -2.890 10.652 0.127 1.00 0.06 H new ATOM 1476 N ALA A 96 -1.318 8.110 0.490 1.00 -0.73 N ATOM 1477 CA ALA A 96 -0.060 7.469 0.812 1.00 0.36 C ATOM 1478 C ALA A 96 1.066 8.212 0.127 1.00 0.57 C ATOM 1479 O ALA A 96 0.921 8.707 -0.997 1.00 -0.57 O ATOM 1480 CB ALA A 96 -0.082 6.005 0.358 1.00 0.00 C ATOM 0 H ALA A 96 -1.352 8.489 -0.456 1.00 -0.73 H new ATOM 0 HA ALA A 96 0.094 7.493 1.891 1.00 0.36 H new ATOM 0 HB1 ALA A 96 0.869 5.533 0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -0.891 5.479 0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.240 5.961 -0.720 1.00 0.00 H new ATOM 1486 N HIS A 97 2.214 8.249 0.799 1.00 -0.73 N ATOM 1487 CA HIS A 97 3.367 8.943 0.289 1.00 0.36 C ATOM 1488 C HIS A 97 4.642 8.174 0.574 1.00 0.57 C ATOM 1489 O HIS A 97 4.732 7.401 1.530 1.00 -0.57 O ATOM 1490 CB HIS A 97 3.470 10.346 0.865 1.00 0.17 C ATOM 1491 CG HIS A 97 2.268 11.244 0.772 1.00 0.18 C ATOM 1492 ND1 HIS A 97 1.870 12.055 1.803 1.00 -0.70 N ATOM 1493 CD2 HIS A 97 1.502 11.530 -0.323 1.00 0.20 C ATOM 1494 CE1 HIS A 97 0.862 12.822 1.348 1.00 0.65 C ATOM 1495 NE2 HIS A 97 0.603 12.502 0.063 1.00 -0.70 N ATOM 0 H HIS A 97 2.359 7.800 1.703 1.00 -0.73 H new ATOM 0 HA HIS A 97 3.241 9.021 -0.791 1.00 0.36 H new ATOM 0 HB2 HIS A 97 3.736 10.254 1.918 1.00 0.17 H new ATOM 0 HB3 HIS A 97 4.300 10.849 0.369 1.00 0.17 H new ATOM 0 HD2 HIS A 97 1.585 11.081 -1.302 1.00 0.20 H new ATOM 0 HE1 HIS A 97 0.342 13.575 1.921 1.00 0.65 H new ATOM 0 HE2 HIS A 97 -0.129 12.908 -0.520 1.00 -0.70 H new ATOM 1504 N PHE A 98 5.646 8.436 -0.252 1.00 -0.73 N ATOM 1505 CA PHE A 98 6.825 7.607 -0.400 1.00 0.36 C ATOM 1506 C PHE A 98 8.033 8.523 -0.468 1.00 0.57 C ATOM 1507 O PHE A 98 7.959 9.606 -1.060 1.00 -0.57 O ATOM 1508 CB PHE A 98 6.711 6.830 -1.712 1.00 0.14 C ATOM 1509 CG PHE A 98 5.580 5.821 -1.789 1.00 -0.14 C ATOM 1510 CD1 PHE A 98 4.251 6.255 -1.965 1.00 -0.15 C ATOM 1511 CD2 PHE A 98 5.852 4.443 -1.693 1.00 -0.15 C ATOM 1512 CE1 PHE A 98 3.195 5.332 -1.964 1.00 -0.15 C ATOM 1513 CE2 PHE A 98 4.798 3.515 -1.757 1.00 -0.15 C ATOM 1514 CZ PHE A 98 3.470 3.961 -1.882 1.00 -0.15 C ATOM 0 H PHE A 98 5.658 9.259 -0.855 1.00 -0.73 H new ATOM 0 HA PHE A 98 6.921 6.912 0.434 1.00 0.36 H new ATOM 0 HB2 PHE A 98 6.590 7.545 -2.526 1.00 0.14 H new ATOM 0 HB3 PHE A 98 7.651 6.307 -1.885 1.00 0.14 H new ATOM 0 HD1 PHE A 98 4.044 7.306 -2.102 1.00 -0.15 H new ATOM 0 HD2 PHE A 98 6.869 4.099 -1.570 1.00 -0.15 H new ATOM 0 HE1 PHE A 98 2.174 5.677 -2.026 1.00 -0.15 H new ATOM 0 HE2 PHE A 98 5.009 2.457 -1.710 1.00 -0.15 H new ATOM 0 HZ PHE A 98 2.662 3.246 -1.915 1.00 -0.15 H new ATOM 1524 N ASP A 99 9.131 8.094 0.152 1.00 -0.73 N ATOM 1525 CA ASP A 99 10.347 8.878 0.161 1.00 0.36 C ATOM 1526 C ASP A 99 11.064 8.642 -1.173 1.00 0.57 C ATOM 1527 O ASP A 99 11.610 7.566 -1.411 1.00 -0.57 O ATOM 1528 CB ASP A 99 11.192 8.526 1.387 1.00 0.06 C ATOM 1529 CG ASP A 99 12.168 9.666 1.676 1.00 0.66 C ATOM 1530 OD1 ASP A 99 12.885 10.037 0.761 1.00 -0.57 O ATOM 1531 OD2 ASP A 99 12.110 10.243 2.873 1.00 -0.65 O ATOM 0 H ASP A 99 9.195 7.207 0.652 1.00 -0.73 H new ATOM 0 HA ASP A 99 10.140 9.945 0.248 1.00 0.36 H new ATOM 0 HB2 ASP A 99 10.548 8.357 2.250 1.00 0.06 H new ATOM 0 HB3 ASP A 99 11.739 7.600 1.211 1.00 0.06 H new ATOM 1537 N GLU A 100 11.005 9.610 -2.093 1.00 -0.73 N ATOM 1538 CA GLU A 100 11.648 9.511 -3.403 1.00 0.36 C ATOM 1539 C GLU A 100 13.176 9.439 -3.258 1.00 0.57 C ATOM 1540 O GLU A 100 13.838 8.924 -4.154 1.00 -0.57 O ATOM 1541 CB GLU A 100 11.254 10.708 -4.297 1.00 0.00 C ATOM 1542 CG GLU A 100 11.482 10.451 -5.805 1.00 0.06 C ATOM 1543 CD GLU A 100 12.088 11.655 -6.545 1.00 0.66 C ATOM 1544 OE1 GLU A 100 13.300 11.706 -6.671 1.00 -0.57 O ATOM 1545 OE2 GLU A 100 11.248 12.559 -7.041 1.00 -0.65 O ATOM 0 H GLU A 100 10.507 10.488 -1.947 1.00 -0.73 H new ATOM 0 HA GLU A 100 11.302 8.593 -3.878 1.00 0.36 H new ATOM 0 HB2 GLU A 100 10.203 10.945 -4.131 1.00 0.00 H new ATOM 0 HB3 GLU A 100 11.829 11.583 -3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.142 9.591 -5.924 1.00 0.06 H new ATOM 0 HG3 GLU A 100 10.531 10.190 -6.269 1.00 0.06 H new ATOM 1553 N ASP A 101 13.743 9.942 -2.146 1.00 -0.73 N ATOM 1554 CA ASP A 101 15.193 9.921 -1.937 1.00 0.36 C ATOM 1555 C ASP A 101 15.659 8.496 -1.617 1.00 0.57 C ATOM 1556 O ASP A 101 16.820 8.162 -1.853 1.00 -0.57 O ATOM 1557 CB ASP A 101 15.603 10.890 -0.805 1.00 0.06 C ATOM 1558 CG ASP A 101 16.896 11.705 -1.045 1.00 0.66 C ATOM 1559 OD1 ASP A 101 17.374 11.828 -2.161 1.00 -0.57 O ATOM 1560 OD2 ASP A 101 17.420 12.336 0.002 1.00 -0.65 O ATOM 0 H ASP A 101 13.216 10.366 -1.383 1.00 -0.73 H new ATOM 0 HA ASP A 101 15.677 10.253 -2.856 1.00 0.36 H new ATOM 0 HB2 ASP A 101 14.783 11.588 -0.637 1.00 0.06 H new ATOM 0 HB3 ASP A 101 15.725 10.314 0.113 1.00 0.06 H new ATOM 1566 N GLU A 102 14.762 7.646 -1.094 1.00 -0.73 N ATOM 1567 CA GLU A 102 15.049 6.229 -0.927 1.00 0.36 C ATOM 1568 C GLU A 102 14.931 5.556 -2.291 1.00 0.57 C ATOM 1569 O GLU A 102 13.974 5.793 -3.027 1.00 -0.57 O ATOM 1570 CB GLU A 102 14.151 5.598 0.158 1.00 0.00 C ATOM 1571 CG GLU A 102 14.459 6.283 1.507 1.00 0.06 C ATOM 1572 CD GLU A 102 14.592 5.356 2.711 1.00 0.66 C ATOM 1573 OE1 GLU A 102 14.018 5.689 3.735 1.00 -0.57 O ATOM 1574 OE2 GLU A 102 15.392 4.302 2.577 1.00 -0.65 O ATOM 0 H GLU A 102 13.832 7.925 -0.781 1.00 -0.73 H new ATOM 0 HA GLU A 102 16.066 6.082 -0.564 1.00 0.36 H new ATOM 0 HB2 GLU A 102 13.099 5.724 -0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 102 14.336 4.526 0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.386 6.846 1.403 1.00 0.06 H new ATOM 0 HG3 GLU A 102 13.669 7.005 1.714 1.00 0.06 H new ATOM 1582 N ARG A 103 15.922 4.733 -2.656 1.00 -0.73 N ATOM 1583 CA ARG A 103 15.885 4.021 -3.931 1.00 0.36 C ATOM 1584 C ARG A 103 14.737 3.020 -3.917 1.00 0.57 C ATOM 1585 O ARG A 103 14.498 2.336 -2.919 1.00 -0.57 O ATOM 1586 CB ARG A 103 17.217 3.308 -4.217 1.00 0.00 C ATOM 1587 CG ARG A 103 18.140 4.197 -5.057 1.00 0.00 C ATOM 1588 CD ARG A 103 19.497 3.523 -5.299 1.00 0.33 C ATOM 1589 NE ARG A 103 20.550 4.519 -5.574 1.00 -0.84 N ATOM 1590 CZ ARG A 103 21.151 5.292 -4.655 1.00 1.20 C ATOM 1591 NH1 ARG A 103 20.824 5.195 -3.366 1.00 -0.97 N ATOM 1592 NH2 ARG A 103 22.079 6.177 -5.013 1.00 -0.97 N ATOM 0 H ARG A 103 16.750 4.547 -2.090 1.00 -0.73 H new ATOM 0 HA ARG A 103 15.727 4.747 -4.729 1.00 0.36 H new ATOM 0 HB2 ARG A 103 17.707 3.052 -3.277 1.00 0.00 H new ATOM 0 HB3 ARG A 103 17.028 2.372 -4.743 1.00 0.00 H new ATOM 0 HG2 ARG A 103 17.665 4.416 -6.013 1.00 0.00 H new ATOM 0 HG3 ARG A 103 18.290 5.150 -4.550 1.00 0.00 H new ATOM 0 HD2 ARG A 103 19.772 2.932 -4.426 1.00 0.33 H new ATOM 0 HD3 ARG A 103 19.418 2.833 -6.139 1.00 0.33 H new ATOM 0 HE ARG A 103 20.846 4.630 -6.544 1.00 -0.84 H new ATOM 0 HH11 ARG A 103 20.111 4.529 -3.069 1.00 -0.97 H new ATOM 0 HH12 ARG A 103 21.287 5.787 -2.676 1.00 -0.97 H new ATOM 0 HH21 ARG A 103 22.340 6.273 -5.994 1.00 -0.97 H new ATOM 0 HH22 ARG A 103 22.529 6.759 -4.306 1.00 -0.97 H new ATOM 1606 N TRP A 104 14.098 2.871 -5.075 1.00 -0.73 N ATOM 1607 CA TRP A 104 12.991 1.958 -5.280 1.00 0.36 C ATOM 1608 C TRP A 104 13.336 1.076 -6.473 1.00 0.57 C ATOM 1609 O TRP A 104 13.827 1.584 -7.479 1.00 -0.57 O ATOM 1610 CB TRP A 104 11.717 2.764 -5.551 1.00 0.18 C ATOM 1611 CG TRP A 104 11.271 3.676 -4.446 1.00 -0.18 C ATOM 1612 CD1 TRP A 104 11.468 5.015 -4.389 1.00 -0.30 C ATOM 