USER MOD reduce.3.24.130724 H: found=0, std=0, add=895, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 895 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 65 THR OG1 : rot 173:sc= -0.825 USER MOD Set 1.2: A 118 SER OG : rot 180:sc= -0.443 USER MOD Set 1.3: A 122 LYS NZ :NH3+ -130:sc= 0.0492 (180deg=-3.12!) USER MOD Set 2.1: A 68 ASN : amide:sc= 0.441 K(o=1,f=-17!) USER MOD Set 2.2: A 72 LYS NZ :NH3+ 142:sc= 0.569 (180deg=0) USER MOD Set 3.1: A 13 THR OG1 : rot 180:sc= -2.66! USER MOD Set 3.2: A 50 MET CE :methyl -165:sc= -2.06! (180deg=-2.56!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 19 ASN : amide:sc= -0.505 K(o=-0.51,f=-3.9!) USER MOD Single : A 21 ASN : amide:sc= -0.703 K(o=-0.7,f=-3.7!) USER MOD Single : A 23 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.81! C(o=-2.5!,f=-1.8!) USER MOD Single : A 34 MET CE :methyl 173:sc=-0.00359 (180deg=-0.11) USER MOD Single : A 38 ASN : amide:sc= -0.0989 K(o=-0.099,f=-0.65) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -119:sc= -0.0588 (180deg=-0.642) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 141:sc= 0.232 USER MOD Single : A 59 MET CE :methyl -107:sc= -9.47! (180deg=-12.9!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 CYS SG : rot 76:sc= 0.537 USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.622 F(o=-2.9,f=-0.62) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -142:sc= -2.75! (180deg=-3.83!) USER MOD Single : A 81 THR OG1 : rot 166:sc= -1.85! USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 MET CE :methyl 151:sc= -1.21 (180deg=-2.53!) USER MOD Single : A 96 THR OG1 : rot 84:sc= 1.11 USER MOD Single : A 98 MET CE :methyl 180:sc= -10.8! (180deg=-10.8!) USER MOD Single : A 101 LYS NZ :NH3+ 139:sc= -1.05! (180deg=-3.28!) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN :FLIP amide:sc= -6.23! C(o=-8.3!,f=-6.2!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N VAL A 8 8.270 -17.860 2.451 1.00 0.00 N ATOM 115 CA VAL A 8 9.121 -16.635 2.407 1.00 0.00 C ATOM 116 C VAL A 8 8.393 -15.523 1.662 1.00 0.00 C ATOM 117 O VAL A 8 8.553 -14.352 1.943 1.00 0.00 O ATOM 118 CB VAL A 8 10.387 -17.054 1.660 1.00 0.00 C ATOM 119 CG1 VAL A 8 11.236 -15.819 1.356 1.00 0.00 C ATOM 120 CG2 VAL A 8 11.193 -18.024 2.529 1.00 0.00 C ATOM 0 HA VAL A 8 9.351 -16.252 3.401 1.00 0.00 H new ATOM 0 HB VAL A 8 10.111 -17.543 0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.138 -16.120 0.823 1.00 0.00 H new ATOM 0 HG12 VAL A 8 10.664 -15.127 0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 8 11.512 -15.329 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.096 -18.324 1.998 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.467 -17.534 3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 8 10.590 -18.906 2.746 1.00 0.00 H new ATOM 130 N PHE A 9 7.588 -15.893 0.720 1.00 0.00 N ATOM 131 CA PHE A 9 6.821 -14.878 -0.057 1.00 0.00 C ATOM 132 C PHE A 9 5.997 -14.010 0.897 1.00 0.00 C ATOM 133 O PHE A 9 5.848 -12.820 0.704 1.00 0.00 O ATOM 134 CB PHE A 9 5.902 -15.689 -0.970 1.00 0.00 C ATOM 135 CG PHE A 9 6.333 -15.518 -2.407 1.00 0.00 C ATOM 136 CD1 PHE A 9 6.598 -14.240 -2.912 1.00 0.00 C ATOM 137 CD2 PHE A 9 6.467 -16.640 -3.235 1.00 0.00 C ATOM 138 CE1 PHE A 9 6.997 -14.083 -4.244 1.00 0.00 C ATOM 139 CE2 PHE A 9 6.866 -16.482 -4.567 1.00 0.00 C ATOM 140 CZ PHE A 9 7.131 -15.204 -5.072 1.00 0.00 C ATOM 0 H PHE A 9 7.422 -16.862 0.447 1.00 0.00 H new ATOM 0 HA PHE A 9 7.469 -14.210 -0.624 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.936 -16.743 -0.693 1.00 0.00 H new ATOM 0 HB3 PHE A 9 4.870 -15.360 -0.848 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.495 -13.375 -2.274 1.00 0.00 H new ATOM 0 HD2 PHE A 9 6.262 -17.626 -2.846 1.00 0.00 H new ATOM 0 HE1 PHE A 9 7.202 -13.097 -4.633 1.00 0.00 H new ATOM 0 HE2 PHE A 9 6.969 -17.347 -5.206 1.00 0.00 H new ATOM 0 HZ PHE A 9 7.439 -15.083 -6.100 1.00 0.00 H new ATOM 150 N VAL A 10 5.459 -14.602 1.929 1.00 0.00 N ATOM 151 CA VAL A 10 4.642 -13.821 2.899 1.00 0.00 C ATOM 152 C VAL A 10 5.548 -13.112 3.910 1.00 0.00 C ATOM 153 O VAL A 10 5.356 -11.954 4.220 1.00 0.00 O ATOM 154 CB VAL A 10 3.763 -14.855 3.601 1.00 0.00 C ATOM 155 CG1 VAL A 10 2.768 -14.142 4.517 1.00 0.00 C ATOM 156 CG2 VAL A 10 2.996 -15.667 2.555 1.00 0.00 C ATOM 0 H VAL A 10 5.551 -15.595 2.142 1.00 0.00 H new ATOM 0 HA VAL A 10 4.050 -13.048 2.409 1.00 0.00 H new ATOM 0 HB VAL A 10 4.391 -15.521 4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 10 2.141 -14.880 5.018 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.311 -13.562 5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.141 -13.475 3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.369 -16.405 3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.369 -14.999 1.964 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.703 -16.176 1.900 1.00 0.00 H new ATOM 166 N ASP A 11 6.534 -13.794 4.429 1.00 0.00 N ATOM 167 CA ASP A 11 7.438 -13.140 5.418 1.00 0.00 C ATOM 168 C ASP A 11 7.982 -11.842 4.837 1.00 0.00 C ATOM 169 O ASP A 11 8.384 -10.939 5.547 1.00 0.00 O ATOM 170 CB ASP A 11 8.567 -14.143 5.662 1.00 0.00 C ATOM 171 CG ASP A 11 9.467 -13.634 6.788 1.00 0.00 C ATOM 172 OD1 ASP A 11 9.135 -12.616 7.372 1.00 0.00 O ATOM 173 OD2 ASP A 11 10.475 -14.272 7.048 1.00 0.00 O ATOM 0 H ASP A 11 6.751 -14.767 4.213 1.00 0.00 H new ATOM 0 HA ASP A 11 6.925 -12.887 6.346 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.153 -15.116 5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.149 -14.280 4.751 1.00 0.00 H new ATOM 178 N GLU A 12 7.979 -11.744 3.548 1.00 0.00 N ATOM 179 CA GLU A 12 8.478 -10.508 2.886 1.00 0.00 C ATOM 180 C GLU A 12 7.336 -9.501 2.753 1.00 0.00 C ATOM 181 O GLU A 12 7.525 -8.311 2.896 1.00 0.00 O ATOM 182 CB GLU A 12 8.959 -10.958 1.507 1.00 0.00 C ATOM 183 CG GLU A 12 10.354 -11.573 1.631 1.00 0.00 C ATOM 184 CD GLU A 12 11.079 -11.469 0.287 1.00 0.00 C ATOM 185 OE1 GLU A 12 11.338 -10.356 -0.140 1.00 0.00 O ATOM 186 OE2 GLU A 12 11.362 -12.505 -0.292 1.00 0.00 O ATOM 0 H GLU A 12 7.650 -12.471 2.913 1.00 0.00 H new ATOM 0 HA GLU A 12 9.275 -10.024 3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.265 -11.686 1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.983 -10.109 0.823 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.923 -11.057 2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.277 -12.617 1.935 1.00 0.00 H new ATOM 193 N THR A 13 6.149 -9.974 2.484 1.00 0.00 N ATOM 194 CA THR A 13 4.992 -9.044 2.344 1.00 0.00 C ATOM 195 C THR A 13 4.661 -8.402 3.697 1.00 0.00 C ATOM 196 O THR A 13 4.229 -7.270 3.767 1.00 0.00 O ATOM 197 CB THR A 13 3.837 -9.922 1.835 1.00 0.00 C ATOM 198 OG1 THR A 13 2.974 -9.137 1.024 1.00 0.00 O ATOM 199 CG2 THR A 13 3.040 -10.503 3.010 1.00 0.00 C ATOM 0 H THR A 13 5.931 -10.962 2.355 1.00 0.00 H new ATOM 0 HA THR A 13 5.195 -8.220 1.660 1.00 0.00 H new ATOM 0 HB THR A 13 4.252 -10.745 1.253 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.237 -9.694 0.696 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.227 -11.121 2.628 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.698 -11.111 3.631 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.628 -9.690 3.607 1.00 0.00 H new ATOM 207 N LYS A 14 4.862 -9.116 4.771 1.00 0.00 N ATOM 208 CA LYS A 14 4.559 -8.544 6.113 1.00 0.00 C ATOM 209 C LYS A 14 5.647 -7.549 6.512 1.00 0.00 C ATOM 210 O LYS A 14 5.367 -6.464 6.981 1.00 0.00 O ATOM 211 CB LYS A 14 4.550 -9.743 7.062 1.00 0.00 C ATOM 212 CG LYS A 14 3.151 -10.359 7.100 1.00 0.00 C ATOM 213 CD LYS A 14 3.244 -11.842 6.740 1.00 0.00 C ATOM 214 CE LYS A 14 2.981 -12.690 7.989 1.00 0.00 C ATOM 215 NZ LYS A 14 4.323 -12.903 8.599 1.00 0.00 N ATOM 0 H LYS A 14 5.223 -10.070 4.777 1.00 0.00 H new ATOM 0 HA LYS A 14 3.611 -8.006 6.133 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.276 -10.486 6.732 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.847 -9.429 8.063 1.00 0.00 H new ATOM 0 HG2 LYS A 14 2.715 -10.240 8.092 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.494 -9.843 6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.518 -12.085 5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.231 -12.068 6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.310 -12.179 8.679 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.510 -13.638 7.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.225 -13.477 9.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.938 -13.398 7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.744 -11.983 8.841 1.00 0.00 H new ATOM 229 N GLU A 15 6.887 -7.907 6.328 1.00 0.00 N ATOM 230 CA GLU A 15 7.982 -6.969 6.694 1.00 0.00 C ATOM 231 C GLU A 15 7.911 -5.729 5.810 1.00 0.00 C ATOM 232 O GLU A 15 8.459 -4.690 6.120 1.00 0.00 O ATOM 233 CB GLU A 15 9.278 -7.742 6.446 1.00 0.00 C ATOM 234 CG GLU A 15 9.444 -8.818 7.520 1.00 0.00 C ATOM 235 CD GLU A 15 10.893 -9.310 7.528 1.00 0.00 C ATOM 236 OE1 GLU A 15 11.701 -8.721 6.830 1.00 0.00 O ATOM 237 OE2 GLU A 15 11.169 -10.267 8.232 1.00 0.00 O ATOM 0 H GLU A 15 7.187 -8.802 5.943 1.00 0.00 H new ATOM 0 HA GLU A 15 7.914 -6.631 7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 15 9.257 -8.200 5.457 1.00 0.00 H new ATOM 0 HB3 GLU A 15 10.129 -7.061 6.464 1.00 0.00 H new ATOM 0 HG2 GLU A 15 9.180 -8.415 8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.767 -9.650 7.325 1.00 0.00 H new ATOM 244 N TYR A 16 7.227 -5.842 4.715 1.00 0.00 N ATOM 245 CA TYR A 16 7.093 -4.687 3.787 1.00 0.00 C ATOM 246 C TYR A 16 5.849 -3.869 4.135 1.00 0.00 C ATOM 247 O TYR A 16 5.854 -2.662 4.044 1.00 0.00 O ATOM 248 CB TYR A 16 6.967 -5.299 2.393 1.00 0.00 C ATOM 249 CG TYR A 16 8.197 -4.957 1.585 1.00 0.00 C ATOM 250 CD1 TYR A 16 9.465 -5.057 2.170 1.00 0.00 C ATOM 251 CD2 TYR A 16 8.070 -4.539 0.255 1.00 0.00 C ATOM 252 CE1 TYR A 16 10.606 -4.739 1.425 1.00 0.00 C ATOM 253 CE2 TYR A 16 9.211 -4.221 -0.490 1.00 0.00 C ATOM 254 CZ TYR A 16 10.480 -4.321 0.094 1.00 0.00 C ATOM 255 OH TYR A 16 11.605 -4.007 -0.640 1.00 0.00 O ATOM 0 H TYR A 16 6.749 -6.692 4.417 1.00 0.00 H new ATOM 0 HA TYR A 16 7.944 -4.009 3.852 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.855 -6.381 2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.074 -4.920 1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.562 -5.380 3.196 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.092 -4.462 -0.196 1.00 0.00 H new ATOM 0 HE1 TYR A 16 11.584 -4.816 1.876 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.113 -3.898 -1.516 1.00 0.00 H new ATOM 0 HH TYR A 16 11.341 -3.737 -1.544 1.00 0.00 H new ATOM 265 N LEU A 17 4.785 -4.510 4.539 1.00 0.00 N ATOM 266 CA LEU A 17 3.559 -3.741 4.898 1.00 0.00 C ATOM 267 C LEU A 17 3.894 -2.783 6.026 1.00 0.00 C ATOM 268 O LEU A 17 3.477 -1.642 6.043 1.00 0.00 O ATOM 269 CB LEU A 17 2.546 -4.785 5.363 1.00 0.00 C ATOM 270 CG LEU A 17 2.054 -5.561 4.151 1.00 0.00 C ATOM 271 CD1 LEU A 17 1.486 -6.910 4.595 1.00 0.00 C ATOM 272 CD2 LEU A 17 0.967 -4.750 3.442 1.00 0.00 C ATOM 0 H LEU A 17 4.712 -5.523 4.635 1.00 0.00 H new ATOM 0 HA LEU A 17 3.168 -3.156 4.066 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.005 -5.462 6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.709 -4.301 5.867 1.00 0.00 H new ATOM 0 HG LEU A 17 2.885 -5.734 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.135 -7.462 3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.264 -7.484 5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.654 -6.747 5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.611 -5.302 2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.137 -4.577 4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.378 -3.793 3.121 1.00 0.00 H new ATOM 284 N GLN A 18 4.678 -3.236 6.956 1.00 0.00 N ATOM 285 CA GLN A 18 5.086 -2.353 8.073 1.00 0.00 C ATOM 286 C GLN A 18 5.997 -1.290 7.501 1.00 0.00 C ATOM 287 O GLN A 18 5.815 -0.105 7.700 1.00 0.00 O ATOM 288 CB GLN A 18 5.799 -3.286 9.051 1.00 0.00 C ATOM 289 CG GLN A 18 7.233 -2.819 9.328 1.00 0.00 C ATOM 290 CD GLN A 18 7.739 -3.452 10.626 1.00 0.00 C ATOM 291 OE1 GLN A 18 7.241 -4.476 11.050 1.00 0.00 O ATOM 292 NE2 GLN A 18 8.714 -2.881 11.279 1.00 0.00 N ATOM 0 H GLN A 18 5.055 -4.183 6.990 1.00 0.00 H new ATOM 0 HA GLN A 18 4.271 -1.835 8.579 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.242 -3.329 9.987 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.817 -4.297 8.644 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.883 -3.097 8.499 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.263 -1.732 9.406 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.132 -2.021 10.923 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.058 -3.294 12.146 1.00 0.00 H new ATOM 301 N ASN A 19 6.939 -1.721 6.738 1.00 0.00 N ATOM 302 CA ASN A 19 7.842 -0.759 6.073 1.00 0.00 C ATOM 303 C ASN A 19 6.981 0.124 5.188 1.00 0.00 C ATOM 304 O ASN A 19 7.310 1.254 4.879 1.00 0.00 O ATOM 305 CB ASN A 19 8.798 -1.618 5.242 1.00 0.00 C ATOM 306 CG ASN A 19 10.240 -1.332 5.664 1.00 0.00 C ATOM 307 OD1 ASN A 19 10.481 -0.513 6.529 1.00 0.00 O ATOM 308 ND2 ASN A 19 11.217 -1.977 5.087 1.00 0.00 N ATOM 0 H ASN A 19 7.128 -2.704 6.542 1.00 0.00 H new ATOM 0 HA ASN A 19 8.402 -0.121 6.757 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.570 -2.675 5.383 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.669 -1.402 4.181 1.00 0.00 H new ATOM 0 HD21 ASN A 19 12.182 -1.794 5.362 1.00 0.00 H new ATOM 0 HD22 ASN A 19 11.016 -2.665 4.361 1.00 0.00 H new ATOM 315 N LEU A 20 5.854 -0.399 4.807 1.00 0.00 N ATOM 316 CA LEU A 20 4.911 0.373 3.962 1.00 0.00 C ATOM 317 C LEU A 20 3.932 