USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 675 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 70 HIS : no HD1:sc= -4.73! C(o=-3!,f=-14!) USER MOD Set 1.2: A 72 THR OG1 : rot 72:sc= 1.25 USER MOD Set 1.3: A 90 SER OG : rot -147:sc= 0.483 USER MOD Set 2.1: A 51 ASN :FLIP amide:sc= -5.46! C(o=-9.7!,f=-5.6!) USER MOD Set 2.2: A 89 LYS NZ :NH3+ -152:sc= -0.119 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0785) USER MOD Single : A 10 ASN : amide:sc= -1.91 K(o=-1.9,f=-5!) USER MOD Single : A 13 MET CE :methyl -154:sc= -6.31! (180deg=-8.97!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 175:sc= -7.55! (180deg=-7.76!) USER MOD Single : A 18 GLN :FLIP amide:sc= -4.67 F(o=-6.8!,f=-4.7) USER MOD Single : A 19 GLN : amide:sc= -0.33 K(o=-0.33,f=-3.3!) USER MOD Single : A 24 CYS SG : rot 85:sc= -1.61 USER MOD Single : A 26 THR OG1 : rot 80:sc= 1.3 USER MOD Single : A 27 GLN : amide:sc= -5.9! C(o=-5.9!,f=-9.8!) USER MOD Single : A 29 MET CE :methyl -133:sc= -9.92! (180deg=-13.7!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 72:sc= 0.308 USER MOD Single : A 33 ASN :FLIP amide:sc= -6.5! C(o=-9.4!,f=-6.5!) USER MOD Single : A 36 LYS NZ :NH3+ 168:sc= -0.0294 (180deg=-0.2) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= 0.211 (180deg=0.208) USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= -0.0296 (180deg=-0.29) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00318 USER MOD Single : A 55 HIS : no HD1:sc= -0.364 K(o=-0.36,f=-1.6) USER MOD Single : A 56 CYS SG : rot -70:sc= -0.383 USER MOD Single : A 61 SER OG : rot 63:sc= 0.178 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.417 F(o=-3.1,f=-0.42) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -14:sc=-0.000569 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -2.7 K(o=-2.7,f=-3.7!) USER MOD Single : A 77 TYR OH : rot 180:sc= -2.46! USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.12 K(o=-1.1,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 6 4.702 6.564 7.295 1.00 0.00 N ATOM 90 CA ALA A 6 4.413 5.159 6.994 1.00 0.00 C ATOM 91 C ALA A 6 4.601 4.258 8.212 1.00 0.00 C ATOM 92 O ALA A 6 5.704 3.778 8.474 1.00 0.00 O ATOM 93 CB ALA A 6 5.287 4.679 5.845 1.00 0.00 C ATOM 0 HA ALA A 6 3.364 5.097 6.703 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.064 3.634 5.630 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.087 5.282 4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.337 4.776 6.121 1.00 0.00 H new ATOM 99 N VAL A 7 3.519 4.023 8.948 1.00 0.00 N ATOM 100 CA VAL A 7 3.583 3.170 10.133 1.00 0.00 C ATOM 101 C VAL A 7 2.558 2.040 10.062 1.00 0.00 C ATOM 102 O VAL A 7 1.353 2.280 10.043 1.00 0.00 O ATOM 103 CB VAL A 7 3.368 3.981 11.429 1.00 0.00 C ATOM 104 CG1 VAL A 7 3.334 3.063 12.645 1.00 0.00 C ATOM 105 CG2 VAL A 7 4.458 5.031 11.585 1.00 0.00 C ATOM 0 H VAL A 7 2.595 4.406 8.749 1.00 0.00 H new ATOM 0 HA VAL A 7 4.583 2.738 10.154 1.00 0.00 H new ATOM 0 HB VAL A 7 2.405 4.487 11.359 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.182 3.658 13.546 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.517 2.349 12.539 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.279 2.525 12.721 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.292 5.594 12.503 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.431 4.542 11.630 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.433 5.711 10.733 1.00 0.00 H new ATOM 115 N ILE A 8 3.054 0.807 10.027 1.00 0.00 N ATOM 116 CA ILE A 8 2.194 -0.369 9.958 1.00 0.00 C ATOM 117 C ILE A 8 1.254 -0.438 11.160 1.00 0.00 C ATOM 118 O