1613 CD2 TRP A 104 10.651 3.322 -3.170 1.00 0.00 C ATOM 1614 NE1 TRP A 104 11.029 5.505 -3.176 1.00 0.03 N ATOM 1615 CE2 TRP A 104 10.502 4.509 -2.391 1.00 -0.15 C ATOM 1616 CE3 TRP A 104 10.263 2.109 -2.560 1.00 -0.15 C ATOM 1617 CZ2 TRP A 104 9.979 4.502 -1.092 1.00 -0.15 C ATOM 1618 CZ3 TRP A 104 9.737 2.093 -1.252 1.00 -0.15 C ATOM 1619 CH2 TRP A 104 9.579 3.285 -0.526 1.00 -0.15 C ATOM 0 H TRP A 104 14.346 3.397 -5.913 1.00 -0.73 H new ATOM 0 HA TRP A 104 12.821 1.338 -4.400 1.00 0.36 H new ATOM 0 HB2 TRP A 104 11.873 3.362 -6.449 1.00 0.18 H new ATOM 0 HB3 TRP A 104 10.908 2.066 -5.769 1.00 0.18 H new ATOM 0 HD1 TRP A 104 11.904 5.611 -5.177 1.00 -0.30 H new ATOM 0 HE1 TRP A 104 11.088 6.484 -2.897 1.00 0.03 H new ATOM 0 HE3 TRP A 104 10.371 1.181 -3.103 1.00 -0.15 H new ATOM 0 HZ2 TRP A 104 9.885 5.422 -0.534 1.00 -0.15 H new ATOM 0 HZ3 TRP A 104 9.452 1.153 -0.803 1.00 -0.15 H new ATOM 0 HH2 TRP A 104 9.151 3.263 0.465 1.00 -0.15 H new ATOM 1630 N THR A 105 13.058 -0.228 -6.370 1.00 -0.73 N ATOM 1631 CA THR A 105 13.355 -1.201 -7.421 1.00 0.36 C ATOM 1632 C THR A 105 12.040 -1.738 -7.983 1.00 0.57 C ATOM 1633 O THR A 105 11.078 -1.909 -7.232 1.00 -0.57 O ATOM 1634 CB THR A 105 14.266 -2.297 -6.839 1.00 0.28 C ATOM 1635 OG1 THR A 105 14.961 -2.999 -7.832 1.00 -0.68 O ATOM 1636 CG2 THR A 105 13.552 -3.331 -5.960 1.00 0.00 C ATOM 0 H THR A 105 12.617 -0.639 -5.547 1.00 -0.73 H new ATOM 0 HA THR A 105 13.894 -0.747 -8.252 1.00 0.36 H new ATOM 0 HB THR A 105 14.953 -1.730 -6.210 1.00 0.28 H new ATOM 0 HG1 THR A 105 15.265 -3.859 -7.473 1.00 -0.68 H new ATOM 0 HG21 THR A 105 14.275 -4.061 -5.597 1.00 0.00 H new ATOM 0 HG22 THR A 105 13.087 -2.828 -5.112 1.00 0.00 H new ATOM 0 HG23 THR A 105 12.786 -3.839 -6.546 1.00 0.00 H new ATOM 1644 N ASP A 106 11.994 -2.074 -9.275 1.00 -0.73 N ATOM 1645 CA ASP A 106 10.829 -2.608 -9.990 1.00 0.36 C ATOM 1646 C ASP A 106 10.536 -4.083 -9.647 1.00 0.57 C ATOM 1647 O ASP A 106 9.852 -4.779 -10.397 1.00 -0.57 O ATOM 1648 CB ASP A 106 10.980 -2.366 -11.511 1.00 0.06 C ATOM 1649 CG ASP A 106 12.277 -2.869 -12.165 1.00 0.66 C ATOM 1650 OD1 ASP A 106 13.321 -2.715 -11.553 1.00 -0.57 O ATOM 1651 OD2 ASP A 106 12.183 -3.327 -13.410 1.00 -0.65 O ATOM 0 H ASP A 106 12.808 -1.977 -9.882 1.00 -0.73 H new ATOM 0 HA ASP A 106 9.950 -2.062 -9.648 1.00 0.36 H new ATOM 0 HB2 ASP A 106 10.138 -2.840 -12.016 1.00 0.06 H new ATOM 0 HB3 ASP A 106 10.900 -1.295 -11.695 1.00 0.06 H new ATOM 1657 N GLY A 107 11.033 -4.539 -8.493 1.00 -0.73 N ATOM 1658 CA GLY A 107 11.055 -5.921 -8.051 1.00 0.36 C ATOM 1659 C GLY A 107 12.171 -6.684 -8.772 1.00 0.57 C ATOM 1660 O GLY A 107 12.200 -6.734 -9.998 1.00 -0.57 O ATOM 0 H GLY A 107 11.453 -3.910 -7.809 1.00 -0.73 H new ATOM 0 HA2 GLY A 107 11.211 -5.964 -6.973 1.00 0.36 H new ATOM 0 HA3 GLY A 107 10.093 -6.391 -8.253 1.00 0.36 H new ATOM 1664 N SER A 108 13.068 -7.315 -7.999 1.00 -0.73 N ATOM 1665 CA SER A 108 14.159 -8.177 -8.471 1.00 0.36 C ATOM 1666 C SER A 108 15.332 -7.382 -9.093 1.00 0.57 C ATOM 1667 O SER A 108 15.676 -7.587 -10.254 1.00 -0.57 O ATOM 1668 CB SER A 108 13.589 -9.293 -9.370 1.00 0.28 C ATOM 1669 OG SER A 108 14.443 -10.420 -9.464 1.00 -0.68 O ATOM 0 H SER A 108 13.051 -7.234 -6.982 1.00 -0.73 H new ATOM 0 HA SER A 108 14.618 -8.666 -7.612 1.00 0.36 H new ATOM 0 HB2 SER A 108 12.622 -9.609 -8.978 1.00 0.28 H new ATOM 0 HB3 SER A 108 13.413 -8.893 -10.369 1.00 0.28 H new ATOM 0 HG SER A 108 14.032 -11.095 -10.044 1.00 -0.68 H new ATOM 1675 N SER A 109 15.944 -6.467 -8.316 1.00 -0.73 N ATOM 1676 CA SER A 109 17.095 -5.649 -8.744 1.00 0.36 C ATOM 1677 C SER A 109 17.778 -4.913 -7.556 1.00 0.57 C ATOM 1678 O SER A 109 18.129 -3.740 -7.677 1.00 -0.57 O ATOM 1679 CB SER A 109 16.654 -4.683 -9.879 1.00 0.28 C ATOM 1680 OG SER A 109 17.122 -5.109 -11.148 1.00 -0.68 O ATOM 0 H SER A 109 15.648 -6.273 -7.359 1.00 -0.73 H new ATOM 0 HA SER A 109 17.863 -6.313 -9.142 1.00 0.36 H new ATOM 0 HB2 SER A 109 15.566 -4.617 -9.897 1.00 0.28 H new ATOM 0 HB3 SER A 109 17.031 -3.682 -9.670 1.00 0.28 H new ATOM 0 HG SER A 109 16.835 -6.032 -11.310 1.00 -0.68 H new ATOM 1686 N LEU A 110 17.947 -5.570 -6.391 1.00 -0.73 N ATOM 1687 CA LEU A 110 18.391 -4.951 -5.116 1.00 0.36 C ATOM 1688 C LEU A 110 17.485 -3.773 -4.704 1.00 0.57 C ATOM 1689 O LEU A 110 16.506 -3.487 -5.382 1.00 -0.57 O ATOM 1690 CB LEU A 110 19.882 -4.522 -5.155 1.00 0.00 C ATOM 1691 CG LEU A 110 20.907 -5.672 -5.090 1.00 0.00 C ATOM 1692 CD1 LEU A 110 21.189 -6.275 -6.473 1.00 0.00 C ATOM 1693 CD2 LEU A 110 22.221 -5.148 -4.488 1.00 0.00 C ATOM 0 H LEU A 110 17.775 -6.572 -6.304 1.00 -0.73 H new ATOM 0 HA LEU A 110 18.299 -5.723 -4.352 1.00 0.36 H new ATOM 0 HB2 LEU A 110 20.055 -3.956 -6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 110 20.069 -3.845 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 110 20.484 -6.458 -4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 110 21.917 -7.081 -6.377 1.00 0.00 H new ATOM 0 HD12 LEU A 110 20.264 -6.669 -6.893 1.00 0.00 H new ATOM 0 HD13 LEU A 110 21.587 -5.503 -7.132 1.00 0.00 H new ATOM 0 HD21 LEU A 110 22.948 -5.959 -4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 110 22.613 -4.345 -5.113 1.00 0.00 H new ATOM 0 HD23 LEU A 110 22.035 -4.768 -3.483 1.00 0.00 H new ATOM 1705 N GLY A 111 17.778 -3.087 -3.590 1.00 -0.73 N ATOM 1706 CA GLY A 111 16.969 -1.960 -3.130 1.00 0.36 C ATOM 1707 C GLY A 111 15.620 -2.423 -2.573 1.00 0.57 C ATOM 1708 O GLY A 111 15.409 -3.613 -2.320 1.00 -0.57 O ATOM 0 H GLY A 111 18.576 -3.299 -2.991 1.00 -0.73 H new ATOM 0 HA2 GLY A 111 17.512 -1.412 -2.360 1.00 0.36 H new ATOM 0 HA3 GLY A 111 16.804 -1.269 -3.957 1.00 0.36 H new ATOM 1712 N ILE A 112 14.707 -1.474 -2.348 1.00 -0.73 N ATOM 1713 CA ILE A 112 13.419 -1.756 -1.726 1.00 0.36 C ATOM 1714 C ILE A 112 12.388 -2.000 -2.819 1.00 0.57 C ATOM 1715 O ILE A 112 12.179 -1.142 -3.683 1.00 -0.57 O ATOM 1716 CB ILE A 112 13.042 -0.631 -0.748 1.00 0.00 C ATOM 1717 CG1 ILE A 112 14.059 -0.648 0.421 1.00 0.00 C ATOM 1718 CG2 ILE A 112 11.606 -0.815 -0.224 1.00 0.00 C ATOM 1719 CD1 ILE A 112 15.088 0.486 0.325 1.00 0.00 C ATOM 0 H ILE A 112 14.843 -0.493 -2.592 1.00 -0.73 H new ATOM 0 HA ILE A 112 13.465 -2.663 -1.123 1.00 0.36 H new ATOM 0 HB ILE A 112 13.077 0.331 -1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 112 13.522 -0.567 1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 112 14.579 -1.606 0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.364 -0.006 0.466 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.908 -0.799 -1.061 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.528 -1.770 0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 112 15.775 0.426 1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 112 15.647 0.392 -0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 112 14.573 1.447 0.344 1.00 0.00 H new ATOM 1731 N ASN A 113 11.787 -3.199 -2.781 1.00 -0.73 N ATOM 1732 CA ASN A 113 10.801 -3.667 -3.745 1.00 0.36 C ATOM 1733 C ASN A 113 9.636 -2.681 -3.791 1.00 0.57 C ATOM 1734 O ASN A 113 8.827 -2.640 -2.863 1.00 -0.57 O ATOM 1735 CB ASN A 113 10.355 -5.105 -3.409 1.00 0.06 C ATOM 1736 CG ASN A 113 9.446 -5.704 -4.484 1.00 0.57 C ATOM 1737 OD1 ASN A 113 8.956 -5.006 -5.365 1.00 -0.57 O ATOM 1738 ND2 ASN A 113 9.191 -7.004 -4.447 1.00 -0.80 N ATOM 0 H ASN A 113 11.986 -3.885 -2.053 1.00 -0.73 H new ATOM 0 HA ASN A 113 11.241 -3.708 -4.742 