1.122 4.853 1.00 0.00 C ATOM 318 O LEU A 20 3.246 2.028 4.422 1.00 0.00 O ATOM 319 CB LEU A 20 4.190 -0.667 3.103 1.00 0.00 C ATOM 320 CG LEU A 20 2.917 -0.055 2.517 1.00 0.00 C ATOM 321 CD1 LEU A 20 3.289 1.058 1.535 1.00 0.00 C ATOM 322 CD2 LEU A 20 2.125 -1.139 1.783 1.00 0.00 C ATOM 0 H LEU A 20 5.543 -1.340 5.048 1.00 0.00 H new ATOM 0 HA LEU A 20 5.413 1.114 3.340 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.844 -1.008 2.301 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.942 -1.541 3.705 1.00 0.00 H new ATOM 0 HG LEU A 20 2.309 0.360 3.321 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.381 1.494 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.855 1.830 2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.896 0.645 0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.217 -0.705 1.364 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.734 -1.553 0.979 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.859 -1.932 2.482 1.00 0.00 H new ATOM 334 N ASN A 21 3.902 0.786 6.110 1.00 0.00 N ATOM 335 CA ASN A 21 3.022 1.509 7.041 1.00 0.00 C ATOM 336 C ASN A 21 3.857 2.616 7.621 1.00 0.00 C ATOM 337 O ASN A 21 3.383 3.672 7.976 1.00 0.00 O ATOM 338 CB ASN A 21 2.623 0.506 8.117 1.00 0.00 C ATOM 339 CG ASN A 21 1.148 0.138 7.952 1.00 0.00 C ATOM 340 OD1 ASN A 21 0.586 0.292 6.886 1.00 0.00 O ATOM 341 ND2 ASN A 21 0.492 -0.347 8.971 1.00 0.00 N ATOM 0 H ASN A 21 4.455 0.037 6.527 1.00 0.00 H new ATOM 0 HA ASN A 21 2.126 1.924 6.580 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.242 -0.388 8.043 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.794 0.931 9.106 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.492 -0.597 8.872 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.963 -0.476 9.866 1.00 0.00 H new ATOM 348 N ASP A 22 5.127 2.366 7.683 1.00 0.00 N ATOM 349 CA ASP A 22 6.040 3.386 8.204 1.00 0.00 C ATOM 350 C ASP A 22 6.140 4.484 7.176 1.00 0.00 C ATOM 351 O ASP A 22 6.289 5.647 7.476 1.00 0.00 O ATOM 352 CB ASP A 22 7.383 2.688 8.418 1.00 0.00 C ATOM 353 CG ASP A 22 7.642 2.535 9.917 1.00 0.00 C ATOM 354 OD1 ASP A 22 7.549 3.530 10.618 1.00 0.00 O ATOM 355 OD2 ASP A 22 7.929 1.427 10.338 1.00 0.00 O ATOM 0 H ASP A 22 5.567 1.493 7.392 1.00 0.00 H new ATOM 0 HA ASP A 22 5.704 3.829 9.141 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.378 1.710 7.937 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.184 3.266 7.956 1.00 0.00 H new ATOM 360 N THR A 23 6.018 4.097 5.959 1.00 0.00 N ATOM 361 CA THR A 23 6.055 5.068 4.847 1.00 0.00 C ATOM 362 C THR A 23 4.703 5.761 4.746 1.00 0.00 C ATOM 363 O THR A 23 4.606 6.942 4.481 1.00 0.00 O ATOM 364 CB THR A 23 6.246 4.193 3.632 1.00 0.00 C ATOM 365 OG1 THR A 23 7.495 3.519 3.717 1.00 0.00 O ATOM 366 CG2 THR A 23 6.197 5.046 2.365 1.00 0.00 C ATOM 0 H THR A 23 5.891 3.126 5.674 1.00 0.00 H new ATOM 0 HA THR A 23 6.824 5.832 4.963 1.00 0.00 H new ATOM 0 HB THR A 23 5.445 3.455 3.592 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.415 2.759 4.330 1.00 0.00 H new ATOM 0 HG21 THR A 23 6.336 4.409 1.492 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.230 5.546 2.300 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.990 5.793 2.398 1.00 0.00 H new ATOM 374 N LEU A 24 3.655 5.012 4.951 1.00 0.00 N ATOM 375 CA LEU A 24 2.294 5.593 4.866 1.00 0.00 C ATOM 376 C LEU A 24 1.956 6.272 6.178 1.00 0.00 C ATOM 377 O LEU A 24 1.193 7.218 6.216 1.00 0.00 O ATOM 378 CB LEU A 24 1.363 4.407 4.611 1.00 0.00 C ATOM 379 CG LEU A 24 1.425 4.013 3.134 1.00 0.00 C ATOM 380 CD1 LEU A 24 0.707 2.677 2.932 1.00 0.00 C ATOM 381 CD2 LEU A 24 0.742 5.092 2.289 1.00 0.00 C ATOM 0 H LEU A 24 3.687 4.017 5.175 1.00 0.00 H new ATOM 0 HA LEU A 24 2.204 6.342 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.654 3.562 5.235 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.341 4.669 4.885 1.00 0.00 H new ATOM 0 HG LEU A 24 2.466 3.916 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.751 2.396 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.192 1.908 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.335 2.774 3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.786 4.812 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.299 5.189 2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.253 6.044 2.433 1.00 0.00 H new ATOM 393 N LEU A 25 2.527 5.824 7.260 1.00 0.00 N ATOM 394 CA LEU A 25 2.214 6.511 8.546 1.00 0.00 C ATOM 395 C LEU A 25 3.139 7.700 8.719 1.00 0.00 C ATOM 396 O LEU A 25 2.863 8.628 9.449 1.00 0.00 O ATOM 397 CB LEU A 25 2.381 5.475 9.641 1.00 0.00 C ATOM 398 CG LEU A 25 3.841 5.351 10.009 1.00 0.00 C ATOM 399 CD1 LEU A 25 4.226 6.468 10.981 1.00 0.00 C ATOM 400 CD2 LEU A 25 4.075 3.992 10.668 1.00 0.00 C ATOM 0 H LEU A 25 3.176 5.039 7.314 1.00 0.00 H new ATOM 0 HA LEU A 25 1.198 6.904 8.575 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.799 5.761 10.517 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.998 4.512 9.304 1.00 0.00 H new ATOM 0 HG LEU A 25 4.454 5.435 9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.280 6.375 11.244 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.054 7.436 10.510 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.619 6.391 11.883 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.127 3.894 10.937 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.462 3.913 11.566 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.803 3.198 9.972 1.00 0.00 H new ATOM 412 N GLU A 26 4.195 7.704 7.982 1.00 0.00 N ATOM 413 CA GLU A 26 5.113 8.863 8.005 1.00 0.00 C ATOM 414 C GLU A 26 4.646 9.771 6.898 1.00 0.00 C ATOM 415 O GLU A 26 4.837 10.971 6.911 1.00 0.00 O ATOM 416 CB GLU A 26 6.514 8.316 7.733 1.00 0.00 C ATOM 417 CG GLU A 26 7.023 7.570 8.970 1.00 0.00 C ATOM 418 CD GLU A 26 8.380 6.935 8.663 1.00 0.00 C ATOM 419 OE1 GLU A 26 9.191 7.591 8.030 1.00 0.00 O ATOM 420 OE2 GLU A 26 8.586 5.802 9.067 1.00 0.00 O ATOM 0 H GLU A 26 4.469 6.947 7.356 1.00 0.00 H new ATOM 0 HA GLU A 26 5.127 9.410 8.948 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.493 7.645 6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.192 9.132 7.483 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.114 8.258 9.810 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.308 6.801 9.263 1.00 0.00 H new ATOM 427 N LEU A 27 3.999 9.176 5.942 1.00 0.00 N ATOM 428 CA LEU A 27 3.462 9.946 4.818 1.00 0.00 C ATOM 429 C LEU A 27 2.366 10.869 5.336 1.00 0.00 C ATOM 430 O LEU A 27 2.151 11.949 4.829 1.00 0.00 O ATOM 431 CB LEU A 27 2.895 8.910 3.845 1.00 0.00 C ATOM 432 CG LEU A 27 1.964 9.593 2.843 1.00 0.00 C ATOM 433 CD1 LEU A 27 2.795 10.385 1.834 1.00 0.00 C ATOM 434 CD2 LEU A 27 1.148 8.531 2.105 1.00 0.00 C ATOM 0 H LEU A 27 3.822 8.172 5.900 1.00 0.00 H new ATOM 0 HA LEU A 27 4.213 10.566 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.708 8.410 3.318 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.351 8.141 4.394 1.00 0.00 H new ATOM 0 HG LEU A 27 1.292 10.269 3.372 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.132 10.872 1.119 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.381 11.140 2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.465 9.708 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.483 9.015 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.822 7.857 1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.557 7.963 2.823 1.00 0.00 H new ATOM 446 N GLU A 28 1.678 10.454 6.360 1.00 0.00 N ATOM 447 CA GLU A 28 0.615 11.321 6.924 1.00 0.00 C ATOM 448 C GLU A 28 1.269 12.565 7.518 1.00 0.00 C ATOM 449 O GLU A 28 0.803 13.674 7.344 1.00 0.00 O ATOM 450 CB GLU A 28 -0.052 10.460 7.989 1.00 0.00 C ATOM 451 CG GLU A 28 0.646 10.634 9.335 1.00 0.00 C ATOM 452 CD GLU A 28 -0.056 9.779 10.391 1.00 0.00 C ATOM 453 OE1 GLU A 28 -0.150 8.580 10.188 1.00 0.00 O ATOM 454 OE2 GLU A 28 -0.488 10.338 11.387 1.00 0.00 O ATOM 0 H GLU A 28 1.806 9.557 6.828 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.116 11.666 6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.103 10.734 8.080 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.021 9.412 7.690 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.693 10.342 9.254 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.630 11.683 9.632 1.00 0.00 H new ATOM 461 N LYS A 29 2.379 12.386 8.180 1.00 0.00 N ATOM 462 CA LYS A 29 3.098 13.560 8.737 1.00 0.00 C ATOM 463 C LYS A 29 3.862 14.210 7.599 1.00 0.00 C ATOM 464 O LYS A 29 4.303 15.340 7.678 1.00 0.00 O ATOM 465 CB LYS A 29 4.071 13.020 9.787 1.00 0.00 C ATOM 466 CG LYS A 29 3.339 12.092 10.749 1.00 0.00 C ATOM 467 CD LYS A 29 4.266 10.944 11.135 1.00 0.00 C ATOM 468 CE LYS A 29 3.439 9.776 11.674 1.00 0.00 C ATOM 469 NZ LYS A 29 3.329 10.026 13.138 1.00 0.00 N ATOM 0 H LYS A 29 2.815 11.481 8.357 1.00 0.00 H new ATOM 0 HA LYS A 29 2.427 14.292 9.186 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.884 12.483 9.299 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.520 13.847 10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.029 12.641 11.638 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.434 11.704 10.282 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.845 10.624 10.269 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.979 11.277 11.889 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.456 9.739 11.205 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.925 8.822 11.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.774 9.265 13.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.280 10.050 13.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.856 10.938 13.300 1.00 0.00 H new ATOM 483 N ASN A 30 3.992 13.488 6.528 1.00 0.00 N ATOM 484 CA ASN A 30 4.701 14.028 5.335 1.00 0.00 C ATOM 485 C ASN A 30 4.056 13.459 4.094 1.00 0.00 C ATOM 486 O ASN A 30 4.553 12.542 3.471 1.00 0.00 O ATOM 487 CB ASN A 30 6.161 13.594 5.468 1.00 0.00 C ATOM 488 CG ASN A 30 6.693 14.001 6.844 1.00 0.00 C ATOM 489 OD1 ASN A 30 6.822 15.268 7.132 1.00 0.00 O flip ATOM 490 ND2 ASN A 30 6.994 13.158 7.665 1.00 0.00 N flip ATOM 0 H ASN A 30 3.635 12.538 6.424 1.00 0.00 H new ATOM 0 HA ASN A 30 4.646 15.114 5.265 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.243 12.515 5.339 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.761 14.055 4.684 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.893 12.168 7.440 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.347 13.440 8.579 1.00 0.00 H new ATOM 497 N PRO A 31 2.926 14.018 3.817 1.00 0.00 N ATOM 498 CA PRO A 31 2.112 13.581 2.681 1.00 0.00 C ATOM 499 C PRO A 31 2.498 14.317 1.398 1.00 0.00 C ATOM 500 O PRO A 31 1.820 14.226 0.394 1.00 0.00 O ATOM 501 CB PRO A 31 0.717 13.967 3.127 1.00 0.00 C ATOM 502 CG PRO A 31 0.876 15.106 4.084 1.00 0.00 C ATOM 503 CD PRO A 31 2.297 15.112 4.558 1.00 0.00 C ATOM 0 HA PRO A 31 2.227 12.523 2.445 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.104 14.260 2.274 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.216 13.125 3.606 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.632 16.050 3.598 1.00 0.00 H new ATOM 0 HG3 PRO A 31 0.193 14.995 4.926 1.00 0.00 H new ATOM 0 HD2 PRO A 31 2.783 16.065 4.350 1.00 0.00 H new ATOM 0 HD3 PRO A 31 2.359 14.951 5.634 1.00 0.00 H new ATOM 511 N GLU A 32 3.574 15.042 1.420 1.00 0.00 N ATOM 512 CA GLU A 32 3.991 15.782 0.194 1.00 0.00 C ATOM 513 C GLU A 32 5.500 15.654 -0.002 1.00 0.00 C ATOM 514 O GLU A 32 6.067 16.207 -0.923 1.00 0.00 O ATOM 515 CB GLU A 32 3.597 17.256 0.411 1.00 0.00 C ATOM 516 CG GLU A 32 2.987 17.458 1.806 1.00 0.00 C ATOM 517 CD GLU A 32 2.952 18.950 2.145 1.00 0.00 C ATOM 518 OE1 GLU A 32 3.181 19.748 1.251 1.00 0.00 O ATOM 519 OE2 GLU A 32 2.694 19.269 3.295 1.00 0.00 O ATOM 0 H GLU A 32 4.185 15.157 2.229 1.00 0.00 H new ATOM 0 HA GLU A 32 3.508 15.380 -0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.475 17.892 0.297 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.881 17.562 -0.352 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.979 17.045 1.835 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.573 16.920 2.551 1.00 0.00 H new ATOM 526 N ASP A 33 6.153 14.923 0.854 1.00 0.00 N ATOM 527 CA ASP A 33 7.623 14.753 0.713 1.00 0.00 C ATOM 528 C ASP A 33 7.940 14.081 -0.617 1.00 0.00 C ATOM 529 O ASP A 33 9.049 14.127 -1.111 1.00 0.00 O ATOM 530 CB ASP A 33 8.045 13.864 1.885 1.00 0.00 C ATOM 531 CG ASP A 33 7.076 12.686 2.010 1.00 0.00 C ATOM 532 OD1 ASP A 33 6.601 12.222 0.985 1.00 0.00 O ATOM 533 OD2 ASP A 33 6.826 12.270 3.127 1.00 0.00 O ATOM 0 H ASP A 33 5.732 14.436 1.645 1.00 0.00 H new ATOM 0 HA ASP A 33 8.153 15.705 0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.060 13.498 1.730 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.052 14.442 2.809 1.00 0.00 H new ATOM 538 N MET A 34 6.961 13.442 -1.180 1.00 0.00 N ATOM 539 CA MET A 34 7.146 12.730 -2.475 1.00 0.00 C ATOM 540 C MET A 34 8.099 11.553 -2.290 1.00 0.00 C ATOM 541 O MET A 34 8.416 10.845 -3.224 1.00 0.00 O ATOM 542 CB MET A 34 7.722 13.763 -3.447 1.00 0.00 C ATOM 543 CG MET A 34 6.616 14.249 -4.386 1.00 0.00 C ATOM 544 SD MET A 34 6.401 13.062 -5.735 1.00 0.00 S ATOM 545 CE MET A 34 5.194 14.019 -6.683 1.00 0.00 C ATOM 0 H MET A 34 6.020 13.380 -0.792 1.00 0.00 H new ATOM 0 HA MET A 34 6.209 12.322 -2.855 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.141 14.604 -2.895 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.536 13.323 -4.023 1.00 0.00 H new ATOM 0 HG2 MET A 34 5.682 14.363 -3.836 1.00 0.00 H new ATOM 0 HG3 MET A 34 6.871 15.230 -4.788 1.00 0.00 H new ATOM 0 HE1 MET A 34 5.007 13.526 -7.637 1.00 