ILE A 8 1.511 0.171 12.198 1.00 0.00 O ATOM 119 CB ILE A 8 3.027 -1.666 9.891 1.00 0.00 C ATOM 120 CG1 ILE A 8 3.992 -1.614 8.704 1.00 0.00 C ATOM 121 CG2 ILE A 8 2.120 -2.884 9.785 1.00 0.00 C ATOM 122 CD1 ILE A 8 4.850 -2.853 8.566 1.00 0.00 C ATOM 0 H ILE A 8 4.052 0.596 10.045 1.00 0.00 H new ATOM 0 HA ILE A 8 1.602 -0.277 9.047 1.00 0.00 H new ATOM 0 HB ILE A 8 3.606 -1.751 10.810 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.420 -1.475 7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.640 -0.744 8.811 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.728 -3.788 9.739 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.468 -2.929 10.657 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.513 -2.809 8.882 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.509 -2.745 7.704 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.450 -2.983 9.467 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.211 -3.725 8.427 1.00 0.00 H new ATOM 134 N LYS A 9 0.162 -1.184 11.007 1.00 0.00 N ATOM 135 CA LYS A 9 -0.819 -1.334 12.076 1.00 0.00 C ATOM 136 C LYS A 9 -0.911 -2.791 12.518 1.00 0.00 C ATOM 137 O LYS A 9 -0.497 -3.141 13.621 1.00 0.00 O ATOM 138 CB LYS A 9 -2.189 -0.833 11.603 1.00 0.00 C ATOM 139 CG LYS A 9 -3.223 -0.679 12.714 1.00 0.00 C ATOM 140 CD LYS A 9 -3.640 -2.018 13.307 1.00 0.00 C ATOM 141 CE LYS A 9 -4.814 -1.860 14.261 1.00 0.00 C ATOM 142 NZ LYS A 9 -4.489 -0.953 15.396 1.00 0.00 N ATOM 0 H LYS A 9 -0.065 -1.693 10.153 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.500 -0.737 12.930 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.059 0.130 11.109 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.577 -1.525 10.856 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.814 -0.047 13.502 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.102 -0.169 12.320 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.911 -2.705 12.505 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.797 -2.462 13.836 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.673 -1.468 13.717 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.101 -2.838 14.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.254 -0.990 16.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.597 -1.255 15.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.389 0.021 15.045 1.00 0.00 H new ATOM 156 N ASN A 10 -1.460 -3.637 11.650 1.00 0.00 N ATOM 157 CA ASN A 10 -1.610 -5.054 11.955 1.00 0.00 C ATOM 158 C ASN A 10 -1.549 -5.895 10.683 1.00 0.00 C ATOM 159 O ASN A 10 -1.884 -5.422 9.597 1.00 0.00 O ATOM 160 CB ASN A 10 -2.931 -5.298 12.689 1.00 0.00 C ATOM 161 CG ASN A 10 -3.131 -6.754 13.067 1.00 0.00 C ATOM 162 OD1 ASN A 10 -3.215 -7.627 12.204 1.00 0.00 O ATOM 163 ND2 ASN A 10 -3.208 -7.020 14.365 1.00 0.00 N ATOM 0 H ASN A 10 -1.808 -3.364 10.731 1.00 0.00 H new ATOM 0 HA ASN A 10 -0.785 -5.354 12.601 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -2.959 -4.686 13.590 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.758 -4.974 12.057 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -3.342 -7.980 14.682 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.133 -6.264 15.046 1.00 0.00 H new ATOM 170 N ALA A 11 -1.122 -7.144 10.829 1.00 0.00 N ATOM 171 CA ALA A 11 -1.016 -8.057 9.696 1.00 0.00 C ATOM 172 C ALA A 11 -1.248 -9.498 10.137 1.00 0.00 C ATOM 173 O ALA A 11 -1.102 -9.828 11.314 1.00 0.00 O ATOM 174 CB ALA A 11 0.345 -7.918 9.032 1.00 0.00 C ATOM 0 H ALA A 11 -0.843 -7.549 11.723 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.787 -7.795 8.972 