1.00 0.36 H new ATOM 0 HB2 ASN A 113 11.236 -5.736 -3.290 1.00 0.06 H new ATOM 0 HB3 ASN A 113 9.831 -5.105 -2.453 1.00 0.06 H new ATOM 0 HD21 ASN A 113 8.586 -7.425 -5.152 1.00 -0.80 H new ATOM 0 HD22 ASN A 113 9.599 -7.583 -3.713 1.00 -0.80 H new ATOM 1745 N PHE A 114 9.551 -1.898 -4.875 1.00 -0.73 N ATOM 1746 CA PHE A 114 8.482 -0.934 -5.087 1.00 0.36 C ATOM 1747 C PHE A 114 7.136 -1.638 -5.060 1.00 0.57 C ATOM 1748 O PHE A 114 6.174 -1.078 -4.540 1.00 -0.57 O ATOM 1749 CB PHE A 114 8.651 -0.229 -6.443 1.00 0.14 C ATOM 1750 CG PHE A 114 7.615 0.849 -6.716 1.00 -0.14 C ATOM 1751 CD1 PHE A 114 6.299 0.509 -7.095 1.00 -0.15 C ATOM 1752 CD2 PHE A 114 7.952 2.205 -6.552 1.00 -0.15 C ATOM 1753 CE1 PHE A 114 5.316 1.506 -7.216 1.00 -0.15 C ATOM 1754 CE2 PHE A 114 6.984 3.205 -6.717 1.00 -0.15 C ATOM 1755 CZ PHE A 114 5.657 2.853 -7.008 1.00 -0.15 C ATOM 0 H PHE A 114 10.233 -1.922 -5.633 1.00 -0.73 H new ATOM 0 HA PHE A 114 8.528 -0.193 -4.289 1.00 0.36 H new ATOM 0 HB2 PHE A 114 9.644 0.218 -6.487 1.00 0.14 H new ATOM 0 HB3 PHE A 114 8.601 -0.975 -7.237 1.00 0.14 H new ATOM 0 HD1 PHE A 114 6.046 -0.522 -7.293 1.00 -0.15 H new ATOM 0 HD2 PHE A 114 8.965 2.478 -6.297 1.00 -0.15 H new ATOM 0 HE1 PHE A 114 4.301 1.237 -7.468 1.00 -0.15 H new ATOM 0 HE2 PHE A 114 7.259 4.245 -6.620 1.00 -0.15 H new ATOM 0 HZ PHE A 114 4.897 3.618 -7.072 1.00 -0.15 H new ATOM 1765 N LEU A 115 7.054 -2.852 -5.624 1.00 -0.73 N ATOM 1766 CA LEU A 115 5.799 -3.576 -5.675 1.00 0.36 C ATOM 1767 C LEU A 115 5.375 -3.861 -4.245 1.00 0.57 C ATOM 1768 O LEU A 115 4.278 -3.481 -3.865 1.00 -0.57 O ATOM 1769 CB LEU A 115 5.937 -4.867 -6.500 1.00 0.00 C ATOM 1770 CG LEU A 115 4.583 -5.404 -7.005 1.00 0.00 C ATOM 1771 CD1 LEU A 115 3.987 -4.484 -8.076 1.00 0.00 C ATOM 1772 CD2 LEU A 115 4.772 -6.796 -7.619 1.00 0.00 C ATOM 0 H LEU A 115 7.843 -3.341 -6.046 1.00 -0.73 H new ATOM 0 HA LEU A 115 5.035 -2.980 -6.173 1.00 0.36 H new ATOM 0 HB2 LEU A 115 6.589 -4.679 -7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.421 -5.631 -5.892 1.00 0.00 H new ATOM 0 HG LEU A 115 3.906 -5.449 -6.152 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.033 -4.888 -8.413 1.00 0.00 H new ATOM 0 HD12 LEU A 115 3.832 -3.490 -7.657 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.672 -4.418 -8.921 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.812 -7.170 -7.974 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.469 -6.733 -8.455 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.170 -7.475 -6.865 1.00 0.00 H new ATOM 1784 N TYR A 116 6.267 -4.435 -3.434 1.00 -0.73 N ATOM 1785 CA TYR A 116 6.014 -4.672 -2.016 1.00 0.36 C ATOM 1786 C TYR A 116 5.618 -3.379 -1.306 1.00 0.57 C ATOM 1787 O TYR A 116 4.674 -3.398 -0.525 1.00 -0.57 O ATOM 1788 CB TYR A 116 7.254 -5.296 -1.372 1.00 0.14 C ATOM 1789 CG TYR A 116 7.010 -6.092 -0.107 1.00 -0.14 C ATOM 1790 CD1 TYR A 116 6.800 -5.462 1.134 1.00 -0.15 C ATOM 1791 CD2 TYR A 116 7.086 -7.491 -0.171 1.00 -0.15 C ATOM 1792 CE1 TYR A 116 6.767 -6.230 2.311 1.00 -0.15 C ATOM 1793 CE2 TYR A 116 7.018 -8.271 0.992 1.00 -0.15 C ATOM 1794 CZ TYR A 116 6.902 -7.633 2.243 1.00 0.08 C ATOM 1795 OH TYR A 116 6.940 -8.370 3.380 1.00 -0.53 O ATOM 0 H TYR A 116 7.186 -4.748 -3.746 1.00 -0.73 H new ATOM 0 HA TYR A 116 5.179 -5.365 -1.917 1.00 0.36 H new ATOM 0 HB2 TYR A 116 7.730 -5.949 -2.103 1.00 0.14 H new ATOM 0 HB3 TYR A 116 7.963 -4.499 -1.146 1.00 0.14 H new ATOM 0 HD1 TYR A 116 6.665 -4.392 1.182 1.00 -0.15 H new ATOM 0 HD2 TYR A 116 7.199 -7.974 -1.130 1.00 -0.15 H new ATOM 0 HE1 TYR A 116 6.638 -5.746 3.268 1.00 -0.15 H new ATOM 0 HE2 TYR A 116 7.054 -9.349 0.930 1.00 -0.15 H new ATOM 0 HH TYR A 116 6.156 -8.163 3.931 1.00 -0.53 H new ATOM 1805 N ALA A 117 6.297 -2.264 -1.602 1.00 -0.73 N ATOM 1806 CA ALA A 117 6.007 -0.971 -1.004 1.00 0.36 C ATOM 1807 C ALA A 117 4.583 -0.550 -1.325 1.00 0.57 C ATOM 1808 O ALA A 117 3.773 -0.387 -0.419 1.00 -0.57 O ATOM 1809 CB ALA A 117 7.007 0.082 -1.498 1.00 0.00 C ATOM 0 H ALA A 117 7.068 -2.242 -2.270 1.00 -0.73 H new ATOM 0 HA ALA A 117 6.105 -1.056 0.078 1.00 0.36 H new ATOM 0 HB1 ALA A 117 6.777 1.045 -1.042 1.00 0.00 H new ATOM 0 HB2 ALA A 117 8.018 -0.218 -1.222 1.00 0.00 H new ATOM 0 HB3 ALA A 117 6.938 0.169 -2.582 1.00 0.00 H new ATOM 1815 N ALA A 118 4.259 -0.424 -2.613 1.00 -0.73 N ATOM 1816 CA ALA A 118 2.943 -0.005 -3.036 1.00 0.36 C ATOM 1817 C ALA A 118 1.898 -0.981 -2.494 1.00 0.57 C ATOM 1818 O ALA A 118 0.974 -0.533 -1.832 1.00 -0.57 O ATOM 1819 CB ALA A 118 2.907 0.139 -4.559 1.00 0.00 C ATOM 0 H ALA A 118 4.905 -0.611 -3.380 1.00 -0.73 H new ATOM 0 HA ALA A 118 2.703 0.976 -2.627 1.00 0.36 H new ATOM 0 HB1 ALA A 118 1.912 0.455 -4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.639 0.884 -4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.145 -0.819 -5.021 1.00 0.00 H new ATOM 1825 N THR A 119 2.067 -2.296 -2.674 1.00 -0.73 N ATOM 1826 CA THR A 119 1.139 -3.318 -2.184 1.00 0.36 C ATOM 1827 C THR A 119 0.946 -3.224 -0.660 1.00 0.57 C ATOM 1828 O THR A 119 -0.175 -3.429 -0.189 1.00 -0.57 O ATOM 1829 CB THR A 119 1.649 -4.712 -2.608 1.00 0.28 C ATOM 1830 OG1 THR A 119 1.880 -4.751 -3.995 1.00 -0.68 O ATOM 1831 CG2 THR A 119 0.658 -5.851 -2.387 1.00 0.00 C ATOM 0 H THR A 119 2.867 -2.685 -3.173 1.00 -0.73 H new ATOM 0 HA THR A 119 0.159 -3.149 -2.630 1.00 0.36 H new ATOM 0 HB THR A 119 2.537 -4.852 -1.991 1.00 0.28 H new ATOM 0 HG1 THR A 119 2.766 -4.381 -4.190 1.00 -0.68 H new ATOM 0 HG21 THR A 119 1.104 -6.790 -2.714 1.00 0.00 H new ATOM 0 HG22 THR A 119 0.410 -5.917 -1.328 1.00 0.00 H new ATOM 0 HG23 THR A 119 -0.249 -5.661 -2.961 1.00 0.00 H new ATOM 1839 N HIS A 120 1.997 -2.892 0.102 1.00 -0.73 N ATOM 1840 CA HIS A 120 1.929 -2.647 1.541 1.00 0.36 C ATOM 1841 C HIS A 120 1.086 -1.398 1.826 1.00 0.57 C ATOM 1842 O HIS A 120 0.130 -1.468 2.596 1.00 -0.57 O ATOM 1843 CB HIS A 120 3.368 -2.584 2.112 1.00 0.17 C ATOM 1844 CG HIS A 120 3.518 -2.372 3.601 1.00 0.18 C ATOM 1845 ND1 HIS A 120 4.373 -3.061 4.450 1.00 -0.70 N ATOM 1846 CD2 HIS A 120 2.843 -1.465 4.368 1.00 0.20 C ATOM 1847 CE1 HIS A 120 4.176 -2.603 5.702 1.00 0.65 C ATOM 1848 NE2 HIS A 120 3.245 -1.634 5.669 1.00 -0.70 N ATOM 0 H HIS A 120 2.938 -2.785 -0.278 1.00 -0.73 H new ATOM 0 HA HIS A 120 1.423 -3.465 2.053 1.00 0.36 H new ATOM 0 HB2 HIS A 120 3.874 -3.513 1.852 1.00 0.17 H new ATOM 0 HB3 HIS A 120 3.897 -1.779 1.602 1.00 0.17 H new ATOM 0 HD1 HIS A 120 5.035 -3.787 4.175 1.00 -0.70 H new ATOM 0 HD2 HIS A 120 2.122 -0.744 4.014 1.00 0.20 H new ATOM 0 HE1 HIS A 120 4.683 -2.957 6.587 1.00 0.65 H new ATOM 1857 N GLU A 121 1.426 -0.251 1.236 1.00 -0.73 N ATOM 1858 CA GLU A 121 0.744 1.013 1.530 1.00 0.36 C ATOM 1859 C GLU A 121 -0.720 0.967 1.053 1.00 0.57 C ATOM 1860 O GLU A 121 -1.631 1.398 1.760 1.00 -0.57 O ATOM 1861 CB GLU A 121 1.506 2.172 0.865 1.00 0.00 C ATOM 1862 CG GLU A 121 2.984 2.321 1.293 1.00 0.06 C ATOM 1863 CD GLU A 121 3.224 2.703 2.751 1.00 0.66 C ATOM 1864 OE1 GLU A 121 4.078 2.073 3.353 1.00 -0.57 O ATOM 1865 OE2 GLU A 121 2.502 3.684 3.284 1.00 -0.65 O ATOM 0 H GLU A 121 2.174 -0.170 0.547 1.00 -0.73 H new ATOM 0 HA GLU A 121 0.732 1.172 2.608 1.00 0.36 H new ATOM 0 HB2 GLU A 121 1.470 2.036 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 121 0.985 3.103 1.087 1.00 0.00 H new ATOM 0 HG2 GLU A 121 3.495 1.379 1.096 1.00 0.06 H new ATOM 0 HG3 GLU A 121 3.451 3.075 0.659 1.00 0.06 H new ATOM 1873 