0.00 H new ATOM 0 HE2 MET A 34 4.263 14.088 -6.121 1.00 0.00 H new ATOM 0 HE3 MET A 34 5.585 15.021 -6.863 1.00 0.00 H new ATOM 555 N GLU A 35 8.526 11.312 -1.084 1.00 0.00 N ATOM 556 CA GLU A 35 9.414 10.157 -0.838 1.00 0.00 C ATOM 557 C GLU A 35 8.565 9.068 -0.210 1.00 0.00 C ATOM 558 O GLU A 35 8.631 7.914 -0.582 1.00 0.00 O ATOM 559 CB GLU A 35 10.493 10.654 0.126 1.00 0.00 C ATOM 560 CG GLU A 35 9.874 10.947 1.492 1.00 0.00 C ATOM 561 CD GLU A 35 10.936 11.547 2.416 1.00 0.00 C ATOM 562 OE1 GLU A 35 12.105 11.267 2.205 1.00 0.00 O ATOM 563 OE2 GLU A 35 10.563 12.278 3.319 1.00 0.00 O ATOM 0 H GLU A 35 8.295 11.868 -0.261 1.00 0.00 H new ATOM 0 HA GLU A 35 9.881 9.758 -1.738 1.00 0.00 H new ATOM 0 HB2 GLU A 35 11.277 9.904 0.226 1.00 0.00 H new ATOM 0 HB3 GLU A 35 10.962 11.554 -0.271 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.038 11.639 1.384 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.475 10.030 1.926 1.00 0.00 H new ATOM 570 N LEU A 36 7.723 9.445 0.710 1.00 0.00 N ATOM 571 CA LEU A 36 6.820 8.438 1.322 1.00 0.00 C ATOM 572 C LEU A 36 5.741 8.100 0.301 1.00 0.00 C ATOM 573 O LEU A 36 5.163 7.031 0.317 1.00 0.00 O ATOM 574 CB LEU A 36 6.207 9.106 2.556 1.00 0.00 C ATOM 575 CG LEU A 36 7.309 9.518 3.533 1.00 0.00 C ATOM 576 CD1 LEU A 36 6.699 9.776 4.911 1.00 0.00 C ATOM 577 CD2 LEU A 36 8.356 8.404 3.643 1.00 0.00 C ATOM 0 H LEU A 36 7.623 10.398 1.061 1.00 0.00 H new ATOM 0 HA LEU A 36 7.334 7.520 1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.630 9.981 2.257 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.515 8.420 3.044 1.00 0.00 H new ATOM 0 HG LEU A 36 7.788 10.426 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.484 10.070 5.607 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.961 10.575 4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.216 8.868 5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.137 8.706 4.341 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.880 7.492 4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.796 8.221 2.663 1.00 0.00 H new ATOM 589 N ILE A 37 5.484 9.003 -0.612 1.00 0.00 N ATOM 590 CA ILE A 37 4.465 8.726 -1.655 1.00 0.00 C ATOM 591 C ILE A 37 5.066 7.773 -2.685 1.00 0.00 C ATOM 592 O ILE A 37 4.384 6.938 -3.247 1.00 0.00 O ATOM 593 CB ILE A 37 4.149 10.083 -2.284 1.00 0.00 C ATOM 594 CG1 ILE A 37 3.364 10.936 -1.284 1.00 0.00 C ATOM 595 CG2 ILE A 37 3.307 9.880 -3.546 1.00 0.00 C ATOM 596 CD1 ILE A 37 3.012 12.280 -1.923 1.00 0.00 C ATOM 0 H ILE A 37 5.937 9.915 -0.676 1.00 0.00 H new ATOM 0 HA ILE A 37 3.562 8.261 -1.259 1.00 0.00 H new ATOM 0 HB ILE A 37 5.080 10.587 -2.545 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.455 10.416 -0.982 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.955 11.094 -0.382 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.083 10.848 -3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 37 3.862 9.271 -4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 37 2.376 9.376 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE A 37 2.453 12.886 -1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.928 12.801 -2.203 1.00 0.00 H new ATOM 0 HD13 ILE A 37 2.404 12.112 -2.812 1.00 0.00 H new ATOM 608 N ASN A 38 6.348 7.881 -2.928 1.00 0.00 N ATOM 609 CA ASN A 38 6.991 6.966 -3.911 1.00 0.00 C ATOM 610 C ASN A 38 7.508 5.729 -3.192 1.00 0.00 C ATOM 611 O ASN A 38 7.623 4.661 -3.760 1.00 0.00 O ATOM 612 CB ASN A 38 8.141 7.766 -4.527 1.00 0.00 C ATOM 613 CG ASN A 38 8.021 7.743 -6.052 1.00 0.00 C ATOM 614 OD1 ASN A 38 6.935 7.839 -6.590 1.00 0.00 O ATOM 615 ND2 ASN A 38 9.099 7.620 -6.778 1.00 0.00 N ATOM 0 H ASN A 38 6.971 8.559 -2.490 1.00 0.00 H new ATOM 0 HA ASN A 38 6.297 6.625 -4.679 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.117 8.794 -4.165 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.097 7.342 -4.221 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.030 7.605 -7.796 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.011 7.539 -6.328 1.00 0.00 H new ATOM 622 N GLU A 39 7.794 5.865 -1.935 1.00 0.00 N ATOM 623 CA GLU A 39 8.277 4.695 -1.154 1.00 0.00 C ATOM 624 C GLU A 39 7.106 3.756 -0.936 1.00 0.00 C ATOM 625 O GLU A 39 7.248 2.553 -0.838 1.00 0.00 O ATOM 626 CB GLU A 39 8.774 5.265 0.176 1.00 0.00 C ATOM 627 CG GLU A 39 10.243 5.661 0.042 1.00 0.00 C ATOM 628 CD GLU A 39 10.953 5.447 1.380 1.00 0.00 C ATOM 629 OE1 GLU A 39 10.277 5.117 2.341 1.00 0.00 O ATOM 630 OE2 GLU A 39 12.161 5.616 1.421 1.00 0.00 O ATOM 0 H GLU A 39 7.715 6.736 -1.410 1.00 0.00 H new ATOM 0 HA GLU A 39 9.070 4.140 -1.655 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.177 6.132 0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 39 8.656 4.525 0.968 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.722 5.065 -0.735 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.323 6.705 -0.262 1.00 0.00 H new ATOM 637 N ALA A 40 5.945 4.321 -0.887 1.00 0.00 N ATOM 638 CA ALA A 40 4.712 3.514 -0.706 1.00 0.00 C ATOM 639 C ALA A 40 4.157 3.125 -2.079 1.00 0.00 C ATOM 640 O ALA A 40 3.902 1.968 -2.348 1.00 0.00 O ATOM 641 CB ALA A 40 3.742 4.430 0.037 1.00 0.00 C ATOM 0 H ALA A 40 5.790 5.326 -0.966 1.00 0.00 H new ATOM 0 HA ALA A 40 4.886 2.591 -0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.803 3.903 0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.176 4.720 0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.554 5.322 -0.561 1.00 0.00 H new ATOM 647 N PHE A 41 3.983 4.080 -2.962 1.00 0.00 N ATOM 648 CA PHE A 41 3.462 3.745 -4.315 1.00 0.00 C ATOM 649 C PHE A 41 4.266 2.578 -4.896 1.00 0.00 C ATOM 650 O PHE A 41 3.765 1.785 -5.669 1.00 0.00 O ATOM 651 CB PHE A 41 3.670 5.011 -5.147 1.00 0.00 C ATOM 652 CG PHE A 41 3.530 4.681 -6.614 1.00 0.00 C ATOM 653 CD1 PHE A 41 4.619 4.152 -7.316 1.00 0.00 C ATOM 654 CD2 PHE A 41 2.313 4.901 -7.269 1.00 0.00 C ATOM 655 CE1 PHE A 41 4.491 3.844 -8.676 1.00 0.00 C ATOM 656 CE2 PHE A 41 2.186 4.593 -8.629 1.00 0.00 C ATOM 657 CZ PHE A 41 3.275 4.064 -9.332 1.00 0.00 C ATOM 0 H PHE A 41 4.179 5.068 -2.801 1.00 0.00 H new ATOM 0 HA PHE A 41 2.415 3.443 -4.300 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.940 5.769 -4.863 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.657 5.430 -4.950 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.557 3.981 -6.809 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.473 5.308 -6.726 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.331 3.437 -9.219 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.248 4.764 -9.136 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.176 3.826 -10.381 1.00 0.00 H new ATOM 667 N ARG A 42 5.510 2.463 -4.514 1.00 0.00 N ATOM 668 CA ARG A 42 6.354 1.344 -5.028 1.00 0.00 C ATOM 669 C ARG A 42 6.045 0.064 -4.246 1.00 0.00 C ATOM 670 O ARG A 42 5.491 -0.881 -4.772 1.00 0.00 O ATOM 671 CB ARG A 42 7.796 1.784 -4.773 1.00 0.00 C ATOM 672 CG ARG A 42 8.215 2.814 -5.824 1.00 0.00 C ATOM 673 CD ARG A 42 9.667 3.230 -5.577 1.00 0.00 C ATOM 674 NE ARG A 42 10.010 4.132 -6.710 1.00 0.00 N ATOM 675 CZ ARG A 42 11.059 3.884 -7.447 1.00 0.00 C ATOM 676 NH1 ARG A 42 11.222 2.702 -7.976 1.00 0.00 N ATOM 677 NH2 ARG A 42 11.947 4.818 -7.653 1.00 0.00 N ATOM 0 H ARG A 42 5.979 3.097 -3.867 1.00 0.00 H new ATOM 0 HA ARG A 42 6.172 1.136 -6.082 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.884 2.212 -3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.461 0.921 -4.810 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.111 2.393 -6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.562 3.686 -5.776 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.773 3.741 -4.620 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.326 2.363 -5.550 1.00 0.00 H new ATOM 0 HE ARG A 42 9.426 4.944 -6.911 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.530 1.971 -7.814 1.00 0.00 H new ATOM 0 HH12 ARG A 42 12.042 2.509 -8.552 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.822 5.741 -7.238 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.767 4.625 -8.229 1.00 0.00 H new ATOM 691 N ALA A 43 6.396 0.033 -2.989 1.00 0.00 N ATOM 692 CA ALA A 43 6.119 -1.179 -2.167 1.00 0.00 C ATOM 693 C ALA A 43 4.708 -1.688 -2.443 1.00 0.00 C ATOM 694 O ALA A 43 4.497 -2.865 -2.635 1.00 0.00 O ATOM 695 CB ALA A 43 6.248 -0.712 -0.718 1.00 0.00 C ATOM 0 H ALA A 43 6.862 0.794 -2.496 1.00 0.00 H new ATOM 0 HA ALA A 43 6.802 -1.998 -2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.058 -1.550 -0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 43 7.255 -0.331 -0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.523 0.079 -0.525 1.00 0.00 H new ATOM 701 N LEU A 44 3.742 -0.813 -2.481 1.00 0.00 N ATOM 702 CA LEU A 44 2.351 -1.266 -2.758 1.00 0.00 C ATOM 703 C LEU A 44 2.290 -1.862 -4.161 1.00 0.00 C ATOM 704 O LEU A 44 1.612 -2.840 -4.406 1.00 0.00 O ATOM 705 CB LEU A 44 1.493 -0.006 -2.657 1.00 0.00 C ATOM 706 CG LEU A 44 1.265 0.330 -1.183 1.00 0.00 C ATOM 707 CD1 LEU A 44 1.082 1.839 -1.025 1.00 0.00 C ATOM 708 CD2 LEU A 44 0.011 -0.391 -0.684 1.00 0.00 C ATOM 0 H LEU A 44 3.854 0.190 -2.333 1.00 0.00 H new ATOM 0 HA LEU A 44 2.006 -2.033 -2.065 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.986 0.826 -3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.538 -0.161 -3.159 1.00 0.00 H new ATOM 0 HG LEU A 44 2.127 0.007 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.919 2.078 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.975 2.353 -1.380 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.220 2.164 -1.608 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.152 -0.152 0.367 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.851 -0.068 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.142 -1.467 -0.795 1.00 0.00 H new ATOM 720 N HIS A 45 3.019 -1.293 -5.077 1.00 0.00 N ATOM 721 CA HIS A 45 3.033 -1.837 -6.458 1.00 0.00 C ATOM 722 C HIS A 45 3.757 -3.180 -6.438 1.00 0.00 C ATOM 723 O HIS A 45 3.424 -4.097 -7.163 1.00 0.00 O ATOM 724 CB HIS A 45 3.810 -0.808 -7.276 1.00 0.00 C ATOM 725 CG HIS A 45 3.594 -1.066 -8.741 1.00 0.00 C ATOM 726 ND1 HIS A 45 2.722 -0.305 -9.504 1.00 0.00 N ATOM 727 CD2 HIS A 45 4.125 -1.998 -9.596 1.00 0.00 C ATOM 728 CE1 HIS A 45 2.752 -0.792 -10.758 1.00 0.00 C ATOM 729 NE2 HIS A 45 3.592 -1.824 -10.869 1.00 0.00 N ATOM 0 H HIS A 45 3.607 -0.473 -4.927 1.00 0.00 H new ATOM 0 HA HIS A 45 2.039 -2.001 -6.874 1.00 0.00 H new ATOM 0 HB2 HIS A 45 3.481 0.199 -7.021 1.00 0.00 H new ATOM 0 HB3 HIS A 45 4.872 -0.866 -7.038 1.00 0.00 H new ATOM 0 HD2 HIS A 45 4.847 -2.753 -9.322 1.00 0.00 H new ATOM 0 HE1 HIS A 45 2.168 -0.396 -11.575 1.00 0.00 H new ATOM 0 HE2 HIS A 45 3.798 -2.368 -11.707 1.00 0.00 H new ATOM 737 N THR A 46 4.733 -3.301 -5.581 1.00 0.00 N ATOM 738 CA THR A 46 5.478 -4.582 -5.466 1.00 0.00 C ATOM 739 C THR A 46 4.658 -5.542 -4.595 1.00 0.00 C ATOM 740 O THR A 46 4.617 -6.734 -4.829 1.00 0.00 O ATOM 741 CB THR A 46 6.811 -4.190 -4.802 1.00 0.00 C ATOM 742 OG1 THR A 46 7.825 -4.132 -5.793 1.00 0.00 O ATOM 743 CG2 THR A 46 7.211 -5.210 -3.730 1.00 0.00 C ATOM 0 H THR A 46 5.047 -2.562 -4.952 1.00 0.00 H new ATOM 0 HA THR A 46 5.653 -5.087 -6.416 1.00 0.00 H new ATOM 0 HB THR A 46 6.689 -3.217 -4.326 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.676 -3.881 -5.376 1.00 0.00 H new ATOM 0 HG21 THR A 46 8.156 -4.910 -3.277 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.438 -5.254 -2.963 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.324 -6.193 -4.187 1.00 0.00 H new ATOM 751 N LEU A 47 3.995 -5.017 -3.601 1.00 0.00 N ATOM 752 CA LEU A 47 3.161 -5.873 -2.717 1.00 0.00 C ATOM 753 C LEU A 47 1.946 -6.370 -3.502 1.00 0.00 C ATOM 754 O LEU A 47 1.502 -7.490 -3.339 1.00 0.00 O ATOM 755 CB LEU A 47 2.733 -4.953 -1.573 1.00 0.00 C ATOM 756 CG LEU A 47 3.529 -5.299 -0.316 1.00 0.00 C ATOM 757 CD1 LEU A 47 3.395 -4.166 0.704 1.00 0.00 C ATOM 758 CD2 LEU A 47 2.984 -6.596 0.288 1.00 0.00 C ATOM 0 H LEU A 47 3.997 -4.025 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 47 3.690 -6.751 -2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.901 -3.912 -1.847 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.666 -5.064 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 47 4.580 -5.429 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.963 -4.414 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.781 -3.242 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.345 -4.034 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.550 -6.846 1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.934 -6.464 0.547 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.080 -7.404 -0.438 1.00 0.00 H new ATOM 770 N LYS A 48 1.415 -5.545 -4.365 1.00 0.00 N ATOM 771 CA LYS A 48 0.243 -5.964 -5.177 1.00 0.00 C ATOM 772 C LYS A 48 0.654 -7.104 -6.113 1.00 0.00 C ATOM 773 O LYS A 48 -0.032 -8.100 -6.241 1.00 0.00 O ATOM 774 CB LYS A 48 -0.130 -4.712 -5.972 1.00 0.00 C ATOM 775 CG LYS A 48 -0.951 -5.089 -7.205 1.00 0.00 C ATOM 776 CD LYS A 48 -1.067 -3.865 -8.108 1.00 0.00 C ATOM 777 CE LYS A 48 0.092 -3.855 -9.104 1.00 0.00 C ATOM 778 NZ LYS A 48 -0.237 -4.918 -10.092 1.00 0.00 N ATOM 0 H LYS A 48 1.746 -4.596 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.591 -6.329 -4.577 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.701 -4.030 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.774 -4.184 -6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.474 -5.910 -7.740 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.941 -5.435 -6.908 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.018 -3.881 -8.640 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.053 -2.955 -7.508 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.188 -2.883 -9.588 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.041 -4.058 -8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.505 -5.646 -10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.151 -5.350 -9.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.296 -4.502 -11.043 1.00 0.00 H new ATOM 792 N GLY A 49 1.776 -6.962 -6.764 1.00 0.00 N ATOM 793 CA GLY A 49 2.243 -8.030 -7.689 1.00 0.00 C ATOM 794 C GLY A 49 2.454 -9.323 -6.902 1.00 0.00 C ATOM 795 O GLY A 49 2.016 -10.382 -7.302 1.00 0.00 O ATOM 0 H GLY A 49 2.390 -6.150 -6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.510 -8.188 -8.480 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.173 -7.728 -8.171 1.00 0.00 H new ATOM 799 N MET A 50 3.119 -9.245 -5.782 1.00 0.00 N ATOM 800 CA MET A 50 3.351 -10.475 -4.971 1.00 0.00 C ATOM 801 C MET A 50 2.011 -11.069 -4.530 1.00 0.00 C ATOM 802 O MET A 50 1.923 -12.226 -4.169 1.00 0.00 O ATOM 803 CB MET A 50 4.160 -10.007 -3.762 1.00 0.00 C ATOM 804 CG MET A 50 5.583 -9.658 -4.204 1.00 0.00 C ATOM 805 SD MET A 50 6.680 -9.670 -2.766 1.00 0.00 S ATOM 806 CE MET A 50 5.572 -8.800 -1.632 1.00 0.00 C ATOM 0 H MET A 50 3.511 -8.387 -5.394 1.00 0.00 H new ATOM 0 HA MET A 50 3.875 -11.251 -5.530 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.685 -9.137 -3.308 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.185 -10.789 -3.003 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.931 -10.376 -4.947 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.598 -8.677 -4.678 1.00 0.00 H new ATOM 0 HE1 MET A 50 6.135 -8.459 -0.763 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.132 -7.942 -2.140 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.780 -9.475 -1.308 1.00 0.00 H new ATOM 816 N ALA A 51 0.964 -10.289 -4.568 1.00 0.00 N ATOM 817 CA ALA A 51 -0.371 -10.812 -4.163 1.00 0.00 C ATOM 818 C ALA A 51 -1.075 -11.414 -5.379 1.00 0.00 C ATOM 819 O ALA A 51 -2.051 -12.126 -5.259 1.00 0.00 O ATOM 820 CB ALA A 51 -1.136 -9.595 -3.644 1.00 0.00 C ATOM 0 H ALA A 51 0.976 -9.312 -4.862 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.303 -11.595 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.133 -9.900 -3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.601 -9.163 -2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.220 -8.853 -4.438 1.00 0.00 H new ATOM 826 N GLY A 52 -0.568 -11.143 -6.548 1.00 0.00 N ATOM 827 CA GLY A 52 -1.185 -11.705 -7.779 1.00 0.00 C ATOM 828 C GLY A 52 -0.520 -13.045 -8.080 1.00 0.00 C ATOM 829 O GLY A 52 -1.138 -13.964 -8.580 1.00 0.00 O ATOM 0 H GLY A 52 0.250 -10.554 -6.704 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.258 -11.837 -7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.054 -11.020 -8.616 1.00 0.00 H new ATOM 871 N PHE A 56 -3.841 -14.607 -4.819 1.00 0.00 N ATOM 872 CA PHE A 56 -4.736 -13.762 -3.977 1.00 0.00 C ATOM 873 C PHE A 56 -4.882 -12.366 -4.593 1.00 0.00 C ATOM 874 O PHE A 56 -4.426 -11.386 -4.040 1.00 0.00 O ATOM 875 CB PHE A 56 -4.039 -13.672 -2.617 1.00 0.00 C ATOM 876 CG PHE A 56 -3.768 -15.058 -2.075 1.00 0.00 C ATOM 877 CD1 PHE A 56 -4.457 -16.168 -2.587 1.00 0.00 C ATOM 878 CD2 PHE A 56 -2.826 -15.233 -1.054 1.00 0.00 C ATOM 879 CE1 PHE A 56 -4.203 -17.447 -2.076 1.00 0.00 C ATOM 880 CE2 PHE A 56 -2.573 -16.512 -0.544 1.00 0.00 C ATOM 881 CZ PHE A 56 -3.260 -17.618 -1.055 1.00 0.00 C ATOM 0 HA PHE A 56 -5.738 -14.183 -3.895 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.103 -13.123 -2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.662 -13.116 -1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.183 -16.036 -3.375 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.294 -14.380 -0.659 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -4.734 -18.301 -2.469 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.847 -16.645 0.244 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.063 -18.604 -0.662 1.00 0.00 H new ATOM 891 N SER A 57 -5.515 -12.265 -5.731 1.00 0.00 N ATOM 892 CA SER A 57 -5.682 -10.926 -6.365 1.00 0.00 C ATOM 893 C SER A 57 -6.645 -10.079 -5.544 1.00 0.00 C ATOM 894 O SER A 57 -6.592 -8.865 -5.553 1.00 0.00 O ATOM 895 CB SER A 57 -6.256 -11.198 -7.753 1.00 0.00 C ATOM 896 OG SER A 57 -5.216 -11.653 -8.609 1.00 0.00 O ATOM 0 H SER A 57 -5.921 -13.046 -6.246 1.00 0.00 H new ATOM 0 HA SER A 57 -4.741 -10.380 -6.423 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.047 -11.946 -7.692 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.706 -10.291 -8.158 1.00 0.00 H new ATOM 0 HG SER A 57 -5.581 -11.831 -9.501 1.00 0.00 H new ATOM 902 N SER A 58 -7.504 -10.720 -4.819 1.00 0.00 N ATOM 903 CA SER A 58 -8.469 -9.978 -3.968 1.00 0.00 C ATOM 904 C SER A 58 -7.683 -9.127 -2.984 1.00 0.00 C ATOM 905 O SER A 58 -8.099 -8.056 -2.591 1.00 0.00 O ATOM 906 CB SER A 58 -9.270 -11.052 -3.233 1.00 0.00 C ATOM 907 OG SER A 58 -9.533 -12.134 -4.118 1.00 0.00 O ATOM 0 H SER A 58 -7.583 -11.736 -4.776 1.00 0.00 H new ATOM 0 HA SER A 58 -9.127 -9.320 -4.536 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.714 -11.405 -2.364 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.206 -10.634 -2.864 1.00 0.00 H new ATOM 0 HG SER A 58 -9.448 -12.981 -3.633 1.00 0.00 H new ATOM 913 N MET A 59 -6.531 -9.598 -2.602 1.00 0.00 N ATOM 914 CA MET A 59 -5.687 -8.824 -1.662 1.00 0.00 C ATOM 915 C MET A 59 -4.692 -7.984 -2.459 1.00 0.00 C ATOM 916 O MET A 59 -4.159 -7.003 -1.977 1.00 0.00 O ATOM 917 CB MET A 59 -4.969 -9.872 -0.810 1.00 0.00 C ATOM 918 CG MET A 59 -3.935 -9.183 0.082 1.00 0.00 C ATOM 919 SD MET A 59 -2.608 -10.349 0.479 1.00 0.00 S ATOM 920 CE MET A 59 -2.173 -10.777 -1.223 1.00 0.00 C ATOM 0 H MET A 59 -6.139 -10.490 -2.903 1.00 0.00 H new ATOM 0 HA MET A 59 -6.261 -8.139 -1.038 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.690 -10.414 -0.198 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.480 -10.605 -1.452 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.526 -8.309 -0.425 1.00 0.00 H new ATOM 0 HG3 MET A 59 -4.408 -8.828 0.998 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.524 -11.785 -1.446 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.642 -10.070 -1.907 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.090 -10.735 -1.343 1.00 0.00 H new ATOM 930 N ALA A 60 -4.452 -8.349 -3.693 1.00 0.00 N ATOM 931 CA ALA A 60 -3.510 -7.557 -4.527 1.00 0.00 C ATOM 932 C ALA A 60 -4.218 -6.304 -5.023 1.00 0.00 C ATOM 933 O ALA A 60 -3.627 -5.249 -5.146 1.00 0.00 O ATOM 934 CB ALA A 60 -3.136 -8.472 -5.694 1.00 0.00 C ATOM 0 H ALA A 60 -4.868 -9.158 -4.154 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.624 -7.237 -3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.441 -7.954 -6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.665 -9.377 -5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -4.035 -8.738 -6.250 1.00 0.00 H new ATOM 940 N LYS A 61 -5.494 -6.400 -5.276 1.00 0.00 N ATOM 941 CA LYS A 61 -6.243 -5.201 -5.724 1.00 0.00 C ATOM 942 C LYS A 61 -6.168 -4.166 -4.610 1.00 0.00 C ATOM 943 O LYS A 61 -6.140 -2.973 -4.840 1.00 0.00 O ATOM 944 CB LYS A 61 -7.676 -5.685 -5.934 1.00 0.00 C ATOM 945 CG LYS A 61 -7.732 -6.599 -7.157 1.00 0.00 C ATOM 946 CD LYS A 61 -8.704 -7.745 -6.879 1.00 0.00 C ATOM 947 CE LYS A 61 -10.138 -7.219 -6.938 1.00 0.00 C ATOM 948 NZ LYS A 61 -10.944 -8.348 -7.482 1.00 0.00 N ATOM 0 H LYS A 61 -6.045 -7.254 -5.191 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.852 -4.748 -6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.023 -6.221 -5.050 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -8.342 -4.833 -6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.055 -6.036 -8.033 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.740 -6.992 -7.378 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.566 -8.540 -7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.503 -8.177 -5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.490 -6.923 -5.950 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.209 -6.340 -7.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.941 -8.061 -7.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.591 -8.603 -8.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.863 -9.169 -6.849 1.00 0.00 H new ATOM 962 N LEU A 62 -6.105 -4.635 -3.395 1.00 0.00 N ATOM 963 CA LEU A 62 -5.992 -3.713 -2.238 1.00 0.00 C ATOM 964 C LEU A 62 -4.633 -3.028 -2.293 1.00 0.00 C ATOM 965 O LEU A 62 -4.493 -1.858 -1.998 1.00 0.00 O ATOM 966 CB LEU A 62 -6.084 -4.615 -1.010 1.00 0.00 C ATOM 967 CG LEU A 62 -7.499 -5.174 -0.899 1.00 0.00 C ATOM 968 CD1 LEU A 62 -7.496 -6.396 0.022 1.00 0.00 C ATOM 969 CD2 LEU A 62 -8.423 -4.102 -0.321 1.00 0.00 C ATOM 0 H LEU A 62 -6.127 -5.626 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.759 -2.939 -2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.364 -5.430 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.832 -4.052 -0.111 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.853 -5.467 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.507 -6.795 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.836 -7.160 -0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -7.143 -6.105 1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.435 -4.499 -0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -8.068 -3.810 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.426 -3.232 -0.977 1.00 0.00 H new ATOM 981 N CYS A 63 -3.630 -3.760 -2.689 1.00 0.00 N ATOM 982 CA CYS A 63 -2.270 -3.168 -2.788 1.00 0.00 C ATOM 983 C CYS A 63 -2.244 -2.166 -3.943 1.00 0.00 C ATOM 984 O CYS A 63 -1.575 -1.153 -3.891 1.00 0.00 O ATOM 985 CB CYS A 63 -1.341 -4.350 -3.070 1.00 0.00 C ATOM 986 SG CYS A 63 -1.353 -5.479 -1.656 1.00 0.00 S ATOM 0 H CYS A 63 -3.695 -4.744 -2.949 1.00 0.00 H new ATOM 0 HA CYS A 63 -1.970 -2.635 -1.886 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -1.664 -4.874 -3.970 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -0.328 -3.994 -3.256 1.00 0.00 H new ATOM 0 HG CYS A 63 -2.454 -6.170 -1.661 1.00 0.00 H new ATOM 992 N HIS A 64 -2.989 -2.438 -4.979 1.00 0.00 N ATOM 993 CA HIS A 64 -3.032 -1.499 -6.135 1.00 0.00 C ATOM 994 C HIS A 64 -3.867 -0.274 -5.764 1.00 0.00 C ATOM 995 O HIS A 64 -3.553 0.843 -6.125 1.00 0.00 O ATOM 996 CB HIS A 64 -3.701 -2.283 -7.263 1.00 0.00 C ATOM 997 CG HIS A 64 -3.561 -1.525 -8.555 1.00 0.00 C ATOM 998 ND1 HIS A 64 -2.498 -1.351 -9.407 1.00 0.00 N flip ATOM 999 CD2 HIS A 64 -4.615 -0.823 -9.117 1.00 0.00 C flip ATOM 1000 CE1 HIS A 64 -2.884 -0.556 -10.481 1.00 0.00 C flip ATOM 1001 NE2 HIS A 64 -4.168 -0.264 -10.257 1.00 0.00 N flip ATOM 0 H HIS A 64 -3.570 -3.271 -5.075 1.00 0.00 H new ATOM 0 HA HIS A 64 -2.043 -1.145 -6.425 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -3.244 -3.268 -7.356 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.755 -2.441 -7.035 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -5.613 -0.739 -8.714 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.276 -0.242 -11.317 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.740 0.312 -10.874 1.00 0.00 H new ATOM 1009 N THR A 65 -4.928 -0.483 -5.036 1.00 0.00 N ATOM 1010 CA THR A 65 -5.793 0.656 -4.620 1.00 0.00 C ATOM 1011 C THR A 65 -4.952 1.693 -3.864 1.00 0.00 C ATOM 1012 O THR A 65 -4.830 2.828 -4.278 1.00 0.00 O ATOM 1013 CB THR A 65 -6.853 0.005 -3.715 1.00 0.00 C ATOM 1014 OG1 THR A 65 -8.021 -0.257 -4.479 1.00 0.00 O ATOM 1015 CG2 THR A 65 -7.208 0.924 -2.547 1.00 0.00 C ATOM 0 H THR A 65 -5.235 -1.399 -4.709 1.00 0.00 H new ATOM 0 HA THR A 65 -6.250 1.189 -5.454 1.00 0.00 H new ATOM 0 HB THR A 65 -6.448 -0.925 -3.315 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.656 -0.773 -3.939 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.959 0.443 -1.921 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.314 1.122 -1.955 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.604 1.864 -2.931 1.00 0.00 H new ATOM 1023 N LEU A 66 -4.360 1.302 -2.769 1.00 0.00 N ATOM 1024 CA LEU A 66 -3.513 2.247 -1.991 1.00 0.00 C ATOM 1025 C LEU A 66 -2.519 2.919 -2.931 1.00 0.00 C ATOM 1026 O LEU A 66 -2.413 4.126 -2.996 1.00 0.00 O ATOM 1027 CB LEU A 66 -2.756 1.353 -1.016 1.00 0.00 C ATOM 1028 CG LEU A 66 -3.601 1.101 0.226 1.00 0.00 C ATOM 1029 CD1 LEU A 66 -4.466 -0.141 0.018 1.00 0.00 C ATOM 1030 CD2 LEU A 66 -2.668 0.884 1.415 1.00 0.00 C ATOM 0 H LEU A 66 -4.428 0.362 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.091 3.025 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.509 0.406 -1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -1.814 1.824 -0.735 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.250 1.956 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.069 -0.318 0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -5.121 0.012 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.826 -1.004 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.259 0.702 2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.027 0.024 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.051 1.771 1.560 1.00 0.00 H new ATOM 1042 N GLU A 67 -1.794 2.121 -3.661 1.00 0.00 N ATOM 1043 CA GLU A 67 -0.789 2.659 -4.611 1.00 0.00 C ATOM 1044 C GLU A 67 -1.464 3.590 -5.602 1.00 0.00 C ATOM 1045 O GLU A 67 -0.845 4.473 -6.165 1.00 0.00 O ATOM 1046 CB GLU A 67 -0.237 1.414 -5.308 1.00 0.00 C ATOM 1047 CG GLU A 67 0.361 1.792 -6.667 1.00 0.00 C ATOM 1048 CD GLU A 67 -0.626 1.429 -7.779 1.00 0.00 C ATOM 1049 OE1 GLU A 67 -1.180 0.345 -7.723 1.00 0.00 O ATOM 1050 OE2 GLU A 67 -0.811 2.245 -8.668 1.00 0.00 O ATOM 0 H GLU A 67 -1.858 1.103 -3.638 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.004 3.240 -4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.525 0.946 -4.684 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.032 0.681 -5.443 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.580 2.859 -6.695 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.305 1.268 -6.819 1.00 0.00 H new ATOM 1057 N ASN A 68 -2.728 3.412 -5.813 1.00 0.00 N ATOM 1058 CA ASN A 68 -3.437 4.298 -6.757 1.00 0.00 C ATOM 1059 C ASN A 68 -3.495 5.696 -6.167 1.00 0.00 C ATOM 1060 O ASN A 68 -3.257 6.680 -6.837 1.00 0.00 O ATOM 1061 CB ASN A 68 -4.838 3.724 -6.852 1.00 0.00 C ATOM 1062 CG ASN A 68 -5.310 3.738 -8.307 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -5.689 4.770 -8.825 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -5.304 2.629 -8.995 1.00 0.00 N ATOM 0 H ASN A 68 -3.301 2.692 -5.373 1.00 0.00 H new ATOM 0 HA ASN A 68 -2.951 4.356 -7.731 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -4.849 2.704 -6.467 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -5.521 4.306 -6.233 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.617 2.629 -9.966 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.986 1.762 -8.562 1.00 0.00 H new ATOM 1071 N ILE A 69 -3.786 5.782 -4.901 1.00 0.00 N ATOM 1072 CA ILE A 69 -3.850 7.115 -4.247 1.00 0.00 C ATOM 1073 C ILE A 69 -2.463 7.694 -4.226 1.00 0.00 C ATOM 1074 O ILE A 69 -2.245 8.878 -4.386 1.00 0.00 O ATOM 1075 CB ILE A 69 -4.358 6.846 -2.836 1.00 0.00 C ATOM 1076 CG1 ILE A 69 -5.848 6.542 -2.902 1.00 0.00 C ATOM 1077 CG2 ILE A 69 -4.126 8.083 -1.965 1.00 0.00 C ATOM 1078 CD1 ILE A 69 -6.070 5.176 -3.551 1.00 0.00 C ATOM 0 H ILE A 69 -3.982 4.988 -4.292 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.500 7.823 -4.761 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.825 5.999 -2.404 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.275 6.552 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.361 7.315 -3.475 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.489 7.891 -0.956 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.060 8.309 -1.930 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.663 8.932 -2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -7.138 4.964 -3.596 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.659 5.182 -4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.572 4.407 -2.960 1.00 0.00 H new ATOM 1090 N LEU A 70 -1.526 6.834 -4.080 1.00 0.00 N ATOM 1091 CA LEU A 70 -0.113 7.272 -4.103 1.00 0.00 C ATOM 1092 C LEU A 70 0.259 7.542 -5.547 1.00 0.00 C ATOM 1093 O LEU A 70 1.238 8.198 -5.846 1.00 0.00 O ATOM 1094 CB LEU A 70 0.697 6.119 -3.505 1.00 0.00 C ATOM 1095 CG LEU A 70 0.121 5.733 -2.136 1.00 0.00 C ATOM 1096 CD1 LEU A 70 1.192 5.017 -1.317 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -0.327 6.988 -1.377 1.00 0.00 C ATOM 0 H LEU A 70 -1.669 5.833 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 70 0.075 8.181 -3.532 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.673 5.260 -4.175 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.742 6.412 -3.400 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.736 5.077 -2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.783 4.743 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.512 4.118 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.047 5.679 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.734 6.701 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.527 7.649 -1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.093 7.507 -1.953 1.00 0.00 H new ATOM 1109 N ASP A 71 -0.556 7.075 -6.447 1.00 0.00 N ATOM 1110 CA ASP A 71 -0.296 7.342 -7.875 1.00 0.00 C ATOM 1111 C ASP A 71 -0.822 8.736 -8.186 1.00 0.00 C ATOM 1112 O ASP A 71 -0.106 9.575 -8.693 1.00 0.00 O ATOM 1113 CB ASP A 71 -1.067 6.274 -8.651 1.00 0.00 C ATOM 1114 CG ASP A 71 -0.623 6.289 -10.115 1.00 0.00 C ATOM 1115 OD1 ASP A 71 -0.214 7.340 -10.579 1.00 0.00 O ATOM 1116 OD2 ASP A 71 -0.700 5.248 -10.747 1.00 0.00 O ATOM 0 H ASP A 71 -1.389 6.521 -6.250 1.00 0.00 H new ATOM 0 HA ASP A 71 0.761 7.305 -8.138 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.887 5.291 -8.215 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -2.139 6.462 -8.583 1.00 0.00 H new ATOM 1121 N LYS A 72 -2.056 9.014 -7.844 1.00 0.00 N ATOM 1122 CA LYS A 72 -2.579 10.374 -8.089 1.00 0.00 C ATOM 1123 C LYS A 72 -1.738 11.353 -7.292 1.00 0.00 C ATOM 1124 O LYS A 72 -1.452 12.454 -7.718 1.00 0.00 O ATOM 1125 CB LYS A 72 -3.997 10.322 -7.562 1.00 0.00 C ATOM 1126 CG LYS A 72 -4.897 9.621 -8.561 1.00 0.00 C ATOM 1127 CD LYS A 72 -5.973 8.906 -7.768 1.00 0.00 C ATOM 1128 CE LYS A 72 -5.557 7.461 -7.536 1.00 0.00 C ATOM 1129 NZ LYS A 72 -6.797 6.661 -7.729 1.00 0.00 N ATOM 0 H LYS A 72 -2.709 8.361 -7.412 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.550 10.685 -9.133 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.020 9.796 -6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.362 11.332 -7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.340 10.340 -9.250 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.327 8.913 -9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.130 9.408 -6.813 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.920 8.941 -8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.780 7.158 -8.237 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.152 7.324 -6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.564 5.770 -8.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.223 6.452 -6.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.472 7.201 -8.307 1.00 0.00 H new ATOM 1143 N ALA A 73 -1.309 10.926 -6.145 1.00 0.00 N ATOM 1144 CA ALA A 73 -0.440 11.784 -5.305 1.00 0.00 C ATOM 1145 C ALA A 73 0.812 12.107 -6.107 1.00 0.00 C ATOM 1146 O ALA A 73 1.338 13.201 -6.064 1.00 0.00 O ATOM 1147 CB ALA A 73 -0.098 10.919 -4.094 1.00 0.00 C ATOM 0 H ALA A 73 -1.525 10.011 -5.749 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.903 12.723 -5.002 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.546 11.480 -3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.015 10.640 -3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.420 10.019 -4.425 1.00 0.00 H new ATOM 1153 N ARG A 74 1.270 11.152 -6.870 1.00 0.00 N ATOM 1154 CA ARG A 74 2.466 11.379 -7.715 1.00 0.00 C ATOM 1155 C ARG A 74 2.002 11.899 -9.082 1.00 0.00 C ATOM 1156 O ARG A 74 2.781 12.407 -9.864 1.00 0.00 O ATOM 1157 CB ARG A 74 3.152 10.000 -7.809 1.00 0.00 C ATOM 1158 CG ARG A 74 3.345 9.577 -9.271 1.00 0.00 C ATOM 1159 CD ARG A 74 4.166 8.287 -9.328 1.00 0.00 C ATOM 1160 NE ARG A 74 4.784 8.285 -10.683 1.00 0.00 N ATOM 1161 CZ ARG A 74 6.018 7.888 -10.837 1.00 0.00 C ATOM 1162 NH1 ARG A 74 6.376 6.703 -10.428 1.00 0.00 N ATOM 1163 NH2 ARG A 74 6.892 8.678 -11.398 1.00 0.00 N ATOM 0 H ARG A 74 0.861 10.220 -6.941 1.00 0.00 H new ATOM 0 HA ARG A 74 3.161 12.118 -7.316 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.119 10.037 -7.307 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.551 9.255 -7.288 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.376 9.425 -9.747 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.852 10.367 -9.825 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.926 8.268 -8.547 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.535 7.410 -9.180 1.00 0.00 H new ATOM 0 HE ARG A 74 4.243 8.594 -11.491 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.692 6.087 -9.988 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.340 6.392 -10.548 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.611 9.605 -11.716 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.856 8.368 -11.518 1.00 0.00 H new ATOM 1177 N ASN A 75 0.729 11.784 -9.361 1.00 0.00 N ATOM 1178 CA ASN A 75 0.204 12.282 -10.663 1.00 0.00 C ATOM 1179 C ASN A 75 -0.404 13.672 -10.468 1.00 0.00 C ATOM 1180 O ASN A 75 -0.903 14.281 -11.393 1.00 0.00 O ATOM 1181 CB ASN A 75 -0.874 11.279 -11.080 1.00 0.00 C ATOM 1182 CG ASN A 75 -0.638 10.848 -12.529 1.00 0.00 C ATOM 1183 OD1 ASN A 75 0.128 9.941 -12.788 1.00 0.00 O ATOM 1184 ND2 ASN A 75 -1.270 11.464 -13.491 1.00 0.00 N ATOM 0 H ASN A 75 0.033 11.367 -8.743 1.00 0.00 H new ATOM 0 HA ASN A 75 0.983 12.366 -11.421 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -0.851 10.410 -10.423 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.862 11.728 -10.979 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -1.121 11.184 -14.460 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -1.913 12.225 -13.273 1.00 0.00 H new ATOM 1191 N SER A 76 -0.367 14.173 -9.260 1.00 0.00 N ATOM 1192 CA SER A 76 -0.939 15.519 -8.980 1.00 0.00 C ATOM 1193 C SER A 76 -2.467 15.458 -9.020 1.00 0.00 C ATOM 1194 O SER A 76 -3.126 16.427 -9.336 1.00 0.00 O ATOM 1195 CB SER A 76 -0.403 16.431 -10.085 1.00 0.00 C ATOM 1196 OG SER A 76 0.210 17.571 -9.497 1.00 0.00 O ATOM 0 H SER A 76 0.039 13.702 -8.451 1.00 0.00 H new ATOM 0 HA SER A 76 -0.660 15.886 -7.992 1.00 0.00 H new ATOM 0 HB2 SER A 76 0.318 15.892 -10.699 1.00 0.00 H new ATOM 0 HB3 SER A 76 -1.215 16.739 -10.744 1.00 0.00 H new ATOM 0 HG SER A 76 0.556 18.157 -10.202 1.00 0.00 H new ATOM 1202 N GLU A 77 -3.038 14.327 -8.697 1.00 0.00 N ATOM 1203 CA GLU A 77 -4.519 14.223 -8.717 1.00 0.00 C ATOM 1204 C GLU A 77 -5.062 14.249 -7.292 1.00 0.00 C ATOM 1205 O GLU A 77 -6.024 14.929 -6.994 1.00 0.00 O ATOM 1206 CB GLU A 77 -4.812 12.895 -9.413 1.00 0.00 C ATOM 1207 CG GLU A 77 -4.492 13.016 -10.902 1.00 0.00 C ATOM 1208 CD GLU A 77 -5.734 13.493 -11.656 1.00 0.00 C ATOM 1209 OE1 GLU A 77 -6.673 12.720 -11.761 1.00 0.00 O ATOM 1210 OE2 GLU A 77 -5.727 14.622 -12.117 1.00 0.00 O ATOM 0 H GLU A 77 -2.543 13.478 -8.423 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.996 15.053 -9.239 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.216 12.099 -8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.859 12.624 -9.276 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.671 13.717 -11.052 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.164 12.053 -11.293 1.00 0.00 H new ATOM 1217 N ILE A 78 -4.445 13.528 -6.410 1.00 0.00 N ATOM 1218 CA ILE A 78 -4.919 13.526 -4.993 1.00 0.00 C ATOM 1219 C ILE A 78 -3.763 13.773 -4.028 1.00 0.00 C ATOM 1220 O ILE A 78 -2.611 13.834 -4.409 1.00 0.00 O ATOM 1221 CB ILE A 78 -5.485 12.130 -4.745 1.00 0.00 C ATOM 1222 CG1 ILE A 78 -4.346 11.110 -4.788 1.00 0.00 C ATOM 1223 CG2 ILE A 78 -6.524 11.796 -5.817 1.00 0.00 C ATOM 1224 CD1 ILE A 78 -3.617 11.074 -3.446 1.00 0.00 C ATOM 0 H ILE A 78 -3.634 12.939 -6.600 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.656 14.313 -4.832 1.00 0.00 H new ATOM 0 HB ILE A 78 -5.964 12.098 -3.766 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.742 10.122 -5.021 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.647 11.369 -5.583 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.925 10.799 -5.636 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.333 12.525 -5.779 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.055 11.826 -6.800 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.809 10.344 -3.490 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.204 12.059 -3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.317 10.793 -2.659 1.00 0.00 H new ATOM 1236 N LYS A 79 -4.076 13.880 -2.770 1.00 0.00 N ATOM 1237 CA LYS A 79 -3.030 14.084 -1.740 1.00 0.00 C ATOM 1238 C LYS A 79 -3.484 13.406 -0.449 1.00 0.00 C ATOM 1239 O LYS A 79 -4.658 13.166 -0.252 1.00 0.00 O ATOM 1240 CB LYS A 79 -2.940 15.594 -1.565 1.00 0.00 C ATOM 1241 CG LYS A 79 -4.270 16.115 -1.028 1.00 0.00 C ATOM 1242 CD LYS A 79 -4.002 16.992 0.189 1.00 0.00 C ATOM 1243 CE LYS A 79 -4.050 16.140 1.458 1.00 0.00 C ATOM 1244 NZ LYS A 79 -4.674 17.018 2.488 1.00 0.00 N ATOM 0 H LYS A 79 -5.029 13.834 -2.408 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.062 13.663 -2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.133 15.845 -0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.707 16.070 -2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.789 16.687 -1.797 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.919 15.282 -0.757 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.027 17.470 0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -4.744 17.789 0.246 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.637 15.234 1.303 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.051 15.825 1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.212 16.859 3.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -4.560 18.014 2.