N LEU A 122 -0.961 0.385 -0.128 1.00 -0.73 N ATOM 1874 CA LEU A 122 -2.282 0.197 -0.728 1.00 0.36 C ATOM 1875 C LEU A 122 -3.166 -0.709 0.126 1.00 0.57 C ATOM 1876 O LEU A 122 -4.376 -0.503 0.179 1.00 -0.57 O ATOM 1877 CB LEU A 122 -2.134 -0.422 -2.127 1.00 0.00 C ATOM 1878 CG LEU A 122 -1.572 0.539 -3.196 1.00 0.00 C ATOM 1879 CD1 LEU A 122 -1.125 -0.284 -4.411 1.00 0.00 C ATOM 1880 CD2 LEU A 122 -2.607 1.596 -3.605 1.00 0.00 C ATOM 0 H LEU A 122 -0.210 0.019 -0.713 1.00 -0.73 H new ATOM 0 HA LEU A 122 -2.756 1.176 -0.795 1.00 0.36 H new ATOM 0 HB2 LEU A 122 -1.480 -1.291 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -3.109 -0.782 -2.456 1.00 0.00 H new ATOM 0 HG LEU A 122 -0.720 1.076 -2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -0.725 0.383 -5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -0.353 -0.992 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -1.978 -0.829 -4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.176 2.255 -4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -3.488 1.103 -4.015 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -2.893 2.182 -2.732 1.00 0.00 H new ATOM 1892 N GLY A 123 -2.588 -1.686 0.831 1.00 -0.73 N ATOM 1893 CA GLY A 123 -3.345 -2.469 1.790 1.00 0.36 C ATOM 1894 C GLY A 123 -3.982 -1.584 2.853 1.00 0.57 C ATOM 1895 O GLY A 123 -5.167 -1.720 3.159 1.00 -0.57 O ATOM 0 H GLY A 123 -1.605 -1.946 0.751 1.00 -0.73 H new ATOM 0 HA2 GLY A 123 -4.121 -3.032 1.271 1.00 0.36 H new ATOM 0 HA3 GLY A 123 -2.688 -3.197 2.267 1.00 0.36 H new ATOM 1899 N HIS A 124 -3.223 -0.611 3.358 1.00 -0.73 N ATOM 1900 CA HIS A 124 -3.756 0.345 4.309 1.00 0.36 C ATOM 1901 C HIS A 124 -4.763 1.287 3.664 1.00 0.57 C ATOM 1902 O HIS A 124 -5.767 1.582 4.315 1.00 -0.57 O ATOM 1903 CB HIS A 124 -2.628 1.130 4.965 1.00 0.17 C ATOM 1904 CG HIS A 124 -1.653 0.246 5.701 1.00 0.18 C ATOM 1905 ND1 HIS A 124 -1.935 -0.880 6.447 1.00 -0.70 N ATOM 1906 CD2 HIS A 124 -0.297 0.376 5.663 1.00 0.20 C ATOM 1907 CE1 HIS A 124 -0.767 -1.401 6.855 1.00 0.65 C ATOM 1908 NE2 HIS A 124 0.263 -0.664 6.412 1.00 -0.70 N ATOM 0 H HIS A 124 -2.241 -0.470 3.121 1.00 -0.73 H new ATOM 0 HA HIS A 124 -4.285 -0.218 5.078 1.00 0.36 H new ATOM 0 HB2 HIS A 124 -2.094 1.696 4.202 1.00 0.17 H new ATOM 0 HB3 HIS A 124 -3.052 1.854 5.661 1.00 0.17 H new ATOM 0 HD2 HIS A 124 0.251 1.149 5.144 1.00 0.20 H new ATOM 0 HE1 HIS A 124 -0.670 -2.292 7.458 1.00 0.65 H new ATOM 0 HE2 HIS A 124 1.254 -0.829 6.586 1.00 -0.70 H new ATOM 1917 N SER A 125 -4.532 1.697 2.407 1.00 -0.73 N ATOM 1918 CA SER A 125 -5.474 2.518 1.648 1.00 0.36 C ATOM 1919 C SER A 125 -6.829 1.818 1.502 1.00 0.57 C ATOM 1920 O SER A 125 -7.869 2.477 1.501 1.00 -0.57 O ATOM 1921 CB SER A 125 -4.878 2.938 0.289 1.00 0.28 C ATOM 1922 OG SER A 125 -5.254 2.104 -0.790 1.00 -0.68 O ATOM 0 H SER A 125 -3.683 1.465 1.892 1.00 -0.73 H new ATOM 0 HA SER A 125 -5.654 3.435 2.210 1.00 0.36 H new ATOM 0 HB2 SER A 125 -5.187 3.960 0.069 1.00 0.28 H new ATOM 0 HB3 SER A 125 -3.791 2.944 0.368 1.00 0.28 H new ATOM 0 HG SER A 125 -5.022 1.175 -0.582 1.00 -0.68 H new ATOM 1928 N LEU A 126 -6.827 0.481 1.408 1.00 -0.73 N ATOM 1929 CA LEU A 126 -8.049 -0.308 1.398 1.00 0.36 C ATOM 1930 C LEU A 126 -8.764 -0.279 2.756 1.00 0.57 C ATOM 1931 O LEU A 126 -9.994 -0.302 2.773 1.00 -0.57 O ATOM 1932 CB LEU A 126 -7.762 -1.756 0.938 1.00 0.00 C ATOM 1933 CG LEU A 126 -8.119 -2.072 -0.528 1.00 0.00 C ATOM 1934 CD1 LEU A 126 -9.569 -1.710 -0.867 1.00 0.00 C ATOM 1935 CD2 LEU A 126 -7.186 -1.404 -1.544 1.00 0.00 C ATOM 0 H LEU A 126 -5.975 -0.076 1.337 1.00 -0.73 H new ATOM 0 HA LEU A 126 -8.728 0.147 0.677 1.00 0.36 H new ATOM 0 HB2 LEU A 126 -6.702 -1.962 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.314 -2.439 1.583 1.00 0.00 H new ATOM 0 HG LEU A 126 -7.989 -3.151 -0.610 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.770 -1.952 -1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -10.245 -2.277 -0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -9.725 -0.643 -0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -7.497 -1.671 -2.554 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -7.232 -0.322 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.164 -1.744 -1.378 1.00 0.00 H new ATOM 1947 N GLY A 127 -8.042 -0.218 3.883 1.00 -0.73 N ATOM 1948 CA GLY A 127 -8.666 -0.182 5.206 1.00 0.36 C ATOM 1949 C GLY A 127 -7.819 -0.771 6.313 1.00 0.57 C ATOM 1950 O GLY A 127 -8.302 -1.641 7.036 1.00 -0.57 O ATOM 0 H GLY A 127 -7.022 -0.193 3.901 1.00 -0.73 H new ATOM 0 HA2 GLY A 127 -8.900 0.853 5.456 1.00 0.36 H new ATOM 0 HA3 GLY A 127 -9.612 -0.721 5.163 1.00 0.36 H new ATOM 1954 N MET A 128 -6.577 -0.296 6.455 1.00 -0.73 N ATOM 1955 CA MET A 128 -5.602 -0.873 7.383 1.00 0.36 C ATOM 1956 C MET A 128 -5.351 -2.364 7.082 1.00 0.57 C ATOM 1957 O MET A 128 -5.829 -2.908 6.088 1.00 -0.57 O ATOM 1958 CB MET A 128 -6.016 -0.598 8.848 1.00 0.00 C ATOM 1959 CG MET A 128 -6.044 0.892 9.210 1.00 0.23 C ATOM 1960 SD MET A 128 -4.468 1.561 9.803 1.00 -0.46 S ATOM 1961 CE MET A 128 -3.643 2.104 8.295 1.00 0.23 C ATOM 0 H MET A 128 -6.220 0.501 5.928 1.00 -0.73 H new ATOM 0 HA MET A 128 -4.641 -0.380 7.236 1.00 0.36 H new ATOM 0 HB2 MET A 128 -7.004 -1.024 9.024 1.00 0.00 H new ATOM 0 HB3 MET A 128 -5.324 -1.112 9.515 1.00 0.00 H new ATOM 0 HG2 MET A 128 -6.356 1.459 8.333 1.00 0.23 H new ATOM 0 HG3 MET A 128 -6.802 1.051 9.978 1.00 0.23 H new ATOM 0 HE1 MET A 128 -3.151 3.060 8.473 1.00 0.23 H new ATOM 0 HE2 MET A 128 -2.900 1.363 8.000 1.00 0.23 H new ATOM 0 HE3 MET A 128 -4.378 2.217 7.499 1.00 0.23 H new ATOM 1971 N GLY A 129 -4.521 -3.011 7.904 1.00 -0.73 N ATOM 1972 CA GLY A 129 -4.089 -4.385 7.686 1.00 0.36 C ATOM 1973 C GLY A 129 -2.624 -4.523 8.065 1.00 0.57 C ATOM 1974 O GLY A 129 -1.804 -4.819 7.204 1.00 -0.57 O ATOM 0 H GLY A 129 -4.129 -2.588 8.745 1.00 -0.73 H new ATOM 0 HA2 GLY A 129 -4.695 -5.067 8.282 1.00 0.36 H new ATOM 0 HA3 GLY A 129 -4.233 -4.661 6.641 1.00 0.36 H new ATOM 1978 N HIS A 130 -2.284 -4.199 9.318 1.00 -0.73 N ATOM 1979 CA HIS A 130 -0.946 -4.418 9.851 1.00 0.36 C ATOM 1980 C HIS A 130 -0.875 -5.763 10.587 1.00 0.57 C ATOM 1981 O HIS A 130 -1.895 -6.384 10.917 1.00 -0.57 O ATOM 1982 CB HIS A 130 -0.555 -3.245 10.780 1.00 0.17 C ATOM 1983 CG HIS A 130 0.419 -2.252 10.192 1.00 0.18 C ATOM 1984 ND1 HIS A 130 0.511 -0.916 10.519 1.00 -0.70 N ATOM 1985 CD2 HIS A 130 1.463 -2.527 9.350 1.00 0.20 C ATOM 1986 CE1 HIS A 130 1.588 -0.411 9.890 1.00 0.65 C ATOM 1987 NE2 HIS A 130 2.201 -1.360 9.168 1.00 -0.70 N ATOM 0 H HIS A 130 -2.931 -3.779 9.985 1.00 -0.73 H new ATOM 0 HA HIS A 130 -0.232 -4.455 9.028 1.00 0.36 H new ATOM 0 HB2 HIS A 130 -1.462 -2.713 11.067 1.00 0.17 H new ATOM 0 HB3 HIS A 130 -0.123 -3.655 11.693 1.00 0.17 H new ATOM 0 HD2 HIS A 130 1.678 -3.486 8.903 1.00 0.20 H new ATOM 0 HE1 HIS A 130 1.914 0.617 9.957 1.00 0.65 H new ATOM 0 HE2 HIS A 130 3.040 -1.249 8.599 1.00 -0.70 H new ATOM 1996 N SER A 131 0.363 -6.184 10.883 1.00 -0.73 N ATOM 1997 CA SER A 131 0.678 -7.430 11.563 1.00 0.36 C ATOM 1998 C SER A 131 2.095 -7.357 12.149 1.00 0.57 C ATOM 1999 O SER A 131 2.717 -6.291 12.173 1.00 -0.57 O ATOM 2000 CB SER A 131 0.518 -8.578 10.557 1.00 0.28 C ATOM 2001 OG SER A 131 0.520 -9.840 11.192 1.00 -0.68 O ATOM 0 H SER A 131 1.194 -5.642 10.644 1.00 -0.73 H new ATOM 0 HA SER A 131 -0.000 -7.606 12.398 1.00 0.36 H new ATOM 0 HB2 SER A 131 -0.414 -8.450 10.006 