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.687 16.795 2.567 1.00 0.00 H new ATOM 1258 N ILE A 80 -2.582 13.080 0.428 1.00 0.00 N ATOM 1259 CA ILE A 80 -3.002 12.410 1.687 1.00 0.00 C ATOM 1260 C ILE A 80 -3.773 13.386 2.564 1.00 0.00 C ATOM 1261 O ILE A 80 -3.217 14.181 3.296 1.00 0.00 O ATOM 1262 CB ILE A 80 -1.708 11.983 2.343 1.00 0.00 C ATOM 1263 CG1 ILE A 80 -1.221 10.698 1.681 1.00 0.00 C ATOM 1264 CG2 ILE A 80 -1.925 11.744 3.840 1.00 0.00 C ATOM 1265 CD1 ILE A 80 -1.016 10.935 0.183 1.00 0.00 C ATOM 0 H ILE A 80 -1.580 13.246 0.331 1.00 0.00 H new ATOM 0 HA ILE A 80 -3.664 11.561 1.516 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.963 12.770 2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.287 10.373 2.139 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.947 9.900 1.837 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -0.985 11.437 4.299 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -2.275 12.664 4.308 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.670 10.960 3.979 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.668 10.015 -0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.960 11.239 -0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -0.274 11.720 0.037 1.00 0.00 H new ATOM 1277 N THR A 81 -5.056 13.314 2.476 1.00 0.00 N ATOM 1278 CA THR A 81 -5.937 14.217 3.278 1.00 0.00 C ATOM 1279 C THR A 81 -6.232 13.595 4.640 1.00 0.00 C ATOM 1280 O THR A 81 -7.163 13.987 5.316 1.00 0.00 O ATOM 1281 CB THR A 81 -7.232 14.305 2.469 1.00 0.00 C ATOM 1282 OG1 THR A 81 -7.810 13.011 2.368 1.00 0.00 O ATOM 1283 CG2 THR A 81 -6.937 14.840 1.069 1.00 0.00 C ATOM 0 H THR A 81 -5.554 12.659 1.874 1.00 0.00 H new ATOM 0 HA THR A 81 -5.478 15.190 3.454 1.00 0.00 H new ATOM 0 HB THR A 81 -7.924 14.981 2.971 1.00 0.00 H new ATOM 0 HG1 THR A 81 -8.735 13.090 2.055 1.00 0.00 H new ATOM 0 HG21 THR A 81 -7.864 14.900 0.499 1.00 0.00 H new ATOM 0 HG22 THR A 81 -6.493 15.833 1.145 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.242 14.170 0.562 1.00 0.00 H new ATOM 1291 N SER A 82 -5.477 12.598 5.030 1.00 0.00 N ATOM 1292 CA SER A 82 -5.741 11.910 6.332 1.00 0.00 C ATOM 1293 C SER A 82 -6.964 10.997 6.182 1.00 0.00 C ATOM 1294 O SER A 82 -7.291 10.222 7.059 1.00 0.00 O ATOM 1295 CB SER A 82 -6.012 13.015 7.351 1.00 0.00 C ATOM 1296 OG SER A 82 -5.269 12.756 8.535 1.00 0.00 O ATOM 0 H SER A 82 -4.687 12.230 4.501 1.00 0.00 H new ATOM 0 HA SER A 82 -4.901 11.292 6.649 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.732 13.984 6.937 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.077 13.062 7.579 1.00 0.00 H new ATOM 0 HG SER A 82 -5.440 13.465 9.190 1.00 0.00 H new ATOM 1302 N ASP A 83 -7.628 11.075 5.057 1.00 0.00 N ATOM 1303 CA ASP A 83 -8.811 10.216 4.806 1.00 0.00 C ATOM 1304 C ASP A 83 -8.460 9.248 3.681 1.00 0.00 C ATOM 1305 O ASP A 83 -8.721 8.065 3.760 1.00 0.00 O ATOM 1306 CB ASP A 83 -9.915 11.175 4.365 1.00 0.00 C ATOM 1307 CG ASP A 83 -11.229 10.793 5.046 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -11.407 11.163 6.195 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -12.035 10.135 4.409 1.00 0.00 O ATOM 0 H ASP A 83 -7.392 11.709 4.294 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.120 9.636 5.675 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.645 12.199 4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -10.031 11.138 3.282 1.00 0.00 H new ATOM 1314 N LEU A 84 -7.837 9.745 2.642 1.00 0.00 N ATOM 1315 CA LEU A 84 -7.435 8.845 1.529 1.00 0.00 C ATOM 1316 C LEU A 84 -6.366 7.895 2.051 1.00 0.00 C ATOM 1317 O LEU A 84 -6.201 6.791 1.572 1.00 0.00 O ATOM 1318 CB LEU A 84 -6.874 9.765 0.443 1.00 0.00 C ATOM 1319 CG LEU A 84 -7.922 10.817 0.072 1.00 0.00 C ATOM 1320 CD1 LEU A 84 -7.524 11.492 -1.242 1.00 0.00 C ATOM 1321 CD2 LEU A 84 -9.289 10.145 -0.098 1.00 0.00 C ATOM 0 H LEU A 84 -7.593 10.728 2.520 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.256 8.246 1.136 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.965 10.251 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.601 9.182 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.980 11.563 0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.270 12.241 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.553 11.973 -1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.465 10.744 -2.032 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.033 10.896 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.231 9.398 -0.889 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -9.576 9.663 0.836 1.00 0.00 H new ATOM 1333 N LEU A 85 -5.655 8.320 3.059 1.00 0.00 N ATOM 1334 CA LEU A 85 -4.610 7.446 3.653 1.00 0.00 C ATOM 1335 C LEU A 85 -5.273 6.525 4.687 1.00 0.00 C ATOM 1336 O LEU A 85 -4.907 5.376 4.837 1.00 0.00 O ATOM 1337 CB LEU A 85 -3.590 8.415 4.287 1.00 0.00 C ATOM 1338 CG LEU A 85 -3.572 8.287 5.816 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -2.768 7.049 6.217 1.00 0.00 C ATOM 1340 CD2 LEU A 85 -2.927 9.533 6.427 1.00 0.00 C ATOM 0 H LEU A 85 -5.754 9.236 3.496 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.111 6.798 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.595 8.209 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.838 9.439 4.009 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.594 8.191 6.182 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.756 6.959 7.303 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.228 6.161 5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.746 7.144 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.915 9.441 7.513 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.905 9.631 6.060 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.501 10.416 6.144 1.00 0.00 H new ATOM 1352 N ASP A 86 -6.258 7.024 5.389 1.00 0.00 N ATOM 1353 CA ASP A 86 -6.954 6.179 6.399 1.00 0.00 C ATOM 1354 C ASP A 86 -7.619 4.995 5.703 1.00 0.00 C ATOM 1355 O ASP A 86 -7.556 3.876 6.170 1.00 0.00 O ATOM 1356 CB ASP A 86 -8.004 7.092 7.035 1.00 0.00 C ATOM 1357 CG ASP A 86 -8.876 6.277 7.990 1.00 0.00 C ATOM 1358 OD1 ASP A 86 -8.392 5.930 9.055 1.00 0.00 O ATOM 1359 OD2 ASP A 86 -10.015 6.012 7.641 1.00 0.00 O ATOM 0 H ASP A 86 -6.608 7.978 5.305 1.00 0.00 H new ATOM 0 HA ASP A 86 -6.272 5.775 7.147 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.517 7.904 7.574 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.621 7.548 6.261 1.00 0.00 H new ATOM 1364 N LYS A 87 -8.230 5.222 4.571 1.00 0.00 N ATOM 1365 CA LYS A 87 -8.860 4.092 3.843 1.00 0.00 C ATOM 1366 C LYS A 87 -7.742 3.239 3.266 1.00 0.00 C ATOM 1367 O LYS A 87 -7.827 2.028 3.204 1.00 0.00 O ATOM 1368 CB LYS A 87 -9.699 4.731 2.737 1.00 0.00 C ATOM 1369 CG LYS A 87 -10.879 5.484 3.355 1.00 0.00 C ATOM 1370 CD LYS A 87 -11.562 4.599 4.400 1.00 0.00 C ATOM 1371 CE LYS A 87 -13.011 5.056 4.590 1.00 0.00 C ATOM 1372 NZ LYS A 87 -12.953 6.065 5.684 1.00 0.00 N ATOM 0 H LYS A 87 -8.318 6.135 4.125 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.486 3.458 4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.085 5.415 2.151 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.063 3.964 2.054 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.532 6.408 3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.591 5.764 2.579 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.537 3.557 4.081 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.025 4.656 5.347 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -13.412 5.489 3.674 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.657 4.220 4.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.909 6.427 5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.573 5.622 6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.336 6.852 5.398 1.00 0.00 H new ATOM 1386 N ILE A 88 -6.668 3.872 2.886 1.00 0.00 N ATOM 1387 CA ILE A 88 -5.510 3.112 2.361 1.00 0.00 C ATOM 1388 C ILE A 88 -5.020 2.204 3.490 1.00 0.00 C ATOM 1389 O ILE A 88 -4.985 0.996 3.366 1.00 0.00 O ATOM 1390 CB ILE A 88 -4.484 4.198 1.981 1.00 0.00 C ATOM 1391 CG1 ILE A 88 -4.376 4.286 0.465 1.00 0.00 C ATOM 1392 CG2 ILE A 88 -3.099 3.901 2.570 1.00 0.00 C ATOM 1393 CD1 ILE A 88 -4.135 5.743 0.066 1.00 0.00 C ATOM 0 H ILE A 88 -6.546 4.884 2.918 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.718 2.477 1.500 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.832 5.145 2.393 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.559 3.658 0.109 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.289 3.915 0.000 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.404 4.689 2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.167 3.859 3.657 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.741 2.944 2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.056 5.815 -1.019 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.967 6.357 0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.210 6.097 0.521 1.00 0.00 H new ATOM 1405 N PHE A 89 -4.682 2.784 4.610 1.00 0.00 N ATOM 1406 CA PHE A 89 -4.232 1.964 5.762 1.00 0.00 C ATOM 1407 C PHE A 89 -5.324 0.964 6.109 1.00 0.00 C ATOM 1408 O PHE A 89 -5.085 -0.058 6.721 1.00 0.00 O ATOM 1409 CB PHE A 89 -4.020 2.955 6.903 1.00 0.00 C ATOM 1410 CG PHE A 89 -3.876 2.200 8.204 1.00 0.00 C ATOM 1411 CD1 PHE A 89 -5.006 1.658 8.827 1.00 0.00 C ATOM 1412 CD2 PHE A 89 -2.612 2.037 8.784 1.00 0.00 C ATOM 1413 CE1 PHE A 89 -4.874 0.955 10.031 1.00 0.00 C ATOM 1414 CE2 PHE A 89 -2.479 1.334 9.988 1.00 0.00 C ATOM 1415 CZ PHE A 89 -3.609 0.792 10.610 1.00 0.00 C ATOM 0 H PHE A 89 -4.699 3.791 4.773 1.00 0.00 H new ATOM 0 HA PHE A 89 -3.321 1.402 5.556 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.129 3.555 6.717 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -4.862 3.645 6.961 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.981 1.782 8.379 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.739 2.453 8.303 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.747 0.539 10.513 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -1.504 1.210 10.436 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.506 0.248 11.537 1.00 0.00 H new ATOM 1425 N ALA A 90 -6.517 1.246 5.688 1.00 0.00 N ATOM 1426 CA ALA A 90 -7.638 0.313 5.948 1.00 0.00 C ATOM 1427 C ALA A 90 -7.510 -0.844 4.969 1.00 0.00 C ATOM 1428 O ALA A 90 -7.794 -1.982 5.283 1.00 0.00 O ATOM 1429 CB ALA A 90 -8.913 1.115 5.684 1.00 0.00 C ATOM 0 H ALA A 90 -6.766 2.089 5.171 1.00 0.00 H new ATOM 0 HA ALA A 90 -7.645 -0.089 6.961 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.783 0.482 5.858 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.948 1.974 6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -8.917 1.462 4.651 1.00 0.00 H new ATOM 1435 N GLY A 91 -7.043 -0.553 3.785 1.00 0.00 N ATOM 1436 CA GLY A 91 -6.845 -1.623 2.777 1.00 0.00 C ATOM 1437 C GLY A 91 -5.696 -2.500 3.260 1.00 0.00 C ATOM 1438 O GLY A 91 -5.754 -3.713 3.211 1.00 0.00 O ATOM 0 H GLY A 91 -6.790 0.385 3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.754 -2.213 2.660 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.616 -1.193 1.802 1.00 0.00 H new ATOM 1442 N VAL A 92 -4.660 -1.883 3.761 1.00 0.00 N ATOM 1443 CA VAL A 92 -3.511 -2.662 4.290 1.00 0.00 C ATOM 1444 C VAL A 92 -3.970 -3.396 5.552 1.00 0.00 C ATOM 1445 O VAL A 92 -3.386 -4.379 5.966 1.00 0.00 O ATOM 1446 CB VAL A 92 -2.443 -1.613 4.612 1.00 0.00 C ATOM 1447 CG1 VAL A 92 -1.506 -2.132 5.708 1.00 0.00 C ATOM 1448 CG2 VAL A 92 -1.629 -1.316 3.351 1.00 0.00 C ATOM 0 H VAL A 92 -4.563 -0.870 3.826 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.126 -3.409 3.595 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.932 -0.704 4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.751 -1.378 5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.082 -2.343 6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.018 -3.045 5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.868 -0.569 3.577 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.149 -2.231 3.004 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.290 -0.936 2.572 1.00 0.00 H new ATOM 1458 N ASP A 93 -5.033 -2.926 6.152 1.00 0.00 N ATOM 1459 CA ASP A 93 -5.565 -3.588 7.372 1.00 0.00 C ATOM 1460 C ASP A 93 -6.223 -4.902 6.969 1.00 0.00 C ATOM 1461 O ASP A 93 -5.970 -5.938 7.549 1.00 0.00 O ATOM 1462 CB ASP A 93 -6.596 -2.607 7.934 1.00 0.00 C ATOM 1463 CG ASP A 93 -6.590 -2.675 9.463 1.00 0.00 C ATOM 1464 OD1 ASP A 93 -6.642 -3.775 9.989 1.00 0.00 O ATOM 1465 OD2 ASP A 93 -6.533 -1.625 10.082 1.00 0.00 O ATOM 0 H ASP A 93 -5.556 -2.106 5.844 1.00 0.00 H new ATOM 0 HA ASP A 93 -4.796 -3.818 8.110 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -6.366 -1.594 7.604 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -7.588 -2.849 7.553 1.00 0.00 H new ATOM 1470 N MET A 94 -7.039 -4.874 5.952 1.00 0.00 N ATOM 1471 CA MET A 94 -7.676 -6.134 5.492 1.00 0.00 C ATOM 1472 C MET A 94 -6.588 -6.994 4.865 1.00 0.00 C ATOM 1473 O MET A 94 -6.485 -8.178 5.117 1.00 0.00 O ATOM 1474 CB MET A 94 -8.718 -5.723 4.447 1.00 0.00 C ATOM 1475 CG MET A 94 -9.459 -4.471 4.919 1.00 0.00 C ATOM 1476 SD MET A 94 -11.116 -4.439 4.193 1.00 0.00 S ATOM 1477 CE MET A 94 -10.610 -4.142 2.480 1.00 0.00 C ATOM 0 H MET A 94 -7.290 -4.038 5.424 1.00 0.00 H new ATOM 0 HA MET A 94 -8.150 -6.699 6.295 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.231 -5.530 3.491 1.00 0.00 H new ATOM 0 HB3 MET A 94 -9.425 -6.536 4.286 1.00 0.00 H new ATOM 0 HG2 MET A 94 -9.527 -4.465 6.007 1.00 0.00 H new ATOM 0 HG3 MET A 94 -8.906 -3.578 4.629 1.00 0.00 H new ATOM 0 HE1 MET A 94 -11.345 -4.576 1.803 1.00 0.00 H new ATOM 0 HE2 MET A 94 -10.542 -3.069 2.302 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.638 -4.602 2.303 1.00 0.00 H new ATOM 1487 N ILE A 95 -5.747 -6.384 4.073 1.00 0.00 N ATOM 1488 CA ILE A 95 -4.629 -7.139 3.456 1.00 0.00 C ATOM 1489 C ILE A 95 -3.942 -7.940 4.563 1.00 0.00 C ATOM 1490 O ILE A 95 -3.514 -9.061 4.367 1.00 0.00 O ATOM 1491 CB ILE A 95 -3.711 -6.051 2.876 1.00 0.00 C ATOM 1492 CG1 ILE A 95 -4.041 -5.851 1.395 1.00 0.00 C ATOM 1493 CG2 ILE A 95 -2.242 -6.453 3.019 1.00 0.00 C ATOM 1494 CD1 ILE A 95 -3.378 -4.567 0.893 1.00 0.00 C ATOM 0 H ILE A 95 -5.790 -5.394 3.829 1.00 0.00 H new ATOM 0 HA ILE A 95 -4.927 -7.844 2.680 1.00 0.00 H new ATOM 0 HB ILE A 95 -3.874 -5.123 3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -3.690 -6.705 0.815 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.121 -5.793 1.257 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -1.608 -5.670 2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -2.003 -6.590 4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.066 -7.386 2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.613 -4.425 -0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -3.750 -3.717 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.298 -4.643 1.017 1.00 0.00 H new ATOM 1506 N THR A 96 -3.867 -7.373 5.736 1.00 0.00 N ATOM 1507 CA THR A 96 -3.247 -8.097 6.876 1.00 0.00 C ATOM 1508 C THR A 96 -4.230 -9.159 7.365 1.00 0.00 C ATOM 1509 O THR A 96 -3.877 -10.302 7.571 1.00 0.00 O ATOM 1510 CB THR A 96 -3.016 -7.036 7.953 1.00 0.00 C ATOM 1511 OG1 THR A 96 -1.969 -6.168 7.545 1.00 0.00 O ATOM 1512 CG2 THR A 96 -2.632 -7.717 9.267 1.00 0.00 C ATOM 0 H THR A 96 -4.210 -6.437 5.952 1.00 0.00 H new ATOM 0 HA THR A 96 -2.314 -8.595 6.612 1.00 0.00 H new ATOM 0 HB THR A 96 -3.930 -6.460 8.097 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.333 -5.467 6.964 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.467 -6.961 10.034 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.436 -8.383 9.580 1.00 0.00 H new ATOM 0 HG23 THR A 96 -1.718 -8.294 9.124 1.00 0.00 H new ATOM 1520 N ARG A 97 -5.473 -8.788 7.534 1.00 0.00 N ATOM 1521 CA ARG A 97 -6.486 -9.782 7.990 1.00 0.00 C ATOM 1522 C ARG A 97 -6.497 -10.971 7.027 1.00 0.00 C ATOM 1523 O ARG A 97 -6.550 -12.113 7.438 1.00 0.00 O ATOM 1524 CB ARG A 97 -7.832 -9.049 7.964 1.00 0.00 C ATOM 1525 CG ARG A 97 -7.849 -7.913 9.001 1.00 0.00 C ATOM 1526 CD ARG A 97 -7.058 -8.321 10.249 1.00 0.00 C ATOM 1527 NE ARG A 97 -7.613 -7.491 11.353 1.00 0.00 N ATOM 1528 CZ ARG A 97 -7.164 -7.642 12.569 1.00 0.00 C ATOM 1529 NH1 ARG A 97 -5.883 -7.772 12.779 1.00 0.00 N ATOM 1530 NH2 ARG A 97 -7.995 -7.666 13.575 1.00 0.00 N ATOM 0 H ARG A 97 -5.828 -7.845 7.377 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.271 -10.167 8.987 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -8.012 -8.643 6.969 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -8.639 -9.751 8.173 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.419 -7.010 8.568 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -8.877 -7.677 9.275 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.175 -9.384 10.459 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -5.992 -8.138 10.117 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.343 -6.805 11.159 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.233 -7.756 11.993 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -5.531 -7.890 13.729 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.997 -7.567 13.411 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -7.643 -7.784 14.525 1.00 0.00 H new ATOM 1544 N MET A 98 -6.419 -10.716 5.746 1.00 0.00 N ATOM 1545 CA MET A 98 -6.393 -11.837 4.775 1.00 0.00 C ATOM 1546 C MET A 98 -5.097 -12.608 4.984 1.00 0.00 C ATOM 1547 O MET A 98 -5.059 -13.817 4.914 1.00 0.00 O ATOM 1548 CB MET A 98 -6.412 -11.177 3.396 1.00 0.00 C ATOM 1549 CG MET A 98 -7.789 -10.566 3.142 1.00 0.00 C ATOM 1550 SD MET A 98 -7.615 -9.100 2.096 1.00 0.00 S ATOM 1551 CE MET A 98 -8.193 -9.854 0.555 1.00 0.00 C ATOM 0 H MET A 98 -6.373 -9.783 5.337 1.00 0.00 H new ATOM 0 HA MET A 98 -7.228 -12.529 4.887 1.00 0.00 H new ATOM 0 HB2 MET A 98 -5.644 -10.405 3.340 1.00 0.00 H new ATOM 0 HB3 MET A 98 -6.181 -11.913 2.626 1.00 0.00 H new ATOM 0 HG2 MET A 98 -8.439 -11.296 2.659 1.00 0.00 H new ATOM 0 HG3 MET A 98 -8.259 -10.297 4.088 1.00 0.00 H new ATOM 0 HE1 MET A 98 -8.169 -9.113 -0.244 1.00 0.00 H new ATOM 0 HE2 MET A 98 -7.545 -10.691 0.294 1.00 0.00 H new ATOM 0 HE3 MET A 98 -9.214 -10.213 0.686 1.00 0.00 H new ATOM 1561 N VAL A 99 -4.039 -11.900 5.265 1.00 0.00 N ATOM 1562 CA VAL A 99 -2.734 -12.562 5.508 1.00 0.00 C ATOM 1563 C VAL A 99 -2.819 -13.369 6.805 1.00 0.00 C ATOM 1564 O VAL A 99 -2.193 -14.399 6.948 1.00 0.00 O ATOM 1565 CB VAL A 99 -1.735 -11.407 5.633 1.00 0.00 C ATOM 1566 CG1 VAL A 99 -0.532 -11.836 6.479 1.00 0.00 C ATOM 1567 CG2 VAL A 99 -1.251 -11.005 4.238 1.00 0.00 C ATOM 0 H VAL A 99 -4.026 -10.883 5.337 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.442 -13.255 4.719 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.227 -10.563 6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.170 -11.006 6.560 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.871 -12.123 7.474 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -0.038 -12.684 6.005 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.540 -10.183 4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.766 -11.857 3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.102 -10.688 3.635 1.00 0.00 H new ATOM 1577 N ASP A 100 -3.599 -12.909 7.747 1.00 0.00 N ATOM 1578 CA ASP A 100 -3.736 -13.655 9.029 1.00 0.00 C ATOM 1579 C ASP A 100 -4.585 -14.902 8.805 1.00 0.00 C ATOM 1580 O ASP A 100 -4.388 -15.922 9.432 1.00 0.00 O ATOM 1581 CB ASP A 100 -4.434 -12.686 9.983 1.00 0.00 C ATOM 1582 CG ASP A 100 -4.805 -13.420 11.273 1.00 0.00 C ATOM 1583 OD1 ASP A 100 -3.930 -14.046 11.848 1.00 0.00 O ATOM 1584 OD2 ASP A 100 -5.957 -13.344 11.663 1.00 0.00 O ATOM 0 H ASP A 100 -4.146 -12.050 7.683 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.777 -13.985 9.428 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -3.779 -11.844 10.207 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -5.329 -12.278 9.514 1.00 0.00 H new ATOM 1589 N LYS A 101 -5.511 -14.833 7.892 1.00 0.00 N ATOM 1590 CA LYS A 101 -6.352 -16.017 7.599 1.00 0.00 C ATOM 1591 C LYS A 101 -5.652 -16.825 6.508 1.00 0.00 C ATOM 1592 O LYS A 101 -5.668 -18.039 6.501 1.00 0.00 O ATOM 1593 CB LYS A 101 -7.701 -15.432 7.162 1.00 0.00 C ATOM 1594 CG LYS A 101 -8.034 -15.781 5.712 1.00 0.00 C ATOM 1595 CD LYS A 101 -8.602 -14.555 5.045 1.00 0.00 C ATOM 1596 CE LYS A 101 -9.860 -14.960 4.289 1.00 0.00 C ATOM 1597 NZ LYS A 101 -10.944 -15.003 5.315 1.00 0.00 N ATOM 0 H LYS A 101 -5.720 -14.004 7.336 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.505 -16.698 8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -8.488 -15.809 7.815 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.681 -14.348 7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.139 -16.117 5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.752 -16.600 5.675 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.835 -13.792 5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.872 -14.122 4.362 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -10.093 -14.243 3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -9.735 -15.931 3.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.813 -14.592 4.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.122 -15.990 5.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -10.653 -14.457 6.151 1.00 0.00 H new ATOM 1611 N ILE A 102 -5.014 -16.137 5.595 1.00 0.00 N ATOM 1612 CA ILE A 102 -4.281 -16.837 4.513 1.00 0.00 C ATOM 1613 C ILE A 102 -3.149 -17.612 5.168 1.00 0.00 C ATOM 1614 O ILE A 102 -2.795 -18.704 4.771 1.00 0.00 O ATOM 1615 CB ILE A 102 -3.740 -15.726 3.610 1.00 0.00 C ATOM 1616 CG1 ILE A 102 -4.837 -15.285 2.639 1.00 0.00 C ATOM 1617 CG2 ILE A 102 -2.536 -16.240 2.820 1.00 0.00 C ATOM 1618 CD1 ILE A 102 -4.284 -14.226 1.686 1.00 0.00 C ATOM 0 H ILE A 102 -4.973 -15.119 5.558 1.00 0.00 H new ATOM 0 HA ILE A 102 -4.891 -17.532 3.936 1.00 0.00 H new ATOM 0 HB ILE A 102 -3.431 -14.880 4.224 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.202 -16.142 2.073 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -5.686 -14.883 3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -2.155 -15.445 2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -1.754 -16.554 3.512 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -2.839 -17.088 2.205 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.067 -13.913 0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.941 -13.365 2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.449 -14.643 1.123 1.00 0.00 H new ATOM 1630 N VAL A 103 -2.610 -17.046 6.207 1.00 0.00 N ATOM 1631 CA VAL A 103 -1.523 -17.727 6.955 1.00 0.00 C ATOM 1632 C VAL A 103 -2.157 -18.819 7.813 1.00 0.00 C ATOM 1633 O VAL A 103 -1.550 -19.824 8.123 1.00 0.00 O ATOM 1634 CB VAL A 103 -0.906 -16.632 7.829 1.00 0.00 C ATOM 1635 CG1 VAL A 103 -0.174 -17.264 9.016 1.00 0.00 C ATOM 1636 CG2 VAL A 103 0.084 -15.812 6.998 1.00 0.00 C ATOM 0 H VAL A 103 -2.878 -16.133 6.573 1.00 0.00 H new ATOM 0 HA VAL A 103 -0.770 -18.191 6.318 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.698 -15.982 8.201 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.263 -16.479 9.634 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.879 -17.844 9.611 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.616 -17.919 8.649 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.523 -15.032 7.620 1.00 0.00 H new ATOM 0 HG22 VAL A 103 0.873 -16.465 6.623 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.438 -15.354 6.158 1.00 0.00 H new ATOM 1646 N SER A 104 -3.390 -18.612 8.193 1.00 0.00 N ATOM 1647 CA SER A 104 -4.104 -19.616 9.030 1.00 0.00 C ATOM 1648 C SER A 104 -4.768 -20.669 8.151 1.00 0.00 C ATOM 1649 O SER A 104 -5.064 -21.766 8.582 1.00 0.00 O ATOM 1650 CB SER A 104 -5.164 -18.813 9.773 1.00 0.00 C ATOM 1651 OG SER A 104 -5.611 -19.552 10.903 1.00 0.00 O ATOM 0 H SER A 104 -3.936 -17.783 7.957 1.00 0.00 H new ATOM 0 HA SER A 104 -3.429 -20.144 9.704 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.754 -17.855 10.091 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.003 -18.597 9.111 1.00 0.00 H new ATOM 0 HG SER A 104 -6.292 -19.036 11.383 1.00 0.00 H new ATOM 1657 N GLU A 105 -5.011 -20.333 6.927 1.00 0.00 N ATOM 1658 CA GLU A 105 -5.671 -21.298 5.995 1.00 0.00 C ATOM 1659 C GLU A 105 -5.153 -21.090 4.573 1.00 0.00 C ATOM 1660 O GLU A 105 -4.983 -22.029 3.819 1.00 0.00 O ATOM 1661 CB GLU A 105 -7.174 -20.978 6.050 1.00 0.00 C ATOM 1662 CG GLU A 105 -7.572 -20.488 7.447 1.00 0.00 C ATOM 1663 CD GLU A 105 -9.081 -20.647 7.635 1.00 0.00 C ATOM 1664 OE1 GLU A 105 -9.813 -20.280 6.731 1.00 0.00 O ATOM 1665 OE2 GLU A 105 -9.479 -21.131 8.682 1.00 0.00 O ATOM 0 H GLU A 105 -4.783 -19.426 6.519 1.00 0.00 H new ATOM 0 HA GLU A 105 -5.466 -22.330 6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.416 -20.216 5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -7.750 -21.867 5.793 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -7.038 -21.057 8.209 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -7.288 -19.443 7.572 1.00 0.00 H new ATOM 1672 N GLY A 106 -4.911 -19.865 4.198 1.00 0.00 N ATOM 1673 CA GLY A 106 -4.413 -19.595 2.819 1.00 0.00 C ATOM 1674 C GLY A 106 -5.543 -19.000 1.976 1.00 0.00 C ATOM 1675 O GLY A 106 -5.530 -19.077 0.763 1.00 0.00 O ATOM 0 H GLY A 106 -5.036 -19.040 4.785 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.569 -18.906 2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -4.052 -20.517 2.364 1.00 0.00 H new ATOM 1679 N SER A 107 -6.521 -18.404 2.605 1.00 0.00 N ATOM 1680 CA SER A 107 -7.644 -17.801 1.833 1.00 0.00 C ATOM 1681 C SER A 107 -7.666 -16.298 2.042 1.00 0.00 C ATOM 1682 O SER A 107 -7.602 -15.821 3.147 1.00 0.00 O ATOM 1683 CB SER A 107 -8.909 -18.437 2.407 1.00 0.00 C ATOM 1684 OG SER A 107 -8.620 -19.765 2.825 1.00 0.00 O ATOM 0 H SER A 107 -6.590 -18.309 3.618 1.00 0.00 H new ATOM 0 HA SER A 107 -7.552 -17.977 0.761 1.00 0.00 H new ATOM 0 HB2 SER A 107 -9.275 -17.850 3.249 1.00 0.00 H new ATOM 0 HB3 SER A 107 -9.699 -18.444 1.656 1.00 0.00 H new ATOM 0 HG SER A 107 -9.429 -20.175 3.195 1.00 0.00 H new ATOM 1690 N ASP A 108 -7.774 -15.551 0.985 1.00 0.00 N ATOM 1691 CA ASP A 108 -7.831 -14.072 1.121 1.00 0.00 C ATOM 1692 C ASP A 108 -9.299 -13.648 1.090 1.00 0.00 C ATOM 1693 O ASP A 108 -9.623 -12.483 0.975 1.00 0.00 O ATOM 1694 CB ASP A 108 -7.078 -13.528 -0.095 1.00 0.00 C ATOM 1695 CG ASP A 108 -7.843 -13.884 -1.371 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -8.950 -13.398 -1.530 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -7.306 -14.635 -2.169 1.00 0.00 O ATOM 0 H ASP A 108 -7.826 -15.901 0.028 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.391 -13.702 2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -6.968 -12.447 -0.014 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.073 -13.949 -0.132 1.00 0.00 H new ATOM 1702 N ASP A 109 -10.190 -14.604 1.180 1.00 0.00 N ATOM 1703 CA ASP A 109 -11.647 -14.276 1.147 1.00 0.00 C ATOM 1704 C ASP A 109 -12.134 -13.808 2.523 1.00 0.00 C ATOM 1705 O ASP A 109 -12.636 -14.585 3.310 1.00 0.00 O ATOM 1706 CB ASP A 109 -12.333 -15.586 0.759 1.00 0.00 C ATOM 1707 CG ASP A 109 -11.974 -15.947 -0.683 1.00 0.00 C ATOM 1708 OD1 ASP A 109 -10.974 -16.618 -0.874 1.00 0.00 O ATOM 1709 OD2 ASP A 109 -12.706 -15.545 -1.574 1.00 0.00 O ATOM 0 H ASP A 109 -9.971 -15.596 1.275 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.866 -13.468 0.449 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -12.022 -16.384 1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -13.414 -15.486 0.861 1.00 0.00 H new ATOM 1714 N ILE A 110 -11.997 -12.541 2.815 1.00 0.00 N ATOM 1715 CA ILE A 110 -12.461 -12.024 4.138 1.00 0.00 C ATOM 1716 C ILE A 110 -13.719 -11.170 3.955 1.00 0.00 C ATOM 1717 O ILE A 110 -13.906 -10.175 4.625 1.00 0.00 O ATOM 1718 CB ILE A 110 -11.307 -11.167 4.660 1.00 0.00 C ATOM 1719 CG1 ILE A 110 -10.887 -10.176 3.574 1.00 0.00 C ATOM 1720 CG2 ILE A 110 -10.120 -12.063 5.029 1.00 0.00 C ATOM 1721 CD1 ILE A 110 -10.353 -8.900 4.226 1.00 0.00 C ATOM 0 H ILE A 110 -11.585 -11.843 2.196 1.00 0.00 H new ATOM 0 HA ILE A 