1.00 0.28 H new ATOM 0 HB3 SER A 131 1.327 -8.537 9.828 1.00 0.28 H new ATOM 0 HG SER A 131 0.107 -10.504 10.601 1.00 -0.68 H new ATOM 2007 N SER A 132 2.590 -8.502 12.626 1.00 -0.73 N ATOM 2008 CA SER A 132 3.839 -8.669 13.371 1.00 0.36 C ATOM 2009 C SER A 132 4.494 -10.023 13.009 1.00 0.57 C ATOM 2010 O SER A 132 5.158 -10.649 13.836 1.00 -0.57 O ATOM 2011 CB SER A 132 3.514 -8.515 14.876 1.00 0.28 C ATOM 2012 OG SER A 132 4.166 -7.402 15.455 1.00 -0.68 O ATOM 0 H SER A 132 2.101 -9.388 12.495 1.00 -0.73 H new ATOM 0 HA SER A 132 4.574 -7.909 13.107 1.00 0.36 H new ATOM 0 HB2 SER A 132 2.437 -8.409 15.004 1.00 0.28 H new ATOM 0 HB3 SER A 132 3.810 -9.422 15.404 1.00 0.28 H new ATOM 0 HG SER A 132 3.931 -7.343 16.405 1.00 -0.68 H new ATOM 2018 N ASP A 133 4.284 -10.501 11.774 1.00 -0.73 N ATOM 2019 CA ASP A 133 4.714 -11.827 11.304 1.00 0.36 C ATOM 2020 C ASP A 133 6.093 -11.723 10.625 1.00 0.57 C ATOM 2021 O ASP A 133 6.356 -10.711 9.970 1.00 -0.57 O ATOM 2022 CB ASP A 133 3.667 -12.373 10.306 1.00 0.06 C ATOM 2023 CG ASP A 133 3.207 -13.818 10.505 1.00 0.66 C ATOM 2024 OD1 ASP A 133 3.565 -14.423 11.502 1.00 -0.57 O ATOM 2025 OD2 ASP A 133 2.389 -14.305 9.576 1.00 -0.65 O ATOM 0 H ASP A 133 3.798 -9.963 11.056 1.00 -0.73 H new ATOM 0 HA ASP A 133 4.796 -12.508 12.151 1.00 0.36 H new ATOM 0 HB2 ASP A 133 2.789 -11.729 10.350 1.00 0.06 H new ATOM 0 HB3 ASP A 133 4.078 -12.284 9.301 1.00 0.06 H new ATOM 2031 N PRO A 134 6.957 -12.759 10.686 1.00 -0.66 N ATOM 2032 CA PRO A 134 8.341 -12.681 10.211 1.00 0.36 C ATOM 2033 C PRO A 134 8.452 -12.535 8.687 1.00 0.57 C ATOM 2034 O PRO A 134 9.469 -12.045 8.198 1.00 -0.57 O ATOM 2035 CB PRO A 134 9.026 -13.964 10.694 1.00 0.00 C ATOM 2036 CG PRO A 134 7.891 -14.957 10.955 1.00 0.00 C ATOM 2037 CD PRO A 134 6.642 -14.100 11.151 1.00 0.30 C ATOM 0 HA PRO A 134 8.819 -11.786 10.609 1.00 0.36 H new ATOM 0 HB2 PRO A 134 9.718 -14.346 9.944 1.00 0.00 H new ATOM 0 HB3 PRO A 134 9.606 -13.783 11.599 1.00 0.00 H new ATOM 0 HG2 PRO A 134 7.769 -15.644 10.117 1.00 0.00 H new ATOM 0 HG3 PRO A 134 8.094 -15.563 11.838 1.00 0.00 H new ATOM 0 HD2 PRO A 134 5.802 -14.513 10.592 1.00 0.30 H new ATOM 0 HD3 PRO A 134 6.349 -14.083 12.201 1.00 0.30 H new ATOM 2045 N ASN A 135 7.402 -12.931 7.960 1.00 -0.73 N ATOM 2046 CA ASN A 135 7.280 -12.863 6.508 1.00 0.36 C ATOM 2047 C ASN A 135 5.907 -12.254 6.156 1.00 0.57 C ATOM 2048 O ASN A 135 5.322 -12.606 5.129 1.00 -0.57 O ATOM 2049 CB ASN A 135 7.480 -14.265 5.881 1.00 0.06 C ATOM 2050 CG ASN A 135 8.919 -14.795 5.862 1.00 0.57 C ATOM 2051 OD1 ASN A 135 9.892 -14.051 5.806 1.00 -0.57 O ATOM 2052 ND2 ASN A 135 9.081 -16.114 5.867 1.00 -0.80 N ATOM 0 H ASN A 135 6.571 -13.329 8.397 1.00 -0.73 H new ATOM 0 HA ASN A 135 8.058 -12.223 6.092 1.00 0.36 H new ATOM 0 HB2 ASN A 135 6.859 -14.976 6.426 1.00 0.06 H new ATOM 0 HB3 ASN A 135 7.110 -14.239 4.856 1.00 0.06 H new ATOM 0 HD21 ASN A 135 10.019 -16.513 5.824 1.00 -0.80 H new ATOM 0 HD22 ASN A 135 8.268 -16.728 5.914 1.00 -0.80 H new ATOM 2059 N ALA A 136 5.332 -11.385 7.011 1.00 -0.73 N ATOM 2060 CA ALA A 136 4.092 -10.697 6.654 1.00 0.36 C ATOM 2061 C ALA A 136 4.370 -9.737 5.505 1.00 0.57 C ATOM 2062 O ALA A 136 5.300 -8.942 5.574 1.00 -0.57 O ATOM 2063 CB ALA A 136 3.475 -9.911 7.817 1.00 0.00 C ATOM 0 H ALA A 136 5.702 -11.151 7.932 1.00 -0.73 H new ATOM 0 HA ALA A 136 3.374 -11.466 6.370 1.00 0.36 H new ATOM 0 HB1 ALA A 136 2.558 -9.426 7.482 1.00 0.00 H new ATOM 0 HB2 ALA A 136 3.246 -10.593 8.636 1.00 0.00 H new ATOM 0 HB3 ALA A 136 4.181 -9.155 8.160 1.00 0.00 H new ATOM 2069 N VAL A 137 3.515 -9.766 4.491 1.00 -0.73 N ATOM 2070 CA VAL A 137 3.485 -8.815 3.383 1.00 0.36 C ATOM 2071 C VAL A 137 3.351 -7.354 3.857 1.00 0.57 C ATOM 2072 O VAL A 137 3.870 -6.446 3.205 1.00 -0.57 O ATOM 2073 CB VAL A 137 2.348 -9.252 2.447 1.00 0.00 C ATOM 2074 CG1 VAL A 137 1.041 -9.399 3.228 1.00 0.00 C ATOM 2075 CG2 VAL A 137 2.169 -8.318 1.246 1.00 0.00 C ATOM 0 H VAL A 137 2.793 -10.482 4.413 1.00 -0.73 H new ATOM 0 HA VAL A 137 4.433 -8.829 2.846 1.00 0.36 H new ATOM 0 HB VAL A 137 2.629 -10.223 2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 137 0.245 -9.709 2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 137 1.166 -10.149 4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 137 0.779 -8.443 3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 137 1.351 -8.680 0.623 1.00 0.00 H new ATOM 0 HG22 VAL A 137 1.939 -7.312 1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.089 -8.297 0.661 1.00 0.00 H new ATOM 2085 N MET A 138 2.717 -7.116 5.012 1.00 -0.73 N ATOM 2086 CA MET A 138 2.600 -5.806 5.631 1.00 0.36 C ATOM 2087 C MET A 138 3.404 -5.760 6.940 1.00 0.57 C ATOM 2088 O MET A 138 3.095 -4.971 7.828 1.00 -0.57 O ATOM 2089 CB MET A 138 1.108 -5.397 5.732 1.00 0.00 C ATOM 2090 CG MET A 138 0.742 -4.243 4.787 1.00 0.23 C ATOM 2091 SD MET A 138 -0.690 -4.539 3.714 1.00 -0.46 S ATOM 2092 CE MET A 138 0.023 -5.811 2.637 1.00 0.23 C ATOM 0 H MET A 138 2.262 -7.854 5.549 1.00 -0.73 H new ATOM 0 HA MET A 138 3.055 -5.036 5.008 1.00 0.36 H new ATOM 0 HB2 MET A 138 0.483 -6.260 5.503 1.00 0.00 H new ATOM 0 HB3 MET A 138 0.885 -5.105 6.758 1.00 0.00 H new ATOM 0 HG2 MET A 138 0.548 -3.353 5.386 1.00 0.23 H new ATOM 0 HG3 MET A 138 1.605 -4.022 4.159 1.00 0.23 H new ATOM 0 HE1 MET A 138 -0.038 -5.485 1.599 1.00 0.23 H new ATOM 0 HE2 MET A 138 1.067 -5.972 2.906 1.00 0.23 H new ATOM 0 HE3 MET A 138 -0.531 -6.742 2.758 1.00 0.23 H new ATOM 2102 N TYR A 139 4.475 -6.561 7.060 1.00 -0.73 N ATOM 2103 CA TYR A 139 5.419 -6.478 8.178 1.00 0.36 C ATOM 2104 C TYR A 139 5.999 -5.049 8.274 1.00 0.57 C ATOM 2105 O TYR A 139 6.466 -4.525 7.256 1.00 -0.57 O ATOM 2106 CB TYR A 139 6.543 -7.518 7.983 1.00 0.14 C ATOM 2107 CG TYR A 139 7.605 -7.570 9.063 1.00 -0.14 C ATOM 2108 CD1 TYR A 139 7.245 -7.803 10.405 1.00 -0.15 C ATOM 2109 CD2 TYR A 139 8.961 -7.397 8.721 1.00 -0.15 C ATOM 2110 CE1 TYR A 139 8.225 -7.784 11.412 1.00 -0.15 C ATOM 2111 CE2 TYR A 139 9.950 -7.372 9.721 1.00 -0.15 C ATOM 2112 CZ TYR A 139 9.576 -7.540 11.076 1.00 0.08 C ATOM 2113 OH TYR A 139 10.508 -7.478 12.068 1.00 -0.53 O ATOM 0 H TYR A 139 4.708 -7.285 6.381 1.00 -0.73 H new ATOM 0 HA TYR A 139 4.901 -6.697 9.111 1.00 0.36 H new ATOM 0 HB2 TYR A 139 6.086 -8.505 7.905 1.00 0.14 H new ATOM 0 HB3 TYR A 139 7.033 -7.317 7.030 1.00 0.14 H new ATOM 0 HD1 TYR A 139 6.214 -7.997 10.660 1.00 -0.15 H new ATOM 0 HD2 TYR A 139 9.243 -7.283 7.685 1.00 -0.15 H new ATOM 0 HE1 TYR A 139 7.946 -7.956 12.441 1.00 -0.15 H new ATOM 0 HE2 TYR A 139 10.987 -7.226 9.457 1.00 -0.15 H new ATOM 0 HH TYR A 139 11.390 -7.305 11.678 1.00 -0.53 H new ATOM 2123 N PRO A 140 5.978 -4.396 9.455 1.00 -0.66 N ATOM 2124 CA PRO A 140 6.755 -3.185 9.707 1.00 0.36 C ATOM 2125 C PRO A 140 8.253 -3.517 9.817 1.00 0.57 C ATOM 2126 O PRO A 140 8.637 -4.674 9.706 1.00 -0.57 O ATOM 2127 CB PRO A 140 6.175 -2.582 10.991 1.00 0.00 C ATOM 2128 CG PRO A 140 5.545 -3.762 11.731 1.00 0.00 C ATOM 2129 CD PRO A 140 5.260 -4.805 10.653 1.00 0.30 C ATOM 0 HA PRO A 140 6.685 -2.465 8.892 1.00 0.36 H new ATOM 0 HB2 PRO A 140 6.952 -2.109 11.591 1.00 0.00 H new ATOM 0 HB3 PRO A 140 5.434 -1.815 10.767 1.00 0.00 H new ATOM 0 HG2 PRO A 140 6.220 -4.156 12.491 1.00 0.00 H new ATOM 0 HG3 PRO A 140 4.629 -3.463 12.242 1.00 0.00 H new ATOM 0 HD2 PRO A 140 5.586 -5.793 10.978 1.00 0.30 H new ATOM 0 HD3 PRO A 140 4.190 -4.872 10.456 