110 -12.715 -12.828 4.829 1.00 0.00 H new ATOM 0 HB ILE A 110 -11.630 -10.623 5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -10.121 -10.620 2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -11.737 -9.941 2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -9.301 -11.447 5.400 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -10.423 -12.768 5.803 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -9.790 -12.612 4.147 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.054 -8.194 3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -11.132 -8.453 4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.492 -9.142 4.849 1.00 0.00 H new ATOM 1733 N GLY A 111 -14.582 -11.552 3.053 1.00 0.00 N ATOM 1734 CA GLY A 111 -15.826 -10.761 2.827 1.00 0.00 C ATOM 1735 C GLY A 111 -15.464 -9.294 2.592 1.00 0.00 C ATOM 1736 O GLY A 111 -16.282 -8.409 2.750 1.00 0.00 O ATOM 0 H GLY A 111 -14.480 -12.378 2.463 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -16.368 -11.155 1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -16.487 -10.850 3.689 1.00 0.00 H new ATOM 1740 N GLU A 112 -14.244 -9.028 2.217 1.00 0.00 N ATOM 1741 CA GLU A 112 -13.829 -7.617 1.974 1.00 0.00 C ATOM 1742 C GLU A 112 -14.590 -7.027 0.782 1.00 0.00 C ATOM 1743 O GLU A 112 -15.356 -7.703 0.122 1.00 0.00 O ATOM 1744 CB GLU A 112 -12.334 -7.689 1.672 1.00 0.00 C ATOM 1745 CG GLU A 112 -12.109 -8.569 0.445 1.00 0.00 C ATOM 1746 CD GLU A 112 -10.643 -8.488 0.016 1.00 0.00 C ATOM 1747 OE1 GLU A 112 -9.906 -7.735 0.633 1.00 0.00 O ATOM 1748 OE2 GLU A 112 -10.281 -9.179 -0.922 1.00 0.00 O ATOM 0 H GLU A 112 -13.516 -9.726 2.068 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.044 -6.976 2.829 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -11.939 -6.689 1.494 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.797 -8.096 2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.375 -9.601 0.672 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.755 -8.245 -0.371 1.00 0.00 H new ATOM 1755 N ASN A 113 -14.381 -5.769 0.503 1.00 0.00 N ATOM 1756 CA ASN A 113 -15.083 -5.120 -0.643 1.00 0.00 C ATOM 1757 C ASN A 113 -14.112 -4.220 -1.402 1.00 0.00 C ATOM 1758 O ASN A 113 -14.067 -3.032 -1.185 1.00 0.00 O ATOM 1759 CB ASN A 113 -16.200 -4.294 -0.004 1.00 0.00 C ATOM 1760 CG ASN A 113 -17.481 -4.438 -0.832 1.00 0.00 C ATOM 1761 OD1 ASN A 113 -17.394 -4.625 -2.120 1.00 0.00 O flip ATOM 1762 ND2 ASN A 113 -18.571 -4.380 -0.299 1.00 0.00 N flip ATOM 0 H ASN A 113 -13.750 -5.159 1.023 1.00 0.00 H new ATOM 0 HA ASN A 113 -15.474 -5.843 -1.359 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -16.376 -4.630 1.018 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -15.906 -3.246 0.051 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -18.639 -4.234 0.708 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -19.418 -4.478 -0.859 1.00 0.00 H new ATOM 1769 N ILE A 114 -13.333 -4.778 -2.288 1.00 0.00 N ATOM 1770 CA ILE A 114 -12.363 -3.942 -3.052 1.00 0.00 C ATOM 1771 C ILE A 114 -13.099 -2.955 -3.951 1.00 0.00 C ATOM 1772 O ILE A 114 -13.007 -1.756 -3.772 1.00 0.00 O ATOM 1773 CB ILE A 114 -11.552 -4.927 -3.894 1.00 0.00 C ATOM 1774 CG1 ILE A 114 -11.150 -6.143 -3.045 1.00 0.00 C ATOM 1775 CG2 ILE A 114 -10.298 -4.224 -4.412 1.00 0.00 C ATOM 1776 CD1 ILE A 114 -10.834 -5.706 -1.612 1.00 0.00 C ATOM 0 H ILE A 114 -13.326 -5.772 -2.516 1.00 0.00 H new ATOM 0 HA ILE A 114 -11.727 -3.354 -2.390 1.00 0.00 H new ATOM 0 HB ILE A 114 -12.157 -5.271 -4.733 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -11.957 -6.875 -3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -10.280 -6.631 -3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -9.713 -4.920 -5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -10.587 -3.369 -5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -9.698 -3.881 -3.569 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -10.551 -6.576 -1.020 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -10.011 -4.991 -1.623 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -11.715 -5.239 -1.171 1.00 0.00 H new ATOM 1788 N ASP A 115 -13.833 -3.443 -4.914 1.00 0.00 N ATOM 1789 CA ASP A 115 -14.575 -2.515 -5.812 1.00 0.00 C ATOM 1790 C ASP A 115 -15.239 -1.431 -4.976 1.00 0.00 C ATOM 1791 O ASP A 115 -15.472 -0.327 -5.424 1.00 0.00 O ATOM 1792 CB ASP A 115 -15.623 -3.383 -6.511 1.00 0.00 C ATOM 1793 CG ASP A 115 -15.153 -3.711 -7.929 1.00 0.00 C ATOM 1794 OD1 ASP A 115 -14.740 -2.795 -8.622 1.00 0.00 O ATOM 1795 OD2 ASP A 115 -15.213 -4.872 -8.299 1.00 0.00 O ATOM 0 H ASP A 115 -13.950 -4.436 -5.116 1.00 0.00 H new ATOM 0 HA ASP A 115 -13.927 -2.018 -6.535 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -15.783 -4.303 -5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -16.579 -2.860 -6.545 1.00 0.00 H new ATOM 1800 N VAL A 116 -15.534 -1.754 -3.758 1.00 0.00 N ATOM 1801 CA VAL A 116 -16.179 -0.771 -2.848 1.00 0.00 C ATOM 1802 C VAL A 116 -15.130 0.013 -2.072 1.00 0.00 C ATOM 1803 O VAL A 116 -15.129 1.229 -2.052 1.00 0.00 O ATOM 1804 CB VAL A 116 -17.030 -1.618 -1.902 1.00 0.00 C ATOM 1805 CG1 VAL A 116 -17.445 -0.781 -0.691 1.00 0.00 C ATOM 1806 CG2 VAL A 116 -18.282 -2.102 -2.639 1.00 0.00 C ATOM 0 H VAL A 116 -15.355 -2.669 -3.344 1.00 0.00 H new ATOM 0 HA VAL A 116 -16.773 -0.036 -3.390 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.448 -2.476 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -18.051 -1.389 -0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.555 -0.436 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -18.025 0.079 -1.025 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -18.890 -2.706 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -18.860 -1.242 -2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -17.988 -2.703 -3.500 1.00 0.00 H new ATOM 1816 N PHE A 117 -14.241 -0.676 -1.437 1.00 0.00 N ATOM 1817 CA PHE A 117 -13.180 0.024 -0.651 1.00 0.00 C ATOM 1818 C PHE A 117 -12.335 0.889 -1.582 1.00 0.00 C ATOM 1819 O PHE A 117 -11.712 1.848 -1.168 1.00 0.00 O ATOM 1820 CB PHE A 117 -12.326 -1.079 -0.024 1.00 0.00 C ATOM 1821 CG PHE A 117 -12.832 -1.376 1.367 1.00 0.00 C ATOM 1822 CD1 PHE A 117 -12.710 -0.412 2.377 1.00 0.00 C ATOM 1823 CD2 PHE A 117 -13.425 -2.612 1.649 1.00 0.00 C ATOM 1824 CE1 PHE A 117 -13.180 -0.685 3.666 1.00 0.00 C ATOM 1825 CE2 PHE A 117 -13.895 -2.885 2.939 1.00 0.00 C ATOM 1826 CZ PHE A 117 -13.773 -1.922 3.947 1.00 0.00 C ATOM 0 H PHE A 117 -14.194 -1.695 -1.422 1.00 0.00 H new ATOM 0 HA PHE A 117 -13.602 0.678 0.112 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -12.367 -1.979 -0.638 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -11.282 -0.768 0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -12.253 0.542 2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -13.520 -3.355 0.871 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -13.086 0.058 4.444 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -14.352 -3.839 3.156 1.00 0.00 H new ATOM 0 HZ PHE A 117 -14.136 -2.133 4.942 1.00 0.00 H new ATOM 1836 N SER A 118 -12.332 0.576 -2.845 1.00 0.00 N ATOM 1837 CA SER A 118 -11.558 1.384 -3.802 1.00 0.00 C ATOM 1838 C SER A 118 -12.457 2.482 -4.316 1.00 0.00 C ATOM 1839 O SER A 118 -12.072 3.623 -4.414 1.00 0.00 O ATOM 1840 CB SER A 118 -11.165 0.413 -4.916 1.00 0.00 C ATOM 1841 OG SER A 118 -11.761 0.826 -6.139 1.00 0.00 O ATOM 0 H SER A 118 -12.838 -0.211 -3.251 1.00 0.00 H new ATOM 0 HA SER A 118 -10.672 1.852 -3.372 1.00 0.00 H new ATOM 0 HB2 SER A 118 -10.080 0.382 -5.020 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.490 -0.597 -4.664 1.00 0.00 H new ATOM 0 HG SER A 118 -11.508 0.204 -6.853 1.00 0.00 H new ATOM 1847 N ASP A 119 -13.673 2.135 -4.604 1.00 0.00 N ATOM 1848 CA ASP A 119 -14.648 3.148 -5.094 1.00 0.00 C ATOM 1849 C ASP A 119 -14.893 4.168 -3.999 1.00 0.00 C ATOM 1850 O ASP A 119 -15.130 5.330 -4.246 1.00 0.00 O ATOM 1851 CB ASP A 119 -15.925 2.369 -5.413 1.00 0.00 C ATOM 1852 CG ASP A 119 -15.835 1.803 -6.831 1.00 0.00 C ATOM 1853 OD1 ASP A 119 -14.799 1.251 -7.163 1.00 0.00 O ATOM 1854 OD2 ASP A 119 -16.803 1.934 -7.563 1.00 0.00 O ATOM 0 H ASP A 119 -14.040 1.187 -4.522 1.00 0.00 H new ATOM 0 HA ASP A 119 -14.292 3.687 -5.972 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -16.060 1.560 -4.695 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -16.794 3.021 -5.325 1.00 0.00 H new ATOM 1859 N THR A 120 -14.801 3.731 -2.787 1.00 0.00 N ATOM 1860 CA THR A 120 -14.988 4.653 -1.638 1.00 0.00 C ATOM 1861 C THR A 120 -13.836 5.643 -1.640 1.00 0.00 C ATOM 1862 O THR A 120 -14.002 6.839 -1.517 1.00 0.00 O ATOM 1863 CB THR A 120 -14.954 3.731 -0.406 1.00 0.00 C ATOM 1864 OG1 THR A 120 -16.281 3.503 0.046 1.00 0.00 O ATOM 1865 CG2 THR A 120 -14.133 4.359 0.726 1.00 0.00 C ATOM 0 H THR A 120 -14.602 2.763 -2.534 1.00 0.00 H new ATOM 0 HA THR A 120 -15.911 5.232 -1.664 1.00 0.00 H new ATOM 0 HB THR A 120 -14.486 2.788 -0.691 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.263 2.915 0.830 1.00 0.00 H new ATOM 0 HG21 THR A 120 -14.125 3.688 1.585 1.00 0.00 H new ATOM 0 HG22 THR A 120 -13.111 4.525 0.385 1.00 0.00 H new ATOM 0 HG23 THR A 120 -14.579 5.311 1.014 1.00 0.00 H new ATOM 1873 N ILE A 121 -12.671 5.118 -1.791 1.00 0.00 N ATOM 1874 CA ILE A 121 -11.450 5.954 -1.822 1.00 0.00 C ATOM 1875 C ILE A 121 -11.333 6.662 -3.180 1.00 0.00 C ATOM 1876 O ILE A 121 -10.908 7.797 -3.267 1.00 0.00 O ATOM 1877 CB ILE A 121 -10.328 4.933 -1.593 1.00 0.00 C ATOM 1878 CG1 ILE A 121 -9.648 5.230 -0.262 1.00 0.00 C ATOM 1879 CG2 ILE A 121 -9.294 4.972 -2.721 1.00 0.00 C ATOM 1880 CD1 ILE A 121 -8.441 4.305 -0.083 1.00 0.00 C ATOM 0 H ILE A 121 -12.503 4.118 -1.898 1.00 0.00 H new ATOM 0 HA ILE A 121 -11.432 6.753 -1.081 1.00 0.00 H new ATOM 0 HB ILE A 121 -10.768 3.936 -1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.328 6.272 -0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -10.353 5.088 0.557 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -8.514 4.236 -2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -9.781 4.742 -3.669 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -8.850 5.966 -2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -7.956 4.519 0.870 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -8.773 3.267 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -7.733 4.469 -0.895 1.00 0.00 H new ATOM 1892 N LYS A 122 -11.711 5.997 -4.238 1.00 0.00 N ATOM 1893 CA LYS A 122 -11.628 6.621 -5.578 1.00 0.00 C ATOM 1894 C LYS A 122 -12.626 7.765 -5.658 1.00 0.00 C ATOM 1895 O LYS A 122 -12.389 8.774 -6.292 1.00 0.00 O ATOM 1896 CB LYS A 122 -11.989 5.501 -6.550 1.00 0.00 C ATOM 1897 CG LYS A 122 -10.704 4.991 -7.198 1.00 0.00 C ATOM 1898 CD LYS A 122 -10.463 3.529 -6.822 1.00 0.00 C ATOM 1899 CE LYS A 122 -9.202 3.429 -5.956 1.00 0.00 C ATOM 1900 NZ LYS A 122 -8.568 2.143 -6.354 1.00 0.00 N ATOM 0 H LYS A 122 -12.075 5.044 -4.226 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.646 7.038 -5.801 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.496 4.692 -6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.678 5.867 -7.311 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -10.772 5.088 -8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -9.860 5.600 -6.876 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -11.322 3.135 -6.280 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -10.349 2.924 -7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -8.533 4.271 -6.133 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -9.450 3.436 -4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -8.348 1.587 -5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -9.222 1.606 -6.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -7.691 2.336 -6.878 1.00 0.00 H new ATOM 1914 N SER A 123 -13.732 7.622 -4.994 1.00 0.00 N ATOM 1915 CA SER A 123 -14.742 8.705 -4.996 1.00 0.00 C ATOM 1916 C SER A 123 -14.419 9.685 -3.880 1.00 0.00 C ATOM 1917 O SER A 123 -14.905 10.798 -3.842 1.00 0.00 O ATOM 1918 CB SER A 123 -16.065 8.012 -4.729 1.00 0.00 C ATOM 1919 OG SER A 123 -16.564 7.458 -5.940 1.00 0.00 O ATOM 0 H SER A 123 -13.981 6.797 -4.448 1.00 0.00 H new ATOM 0 HA SER A 123 -14.765 9.263 -5.932 1.00 0.00 H new ATOM 0 HB2 SER A 123 -15.932 7.227 -3.985 1.00 0.00 H new ATOM 0 HB3 SER A 123 -16.783 8.722 -4.319 1.00 0.00 H new ATOM 0 HG SER A 123 -17.418 7.009 -5.767 1.00 0.00 H new ATOM 1925 N PHE A 124 -13.585 9.272 -2.977 1.00 0.00 N ATOM 1926 CA PHE A 124 -13.197 10.168 -1.854 1.00 0.00 C ATOM 1927 C PHE A 124 -12.152 11.168 -2.338 1.00 0.00 C ATOM 1928 O PHE A 124 -11.677 12.004 -1.594 1.00 0.00 O ATOM 1929 CB PHE A 124 -12.602 9.241 -0.798 1.00 0.00 C ATOM 1930 CG PHE A 124 -13.592 9.058 0.327 1.00 0.00 C ATOM 1931 CD1 PHE A 124 -14.322 10.155 0.800 1.00 0.00 C ATOM 1932 CD2 PHE A 124 -13.778 7.793 0.897 1.00 0.00 C ATOM 1933 CE1 PHE A 124 -15.241 9.986 1.842 1.00 0.00 C ATOM 1934 CE2 PHE A 124 -14.698 7.625 1.940 1.00 0.00 C ATOM 1935 CZ PHE A 124 -15.428 8.722 2.413 1.00 0.00 C ATOM 0 H PHE A 124 -13.151 8.349 -2.965 1.00 0.00 H new ATOM 0 HA PHE A 124 -14.038 10.740 -1.462 1.00 0.00 H new ATOM 0 HB2 PHE A 124 -12.358 8.276 -1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 124 -11.672 9.660 -0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -14.176 11.131 0.361 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -13.213 6.948 0.533 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -15.806 10.831 2.206 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -14.844 6.649 2.379 1.00 0.00 H new ATOM 0 HZ PHE A 124 -16.136 8.593 3.219 1.00 0.00 H new