1.00 0.30 H new ATOM 2137 N THR A 141 9.121 -2.518 10.015 1.00 -0.73 N ATOM 2138 CA THR A 141 10.575 -2.670 10.184 1.00 0.36 C ATOM 2139 C THR A 141 11.304 -3.071 8.881 1.00 0.57 C ATOM 2140 O THR A 141 12.345 -2.489 8.605 1.00 -0.57 O ATOM 2141 CB THR A 141 10.920 -3.620 11.364 1.00 0.28 C ATOM 2142 OG1 THR A 141 10.155 -3.332 12.525 1.00 -0.68 O ATOM 2143 CG2 THR A 141 12.402 -3.528 11.745 1.00 0.00 C ATOM 0 H THR A 141 8.821 -1.544 10.064 1.00 -0.73 H new ATOM 0 HA THR A 141 10.954 -1.681 10.439 1.00 0.36 H new ATOM 0 HB THR A 141 10.684 -4.624 11.012 1.00 0.28 H new ATOM 0 HG1 THR A 141 10.402 -3.953 13.242 1.00 -0.68 H new ATOM 0 HG21 THR A 141 12.607 -4.206 12.574 1.00 0.00 H new ATOM 0 HG22 THR A 141 13.016 -3.806 10.888 1.00 0.00 H new ATOM 0 HG23 THR A 141 12.638 -2.507 12.045 1.00 0.00 H new ATOM 2151 N TYR A 142 10.741 -3.984 8.071 1.00 -0.73 N ATOM 2152 CA TYR A 142 11.216 -4.414 6.750 1.00 0.36 C ATOM 2153 C TYR A 142 12.671 -4.925 6.750 1.00 0.57 C ATOM 2154 O TYR A 142 13.618 -4.161 6.574 1.00 -0.57 O ATOM 2155 CB TYR A 142 10.949 -3.295 5.724 1.00 0.14 C ATOM 2156 CG TYR A 142 11.301 -3.632 4.286 1.00 -0.14 C ATOM 2157 CD1 TYR A 142 10.341 -4.205 3.429 1.00 -0.15 C ATOM 2158 CD2 TYR A 142 12.586 -3.329 3.793 1.00 -0.15 C ATOM 2159 CE1 TYR A 142 10.658 -4.453 2.080 1.00 -0.15 C ATOM 2160 CE2 TYR A 142 12.914 -3.585 2.452 1.00 -0.15 C ATOM 2161 CZ TYR A 142 11.941 -4.120 1.582 1.00 0.08 C ATOM 2162 OH TYR A 142 12.246 -4.315 0.265 1.00 -0.53 O ATOM 0 H TYR A 142 9.887 -4.471 8.342 1.00 -0.73 H new ATOM 0 HA TYR A 142 10.645 -5.293 6.451 1.00 0.36 H new ATOM 0 HB2 TYR A 142 9.893 -3.029 5.769 1.00 0.14 H new ATOM 0 HB3 TYR A 142 11.513 -2.411 6.021 1.00 0.14 H new ATOM 0 HD1 TYR A 142 9.361 -4.454 3.807 1.00 -0.15 H new ATOM 0 HD2 TYR A 142 13.324 -2.896 4.452 1.00 -0.15 H new ATOM 0 HE1 TYR A 142 9.923 -4.897 1.425 1.00 -0.15 H new ATOM 0 HE2 TYR A 142 13.908 -3.373 2.088 1.00 -0.15 H new ATOM 0 HH TYR A 142 11.421 -4.461 -0.244 1.00 -0.53 H new ATOM 2172 N GLY A 143 12.861 -6.242 6.925 1.00 -0.73 N ATOM 2173 CA GLY A 143 14.182 -6.868 6.882 1.00 0.36 C ATOM 2174 C GLY A 143 14.225 -8.094 7.790 1.00 0.57 C ATOM 2175 O GLY A 143 14.234 -7.941 9.014 1.00 -0.57 O ATOM 0 H GLY A 143 12.100 -6.899 7.100 1.00 -0.73 H new ATOM 0 HA2 GLY A 143 14.420 -7.158 5.859 1.00 0.36 H new ATOM 0 HA3 GLY A 143 14.941 -6.151 7.194 1.00 0.36 H new ATOM 2179 N ASN A 144 14.210 -9.299 7.195 1.00 -0.73 N ATOM 2180 CA ASN A 144 14.273 -10.589 7.897 1.00 0.36 C ATOM 2181 C ASN A 144 14.417 -11.740 6.896 1.00 0.57 C ATOM 2182 O ASN A 144 15.265 -12.618 7.059 1.00 -0.57 O ATOM 2183 CB ASN A 144 12.962 -10.842 8.680 1.00 0.06 C ATOM 2184 CG ASN A 144 13.134 -10.772 10.190 1.00 0.57 C ATOM 2185 OD1 ASN A 144 13.811 -11.605 10.788 1.00 -0.57 O ATOM 2186 ND2 ASN A 144 12.462 -9.839 10.846 1.00 -0.80 N ATOM 0 H ASN A 144 14.152 -9.404 6.182 1.00 -0.73 H new ATOM 0 HA ASN A 144 15.130 -10.549 8.570 1.00 0.36 H new ATOM 0 HB2 ASN A 144 12.217 -10.108 8.373 1.00 0.06 H new ATOM 0 HB3 ASN A 144 12.572 -11.824 8.412 1.00 0.06 H new ATOM 0 HD21 ASN A 144 12.501 -9.803 11.865 1.00 -0.80 H new ATOM 0 HD22 ASN A 144 11.905 -9.156 10.333 1.00 -0.80 H new ATOM 2193 N GLY A 145 13.541 -11.750 5.887 1.00 -0.73 N ATOM 2194 CA GLY A 145 13.434 -12.803 4.893 1.00 0.36 C ATOM 2195 C GLY A 145 13.810 -12.221 3.541 1.00 0.57 C ATOM 2196 O GLY A 145 14.954 -11.817 3.331 1.00 -0.57 O ATOM 0 H GLY A 145 12.868 -10.997 5.742 1.00 -0.73 H new ATOM 0 HA2 GLY A 145 14.094 -13.633 5.146 1.00 0.36 H new ATOM 0 HA3 GLY A 145 12.419 -13.199 4.867 1.00 0.36 H new ATOM 2200 N ASP A 146 12.830 -12.141 2.642 1.00 -0.73 N ATOM 2201 CA ASP A 146 12.971 -11.506 1.347 1.00 0.36 C ATOM 2202 C ASP A 146 11.575 -10.969 0.967 1.00 0.57 C ATOM 2203 O ASP A 146 10.576 -11.661 1.211 1.00 -0.57 O ATOM 2204 CB ASP A 146 13.536 -12.531 0.342 1.00 0.06 C ATOM 2205 CG ASP A 146 14.015 -11.889 -0.959 1.00 0.66 C ATOM 2206 OD1 ASP A 146 13.473 -10.863 -1.337 1.00 -0.57 O ATOM 2207 OD2 ASP A 146 15.063 -12.386 -1.611 1.00 -0.65 O ATOM 0 H ASP A 146 11.899 -12.526 2.804 1.00 -0.73 H new ATOM 0 HA ASP A 146 13.673 -10.672 1.352 1.00 0.36 H new ATOM 0 HB2 ASP A 146 14.366 -13.065 0.804 1.00 0.06 H new ATOM 0 HB3 ASP A 146 12.768 -13.270 0.115 1.00 0.06 H new ATOM 2213 N PRO A 147 11.458 -9.721 0.471 1.00 -0.66 N ATOM 2214 CA PRO A 147 10.230 -9.183 -0.104 1.00 0.36 C ATOM 2215 C PRO A 147 10.069 -9.486 -1.601 1.00 0.57 C ATOM 2216 O PRO A 147 9.023 -9.179 -2.163 1.00 -0.57 O ATOM 2217 CB PRO A 147 10.303 -7.671 0.115 1.00 0.00 C ATOM 2218 CG PRO A 147 11.793 -7.371 0.222 1.00 0.00 C ATOM 2219 CD PRO A 147 12.466 -8.679 0.593 1.00 0.30 C ATOM 0 HA PRO A 147 9.368 -9.647 0.376 1.00 0.36 H new ATOM 0 HB2 PRO A 147 9.847 -7.128 -0.713 1.00 0.00 H new ATOM 0 HB3 PRO A 147 9.773 -7.375 1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 147 12.181 -6.988 -0.722 1.00 0.00 H new ATOM 0 HG3 PRO A 147 11.983 -6.608 0.977 1.00 0.00 H new ATOM 0 HD2 PRO A 147 13.311 -8.879 -0.066 1.00 0.30 H new ATOM 0 HD3 PRO A 147 12.858 -8.637 1.609 1.00 0.30 H new ATOM 2227 N GLN A 148 11.069 -10.032 -2.297 1.00 -0.73 N ATOM 2228 CA GLN A 148 10.932 -10.356 -3.713 1.00 0.36 C ATOM 2229 C GLN A 148 9.994 -11.556 -3.925 1.00 0.57 C ATOM 2230 O GLN A 148 9.336 -11.624 -4.961 1.00 -0.57 O ATOM 2231 CB GLN A 148 12.303 -10.624 -4.348 1.00 0.00 C ATOM 2232 CG GLN A 148 13.340 -9.485 -4.240 1.00 0.06 C ATOM 2233 CD GLN A 148 12.859 -8.108 -4.687 1.00 0.57 C ATOM 2234 OE1 GLN A 148 11.994 -7.965 -5.543 1.00 -0.57 O ATOM 2235 NE2 GLN A 148 13.428 -7.045 -4.137 1.00 -0.80 N ATOM 0 H GLN A 148 11.981 -10.258 -1.900 1.00 -0.73 H new ATOM 0 HA GLN A 148 10.487 -9.492 -4.207 1.00 0.36 H new ATOM 0 HB2 GLN A 148 12.725 -11.517 -3.886 1.00 0.00 H new ATOM 0 HB3 GLN A 148 12.153 -10.851 -5.403 1.00 0.00 H new ATOM 0 HG2 GLN A 148 13.670 -9.416 -3.203 1.00 0.06 H new ATOM 0 HG3 GLN A 148 14.213 -9.755 -4.834 1.00 0.06 H new ATOM 0 HE21 GLN A 148 14.148 -7.163 -3.424 1.00 -0.80 H new ATOM 0 HE22 GLN A 148 13.146 -6.108 -4.426 1.00 -0.80 H new ATOM 2244 N ASN A 149 9.891 -12.475 -2.950 1.00 -0.73 N ATOM 2245 CA ASN A 149 9.096 -13.706 -3.039 1.00 0.36 C ATOM 2246 C ASN A 149 7.834 -13.606 -2.175 1.00 0.57 C ATOM 2247 O ASN A 149 7.615 -14.383 -1.242 1.00 -0.57 O ATOM 2248 CB ASN A 149 9.945 -14.968 -2.783 1.00 0.06 C ATOM 2249 CG ASN A 149 10.864 -14.916 -1.562 1.00 0.57 C ATOM 2250 OD1 ASN A 149 10.549 -14.327 -0.533 1.00 -0.57 O ATOM 2251 ND2 ASN A 149 12.045 -15.513 -1.662 1.00 -0.80 N ATOM 0 H ASN A 149 10.372 -12.377 -2.056 1.00 -0.73 H new ATOM 0 HA ASN A 149 8.747 -13.817 -4.066 1.00 0.36 H new ATOM 0 HB2 ASN A 149 9.273 -15.819 -2.672 1.00 0.06 H new ATOM 0 HB3 ASN A 149 10.556 -15.157 -3.666 1.00 0.06 H new ATOM 0 HD21 ASN A 149 12.699 -15.484 -0.880 1.00 -0.80 H new ATOM 0 HD22 ASN A 149 12.299 -16.001 -2.521 1.00 -0.80 H new ATOM 2258 N PHE A 150 6.983 -12.634 -2.525 1.00 -0.73 N ATOM 2259 CA PHE A 150 5.784 -12.275 -1.777 1.00 0.36 C ATOM 2260 C PHE A 150 4.560 -12.296 -2.694 1.00 0.57 C ATOM 2261 O PHE A 150 4.654 -11.915 -3.866 1.00 -0.57 O ATOM 2262 CB PHE A 150 5.986 -10.894 -1.143 1.00 0.14 C ATOM 2263 CG PHE A 150 5.534 -9.717 -1.994 1.00 -0.14 C ATOM 2264 CD1 PHE A 150 6.195 -9.370 -3.189 1.00 -0.15 C ATOM 2265 CD2 PHE A 150 4.433 -8.954 -1.574 1.00 -0.15 C ATOM 2266 CE1 PHE A 150 5.768 -8.262 -3.940 1.00 -0.15 C ATOM 2267 CE2 PHE A 150 4.015 -7.834 -2.310 1.00 -0.15 C ATOM 2268 CZ PHE A 150 4.680 -7.493 -3.500 1.00 -0.15 C ATOM 0 H PHE A 150 7.118 -12.063 -3.360 1.00 -0.73 H new ATOM 0 HA PHE A 150 5.609 -13.002 -0.984 1.00 0.36 H new ATOM 0 HB2 PHE A 150 5.447 -10.865 -0.196 1.00 0.14 H new ATOM 0 HB3 PHE A 150 7.044 -10.769 -0.912 1.00 0.14 H new ATOM 0 HD1 PHE A 150 7.034 -9.959 -3.529 1.00 -0.15 H new ATOM 0 HD2 PHE A 150 3.902 -9.232 -0.675 1.00 -0.15 H new ATOM 0 HE1 PHE A 150 6.277 -8.002 -4.856 1.00 -0.15 H new ATOM 0 HE2 PHE A 150 3.185 -7.236 -1.963 1.00 -0.15 H new ATOM 0 HZ PHE A 150 4.354 -6.639 -4.076 1.00 -0.15 H new ATOM 2278 N LYS A 151 3.426 -12.776 -2.169 1.00 -0.73 N ATOM 2279 CA LYS A 151 2.181 -12.928 -2.920 1.00 0.36 C ATOM 2280 C LYS A 151 0.997 -13.184 -1.975 1.00 0.57 C ATOM 2281 O LYS A 151 0.223 -14.112 -2.198 1.00 -0.57 O ATOM 2282 CB LYS A 151 2.296 -14.001 -4.031 1.00 0.00 C ATOM 2283 CG LYS A 151 2.788 -15.383 -3.557 1.00 0.00 C ATOM 2284 CD LYS A 151 4.322 -15.536 -3.548 1.00 0.00 C ATOM 2285 CE LYS A 151 4.826 -16.557 -4.575 1.00 0.50 C ATOM 2286 NZ LYS A 151 5.534 -17.683 -3.926 1.00 -0.85 N ATOM 0 H LYS A 151 3.350 -13.073 -1.196 1.00 -0.73 H new ATOM 0 HA LYS A 151 1.987 -11.986 -3.433 1.00 0.36 H new ATOM 0 HB2 LYS A 151 1.320 -14.122 -4.501 1.00 0.00 H new ATOM 0 HB3 LYS A 151 2.976 -13.634 -4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 151 2.409 -15.566 -2.551 1.00 0.00 H new ATOM 0 HG3 LYS A 151 2.361 -16.150 -4.203 1.00 0.00 H new ATOM 0 HD2 LYS A 151 4.780 -14.568 -3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 151 4.646 -15.839 -2.552 1.00 0.00 H new ATOM 0 HE2 LYS A 151 3.983 -16.940 -5.151 1.00 0.50 H new ATOM 0 HE3 LYS A 151 5.496 -16.064 -5.280 1.00 0.50 H new ATOM 0 HZ1 LYS A 151 5.860 -18.353 -4.652 1.00 -0.85 H new ATOM 0 HZ2 LYS A 151 6.353 -17.320 -3.397 1.00 -0.85 H new ATOM 0 HZ3 LYS A 151 4.887 -18.169 -3.272 1.00 -0.85 H new ATOM 2300 N LEU A 152 0.846 -12.320 -0.961 1.00 -0.73 N ATOM 2301 CA LEU A 152 -0.288 -12.310 -0.033 1.00 0.36 C ATOM 2302 C LEU A 152 -0.249 -13.553 0.885 1.00 0.57 C ATOM 2303 O LEU A 152 -0.968 -14.512 0.638 1.00 -0.57 O ATOM 2304 CB LEU A 152 -1.645 -12.125 -0.770 1.00 0.00 C ATOM 2305 CG LEU A 152 -1.763 -10.896 -1.706 1.00 0.00 C ATOM 2306 CD1 LEU A 152 -1.397 -11.229 -3.157 1.00 0.00 C ATOM 2307 CD2 LEU A 152 -3.194 -10.338 -1.736 1.00 0.00 C ATOM 0 H LEU A 152 1.529 -11.590 -0.760 1.00 -0.73 H new ATOM 0 HA LEU A 152 -0.195 -11.438 0.614 1.00 0.36 H new ATOM 0 HB2 LEU A 152 -1.838 -13.022 -1.359 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -2.434 -12.060 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 152 -1.066 -10.164 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 152 -1.496 -10.334 -3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 152 -0.368 -11.587 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 152 -2.066 -12.003 -3.533 1.00 0.00 H new ATOM 0 HD21 LEU A 152 -3.235 -9.477 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -3.877 -11.108 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -3.486 -10.032 -0.731 1.00 0.00 H new ATOM 2319 N SER A 153 0.632 -13.556 1.904 1.00 -0.73 N ATOM 2320 CA SER A 153 0.881 -14.721 2.773 1.00 0.36 C ATOM 2321 C SER A 153 -0.320 -15.026 3.690 1.00 0.57 C ATOM 2322 O SER A 153 -1.234 -15.734 3.285 1.00 -0.57 O ATOM 2323 CB SER A 153 2.203 -14.526 3.543 1.00 0.28 C ATOM 2324 OG SER A 153 2.452 -15.560 4.488 1.00 -0.68 O ATOM 0 H SER A 153 1.196 -12.742 2.149 1.00 -0.73 H new ATOM 0 HA SER A 153 0.993 -15.608 2.150 1.00 0.36 H new ATOM 0 HB2 SER A 153 3.028 -14.484 2.832 1.00 0.28 H new ATOM 0 HB3 SER A 153 2.178 -13.567 4.060 1.00 0.28 H new ATOM 0 HG SER A 153 3.302 -15.388 4.945 1.00 -0.68 H new ATOM 2330 N GLN A 154 -0.329 -14.515 4.930 1.00 -0.73 N ATOM 2331 CA GLN A 154 -1.354 -14.819 5.935 1.00 0.36 C ATOM 2332 C GLN A 154 -1.862 -13.531 6.550 1.00 0.57 C ATOM 2333 O GLN A 154 -3.067 -13.364 6.653 1.00 -0.57 O ATOM 2334 CB GLN A 154 -0.803 -15.711 7.062 1.00 0.00 C ATOM 2335 CG GLN A 154 -0.427 -17.128 6.620 1.00 0.06 C ATOM 2336 CD GLN A 154 -1.646 -18.010 6.348 1.00 0.57 C ATOM 2337 OE1 GLN A 154 -2.205 -18.004 5.260 1.00 -0.57 O ATOM 2338 NE2 GLN A 154 -2.077 -18.811 7.314 1.00 -0.80 N ATOM 0 H GLN A 154 0.386 -13.870 5.266 1.00 -0.73 H new ATOM 0 HA GLN A 154 -2.159 -15.352 5.429 1.00 0.36 H new ATOM 0 HB2 GLN A 154 0.077 -15.232 7.491 1.00 0.00 H new ATOM 0 HB3 GLN A 154 -1.548 -15.776 7.855 1.00 0.00 H new ATOM 0 HG2 GLN A 154 0.183 -17.072 5.718 1.00 0.06 H new ATOM 0 HG3 GLN A 154 0.187 -17.593 7.392 1.00 0.06 H new ATOM 0 HE21 GLN A 154 -1.609 -18.814 8.220 1.00 -0.80 H new ATOM 0 HE22 GLN A 154 -2.876 -19.423 7.150 1.00 -0.80 H new ATOM 2347 N ASP A 155 -0.960 -12.607 6.900 1.00 -0.73 N ATOM 2348 CA ASP A 155 -1.295 -11.230 7.240 1.00 0.36 C ATOM 2349 C ASP A 155 -2.200 -10.617 6.172 1.00 0.57 C ATOM 2350 O ASP A 155 -3.247 -10.078 6.521 1.00 -0.57 O ATOM 2351 CB ASP A 155 0.021 -10.466 7.410 1.00 0.06 C ATOM 2352 CG ASP A 155 -0.090 -8.971 7.128 1.00 0.66 C ATOM 2353 OD1 ASP A 155 0.706 -8.540 6.310 1.00 -0.57 O ATOM 2354 OD2 ASP A 155 -0.971 -8.261 7.827 1.00 -0.65 O ATOM 0 H ASP A 155 0.039 -12.804 6.954 1.00 -0.73 H new ATOM 0 HA ASP A 155 -1.859 -11.179 8.171 1.00 0.36 H new ATOM 0 HB2 ASP A 155 0.383 -10.608 8.428 1.00 0.06 H new ATOM 0 HB3 ASP A 155 0.768 -10.897 6.744 1.00 0.06 H new ATOM 2360 N ASP A 156 -1.869 -10.797 4.884 1.00 -0.73 N ATOM 2361 CA ASP A 156 -2.699 -10.273 3.805 1.00 0.36 C ATOM 2362 C ASP A 156 -4.092 -10.871 3.871 1.00 0.57 C ATOM 2363 O ASP A 156 -5.043 -10.119 4.009 1.00 -0.57 O ATOM 2364 CB ASP A 156 -2.125 -10.561 2.415 1.00 0.06 C ATOM 2365 CG ASP A 156 -2.259 -9.339 1.498 1.00 0.66 C ATOM 2366 OD1 ASP A 156 -1.292 -9.021 0.825 1.00 -0.57 O ATOM 2367 OD2 ASP A 156 -3.441 -8.729 1.473 1.00 -0.65 O ATOM 0 H ASP A 156 -1.037 -11.299 4.573 1.00 -0.73 H new ATOM 0 HA ASP A 156 -2.729 -9.193 3.948 1.00 0.36 H new ATOM 0 HB2 ASP A 156 -1.075 -10.840 2.503 1.00 0.06 H new ATOM 0 HB3 ASP A 156 -2.645 -11.410 1.972 1.00 0.06 H new ATOM 2373 N ILE A 157 -4.216 -12.209 3.840 1.00 -0.73 N ATOM 2374 CA ILE A 157 -5.511 -12.885 3.851 1.00 0.36 C ATOM 2375 C ILE A 157 -6.276 -12.476 5.108 1.00 0.57 C ATOM 2376 O ILE A 157 -7.462 -12.175 5.022 1.00 -0.57 O ATOM 2377 CB ILE A 157 -5.340 -14.425 3.713 1.00 0.00 C ATOM 2378 CG1 ILE A 157 -5.338 -14.853 2.228 1.00 0.00 C ATOM 2379 CG2 ILE A 157 -6.456 -15.229 4.413 1.00 0.00 C ATOM 2380 CD1 ILE A 157 -4.114 -14.391 1.434 1.00 0.00 C ATOM 0 H ILE A 157 -3.419 -12.845 3.807 1.00 -0.73 H new ATOM 0 HA ILE A 157 -6.100 -12.577 2.987 1.00 0.36 H new ATOM 0 HB ILE A 157 -4.386 -14.645 4.193 1.00 0.00 H new ATOM 0 HG12 ILE A 157 -5.399 -15.940 2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 157 -6.235 -14.460 1.749 1.00 0.00 H new ATOM 0 HG21 ILE A 157 -6.276 -16.295 4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 157 -6.461 -14.994 5.477 1.00 0.00 H new ATOM 0 HG23 ILE A 157 -7.421 -14.966 3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 157 -4.197 -14.736 0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 157 -4.060 -13.302 1.449 1.00 0.00 H new ATOM 0 HD13 ILE A 157 -3.211 -14.805 1.883 1.00 0.00 H new ATOM 2392 N LYS A 158 -5.612 -12.439 6.267 1.00 -0.73 N ATOM 2393 CA LYS A 158 -6.228 -12.097 7.538 1.00 0.36 C ATOM 2394 C LYS A 158 -6.720 -10.654 7.528 1.00 0.57 C ATOM 2395 O LYS A 158 -7.805 -10.395 8.039 1.00 -0.57 O ATOM 2396 CB LYS A 158 -5.247 -12.386 8.681 1.00 0.00 C ATOM 2397 CG LYS A 158 -5.962 -12.475 10.041 1.00 0.00 C ATOM 2398 CD LYS A 158 -5.275 -13.487 10.974 1.00 0.00 C ATOM 2399 CE LYS A 158 -6.239 -13.900 12.095 1.00 0.50 C ATOM 2400 NZ LYS A 158 -5.675 -14.962 12.954 1.00 -0.85 N ATOM 0 H LYS A 158 -4.617 -12.650 6.342 1.00 -0.73 H new ATOM 0 HA LYS A 158 -7.109 -12.718 7.700 1.00 0.36 H new ATOM 0 HB2 LYS A 158 -4.725 -13.322 8.483 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -4.492 -11.601 8.718 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -5.972 -11.492 10.513 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -7.001 -12.766 9.889 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -4.964 -14.365 10.407 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -4.373 -13.048 11.401 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -6.477 -13.029 12.706 1.00 0.50 H new ATOM 0 HE3 LYS A 158 -7.175 -14.248 11.657 1.00 0.50 H new ATOM 0 HZ1 LYS A 158 -6.360 -15.209 13.696 1.00 -0.85 H new ATOM 0 HZ2 LYS A 158 -5.471 -15.803 12.377 1.00 -0.85 H new ATOM 0 HZ3 LYS A 158 -4.796 -14.623 13.394 1.00 -0.85 H new ATOM 2414 N GLY A 159 -5.965 -9.737 6.917 1.00 -0.73 N ATOM 2415 CA GLY A 159 -6.361 -8.354 6.720 1.00 0.36 C ATOM 2416 C GLY A 159 -7.503 -8.259 5.717 1.00 0.57 C ATOM 2417 O GLY A 159 -8.521 -7.653 6.028 1.00 -0.57 O ATOM 0 H GLY A 159 -5.041 -9.948 6.539 1.00 -0.73 H new ATOM 0 HA2 GLY A 159 -6.669 -7.920 7.671 1.00 0.36 H new ATOM 0 HA3 GLY A 159 -5.509 -7.774 6.365 1.00 0.36 H new ATOM 2421 N ILE A 160 -7.382 -8.899 4.552 1.00 -0.73 N ATOM 2422 CA ILE A 160 -8.375 -8.938 3.485 1.00 0.36 C ATOM 2423 C ILE A 160 -9.699 -9.473 4.016 1.00 0.57 C ATOM 2424 O ILE A 160 -10.708 -8.772 3.958 1.00 -0.57 O ATOM 2425 CB ILE A 160 -7.801 -9.726 2.272 1.00 0.00 C ATOM 2426 CG1 ILE A 160 -7.193 -8.777 1.222 1.00 0.00 C ATOM 2427 CG2 ILE A 160 -8.759 -10.714 1.596 1.00 0.00 C ATOM 2428 CD1 ILE A 160 -8.217 -7.870 0.531 1.00 0.00 C ATOM 0 H ILE A 160 -6.543 -9.431 4.319 1.00 -0.73 H new ATOM 0 HA ILE A 160 -8.594 -7.934 3.121 1.00 0.36 H new ATOM 0 HB ILE A 160 -7.023 -10.347 2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 160 -6.439 -8.155 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 160 -6.680 -9.371 0.465 1.00 0.00 H new ATOM 0 HG21 ILE A 160 -8.250 -11.204 0.766 1.00 0.00 H new ATOM 0 HG22 ILE A 160 -9.078 -11.464 2.319 1.00 0.00 H new ATOM 0 HG23 ILE A 160 -9.631 -10.177 1.222 1.00 0.00 H new ATOM 0 HD11 ILE A 160 -7.709 -7.233 -0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 160 -8.958 -8.483 0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 160 -8.713 -7.248 1.276 1.00 0.00 H new ATOM 2440 N GLN A 161 -9.708 -10.672 4.599 1.00 -0.73 N ATOM 2441 CA GLN A 161 -10.932 -11.282 5.094 1.00 0.36 C ATOM 2442 C GLN A 161 -11.533 -10.450 6.225 1.00 0.57 C ATOM 2443 O GLN A 161 -12.711 -10.599 6.513 1.00 -0.57 O ATOM 2444 CB GLN A 161 -10.697 -12.743 5.510 1.00 0.00 C ATOM 2445 CG GLN A 161 -10.046 -12.883 6.894 1.00 0.06 C ATOM 2446 CD GLN A 161 -9.912 -14.334 7.344 1.00 0.57 C ATOM 2447 OE1 GLN A 161 -9.648 -15.238 6.551 1.00 -0.57 O ATOM 2448 NE2 GLN A 161 -10.129 -14.581 8.631 1.00 -0.80 N ATOM 0 H GLN A 161 -8.872 -11.240 4.738 1.00 -0.73 H new ATOM 0 HA GLN A 161 -11.659 -11.299 4.282 1.00 0.36 H new ATOM 0 HB2 GLN A 161 -11.650 -13.272 5.509 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -10.063 -13.228 4.767 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -9.059 -12.422 6.874 1.00 0.06 H new ATOM 0 HG3 GLN A 161 -10.639 -12.334 7.626 1.00 0.06 H new ATOM 0 HE21 GLN A 161 -10.346 -13.814 9.268 1.00 -0.80 H new ATOM 0 HE22 GLN A 161 -10.079 -15.537 8.982 1.00 -0.80 H new ATOM 2457 N LYS A 162 -10.742 -9.595 6.884 1.00 -0.73 N ATOM 2458 CA LYS A 162 -11.220 -8.701 7.923 1.00 0.36 C ATOM 2459 C LYS A 162 -11.710 -7.375 7.331 1.00 0.57 C ATOM 2460 O LYS A 162 -12.647 -6.793 7.874 1.00 -0.57 O ATOM 2461 CB LYS A 162 -10.079 -8.541 8.926 1.00 0.00 C ATOM 2462 CG LYS A 162 -10.482 -7.799 10.200 1.00 0.00 C ATOM 2463 CD LYS A 162 -9.880 -8.485 11.426 1.00 0.00 C ATOM 2464 CE LYS A 162 -10.614 -9.803 11.717 1.00 0.50 C ATOM 2465 NZ LYS A 162 -9.757 -10.753 12.449 1.00 -0.85 N ATOM 0 H LYS A 162 -9.742 -9.510 6.702 1.00 -0.73 H new ATOM 0 HA LYS A 162 -12.091 -9.109 8.436 1.00 0.36 H new ATOM 0 HB2 LYS A 162 -9.702 -9.528 9.194 1.00 0.00 H new ATOM 0 HB3 LYS A 162 -9.259 -8.005 8.448 1.00 0.00 H new ATOM 0 HG2 LYS A 162 -10.142 -6.765 10.150 1.00 0.00 H new ATOM 0 HG3 LYS A 162 -11.568 -7.773 10.286 1.00 0.00 H new ATOM 0 HD2 LYS A 162 -8.821 -8.681 11.258 1.00 0.00 H new ATOM 0 HD3 LYS A 162 -9.949 -7.825 12.290 1.00 0.00 H new ATOM 0 HE2 LYS A 162 -11.512 -9.599 12.300 1.00 0.50 H new ATOM 0 HE3 LYS A 162 -10.939 -10.254 10.779 1.00 0.50 H new ATOM 0 HZ1 LYS A 162 -10.286 -11.631 12.628 1.00 -0.85 H new ATOM 0 HZ2 LYS A 162 -8.912 -10.967 11.881 1.00 -0.85 H new ATOM 0 HZ3 LYS A 162 -9.468 -10.332 13.355 1.00 -0.85 H new ATOM 2479 N LEU A 163 -11.136 -6.939 6.203 1.00 -0.73 N ATOM 2480 CA LEU A 163 -11.562 -5.784 5.423 1.00 0.36 C ATOM 2481 C LEU A 163 -12.968 -6.018 4.882 1.00 0.57 C ATOM 2482 O LEU A 163 -13.875 -5.244 5.184 1.00 -0.57 O ATOM 2483 CB LEU A 163 -10.573 -5.510 4.265 1.00 0.00 C ATOM 2484 CG LEU A 163 -9.307 -4.733 4.670 1.00 0.00 C ATOM 2485 CD1 LEU A 163 -8.096 -5.099 3.814 1.00 0.00 C ATOM 2486 CD2 LEU A 163 -9.518 -3.249 4.411 1.00 0.00 C ATOM 0 H LEU A 163 -10.326 -7.407 5.796 1.00 -0.73 H new ATOM 0 HA LEU A 163 -11.573 -4.907 6.071 1.00 0.36 H new ATOM 0 HB2 LEU A 163 -10.274 -6.463 3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 163 -11.092 -4.951 3.486 1.00 0.00 H new ATOM 0 HG LEU A 163 -9.130 -4.977 5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 163 -7.231 -4.522 4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 163 -7.884 -6.163 3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 163 -8.308 -4.873 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 163 -8.622 -2.699 4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 163 -9.718 -3.089 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 163 -10.365 -2.894 4.998 1.00 0.00 H new ATOM 2498 N TYR A 164 -13.166 -7.094 4.109 1.00 -0.73 N ATOM 2499 CA TYR A 164 -14.464 -7.374 3.491 1.00 0.36 C ATOM 2500 C TYR A 164 -15.356 -8.276 4.347 1.00 0.57 C ATOM 2501 O TYR A 164 -16.473 -8.575 3.929 1.00 -0.57 O ATOM 2502 CB TYR A 164 -14.294 -7.919 2.062 1.00 0.14 C ATOM 2503 CG TYR A 164 -14.043 -9.414 1.938 1.00 -0.14 C ATOM 2504 CD1 TYR A 164 -12.739 -9.937 1.992 1.00 -0.15 C ATOM 2505 CD2 TYR A 164 -15.121 -10.287 1.703 1.00 -0.15 C ATOM 2506 CE1 TYR A 164 -12.500 -11.311 1.805 1.00 -0.15 C ATOM 2507 CE2 TYR A 164 -14.894 -11.656 1.499 1.00 -0.15 C ATOM 2508 CZ TYR A 164 -13.582 -12.175 1.527 1.00 0.08 C ATOM 2509 OH TYR A 164 -13.366 -13.476 1.186 1.00 -0.53 O ATOM 0 H TYR A 164 -12.444 -7.783 3.898 1.00 -0.73 H new ATOM 0 HA TYR A 164 -14.988 -6.421 3.424 1.00 0.36 H new ATOM 0 HB2 TYR A 164 -15.191 -7.674 1.493 1.00 0.14 H new ATOM 0 HB3 TYR A 164 -13.464 -7.392 1.591 1.00 0.14 H new ATOM 0 HD1 TYR A 164 -11.908 -9.274 2.180 1.00 -0.15 H new ATOM 0 HD2 TYR A 164 -16.129 -9.901 1.680 1.00 -0.15 H new ATOM 0 HE1 TYR A 164 -11.496 -11.702 1.874 1.00 -0.15 H new ATOM 0 HE2 TYR A 164 -15.729 -12.317 1.319 1.00 -0.15 H new ATOM 0 HH TYR A 164 -14.226 -13.921 1.031 1.00 -0.53 H new