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.410 -8.605 8.188 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.474 -6.895 8.678 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.127 -8.154 9.753 1.00 0.00 H new ATOM 180 N ASP A 12 -1.607 -10.355 9.186 1.00 0.00 N ATOM 181 CA ASP A 12 -1.856 -11.761 9.482 1.00 0.00 C ATOM 182 C ASP A 12 -1.547 -12.636 8.271 1.00 0.00 C ATOM 183 O ASP A 12 -2.451 -13.204 7.656 1.00 0.00 O ATOM 184 CB ASP A 12 -3.311 -11.960 9.917 1.00 0.00 C ATOM 185 CG ASP A 12 -3.617 -13.403 10.272 1.00 0.00 C ATOM 186 OD1 ASP A 12 -2.974 -13.937 11.200 1.00 0.00 O ATOM 187 OD2 ASP A 12 -4.501 -13.999 9.620 1.00 0.00 O ATOM 0 H ASP A 12 -1.732 -10.101 8.206 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.197 -12.059 10.297 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.520 -11.325 10.778 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.974 -11.638 9.115 1.00 0.00 H new ATOM 192 N MET A 13 -0.267 -12.741 7.932 1.00 0.00 N ATOM 193 CA MET A 13 0.156 -13.548 6.793 1.00 0.00 C ATOM 194 C MET A 13 1.665 -13.784 6.806 1.00 0.00 C ATOM 195 O MET A 13 2.362 -13.370 7.733 1.00 0.00 O ATOM 196 CB MET A 13 -0.270 -12.874 5.487 1.00 0.00 C ATOM 197 CG MET A 13 0.165 -11.424 5.376 1.00 0.00 C ATOM 198 SD MET A 13 -0.428 -10.640 3.863 1.00 0.00 S ATOM 199 CE MET A 13 0.220 -8.982 4.064 1.00 0.00 C ATOM 0 H MET A 13 0.495 -12.278 8.428 1.00 0.00 H new ATOM 0 HA MET A 13 -0.330 -14.521 6.867 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.145 -13.433 4.648 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.355 -12.926 5.399 1.00 0.00 H new ATOM 0 HG2 MET A 13 -0.206 -10.870 6.238 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.253 -11.371 5.407 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.400 -8.279 3.508 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.214 -8.714 5.121 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.242 -8.942 3.686 1.00 0.00 H new ATOM 209 N SER A 14 2.160 -14.461 5.773 1.00 0.00 N ATOM 210 CA SER A 14 3.584 -14.772 5.657 1.00 0.00 C ATOM 211 C SER A 14 4.453 -13.522 5.795 1.00 0.00 C ATOM 212 O SER A 14 5.633 -13.620 6.127 1.00 0.00 O ATOM 213 CB SER A 14 3.869 -15.453 4.317 1.00 0.00 C ATOM 214 OG SER A 14 3.141 -16.663 4.196 1.00 0.00 O ATOM 0 H SER A 14 1.593 -14.807 4.999 1.00 0.00 H new ATOM 0 HA SER A 14 3.837 -15.448 6.473 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.603 -14.782 3.500 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.936 -15.656 4.228 1.00 0.00 H new ATOM 0 HG SER A 14 3.339 -17.079 3.331 1.00 0.00 H new ATOM 220 N GLU A 15 3.860 -12.354 5.533 1.00 0.00 N ATOM 221 CA GLU A 15 4.563 -11.067 5.618 1.00 0.00 C ATOM 222 C GLU A 15 5.243 -10.715 4.297 1.00 0.00 C ATOM 223 O GLU A 15 5.622 -9.565 4.074 1.00 0.00 O ATOM 224 CB GLU A 15 5.597 -11.057 6.753 1.00 0.00 C ATOM 225 CG GLU A 15 5.028 -11.465 8.102 1.00 0.00 C ATOM 226 CD GLU A 15 6.071 -11.450 9.203 1.00 0.00 C ATOM 227 OE1 GLU A 15 6.648 -10.373 9.457 1.00 0.00 O ATOM 228 OE2 GLU A 15 6.310 -12.515 9.808 1.00 0.00 O ATOM 0 H GLU A 15 2.882 -12.272 5.257 1.00 0.00 H new ATOM 0 HA GLU A 15 3.807 -10.312 5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.414 -11.731 6.494 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.023 -10.057 6.836 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.214 -10.790 8.368 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.601 -12.465 8.025 1.00 0.00 H new ATOM 235 N ASP A 16 5.382 -11.700 3.415 1.00 0.00 N ATOM 236 CA ASP A 16 6.004 -11.467 2.121 1.00 0.00 C ATOM 237 C ASP A 16 5.234 -10.399 1.359 1.00 0.00 C ATOM 238 O ASP A 16 5.794 -9.688 0.523 1.00 0.00 O ATOM 239 CB ASP A 16 6.058 -12.764 1.310 1.00 0.00 C ATOM 240 CG ASP A 16 6.878 -13.838 1.996 1.00 0.00 C ATOM 241 OD1 ASP A 16 6.520 -14.228 3.127 1.00 0.00 O ATOM 242 OD2 ASP A 16 7.879 -14.293 1.401 1.00 0.00 O ATOM 0 H ASP A 16 5.074 -12.660 3.573 1.00 0.00 H new ATOM 0 HA ASP A 16 7.025 -11.120 2.281 1.00 0.00 H new ATOM 0 HB2 ASP A 16 5.045 -13.131 1.149 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.483 -12.558 0.327 1.00 0.00 H new ATOM 247 N MET A 17 3.948 -10.277 1.668 1.00 0.00 N ATOM 248 CA MET A 17 3.103 -9.281 1.034 1.00 0.00 C ATOM 249 C MET A 17 3.265 -7.947 1.721 1.00 0.00 C ATOM 250 O MET A 17 3.248 -6.909 1.069 1.00 0.00 O ATOM 251 CB MET A 17 1.639 -9.720 1.049 1.00 0.00 C ATOM 252 CG MET A 17 1.285 -10.779 0.012 1.00 0.00 C ATOM 253 SD MET A 17 2.286 -12.276 0.146 1.00 0.00 S ATOM 254 CE MET A 17 3.698 -11.844 -0.871 1.00 0.00 C ATOM 0 H MET A 17 3.470 -10.859 2.356 1.00 0.00 H new ATOM 0 HA MET A 17 3.413 -9.178 -0.006 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.399 -10.106 2.040 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.009 -8.845 0.886 1.00 0.00 H new ATOM 0 HG2 MET A 17 0.233 -11.044 0.118 1.00 0.00 H new ATOM 0 HG3 MET A 17 1.408 -10.356 -0.985 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.444 -12.636 -0.813 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.378 -11.722 -1.906 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.132 -10.910 -0.513 1.00 0.00 H new ATOM 264 N GLN A 18 3.467 -7.967 3.028 1.00 0.00 N ATOM 265 CA GLN A 18 3.687 -6.732 3.754 1.00 0.00 C ATOM 266 C GLN A 18 4.963 -6.089 3.229 1.00 0.00 C ATOM 267 O GLN A 18 5.150 -4.874 3.313 1.00 0.00 O ATOM 268 CB GLN A 18 3.787 -7.014 5.246 1.00 0.00 C ATOM 269 CG GLN A 18 2.573 -7.744 5.777 1.00 0.00 C ATOM 270 CD GLN A 18 2.720 -8.168 7.220 1.00 0.00 C ATOM 271 OE1 GLN A 18 2.474 -9.444 7.483 1.00 0.00 O flip ATOM 272 NE2 GLN A 18 3.035 -7.356 8.091 1.00 0.00 N flip ATOM 0 H GLN A 18 3.483 -8.812 3.599 1.00 0.00 H new ATOM 0 HA GLN A 18 2.851 -6.049 3.604 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.680 -7.608 5.442 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.906 -6.073 5.784 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.699 -7.100 5.681 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.389 -8.625 5.163 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.215 -6.384 7.841 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.116 -7.656 9.063 1.00 0.00 H new ATOM 281 N GLN A 19 5.825 -6.927 2.651 1.00 0.00 N ATOM 282 CA GLN A 19 7.076 -6.460 2.070 1.00 0.00 C ATOM 283 C GLN A 19 6.822 -5.901 0.678 1.00 0.00 C ATOM 284 O GLN A 19 7.166 -4.757 0.382 1.00 0.00 O ATOM 285 CB GLN A 19 8.100 -7.595 2.006 1.00 0.00 C ATOM 286 CG GLN A 19 8.472 -8.157 3.369 1.00 0.00 C ATOM 287 CD GLN A 19 9.483 -9.283 3.278 1.00 0.00 C ATOM 288 OE1 GLN A 19 9.231 -10.311 2.649 1.00 0.00 O ATOM 289 NE2 GLN A 19 10.637 -9.095 3.907 1.00 0.00 N ATOM 0 H GLN A 19 5.676 -7.933 2.575 1.00 0.00 H new ATOM 0 HA GLN A 19 7.481 -5.671 2.703 1.00 0.00 H new ATOM 0 HB2 GLN A 19 7.701 -8.399 1.388 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.002 -7.232 1.513 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.878 -7.358 3.989 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.573 -8.520 3.866 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.805 -8.228 4.417 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.356 -9.818 3.880 1.00 0.00 H new ATOM 298 N ASP A 20 6.190 -6.709 -0.164 1.00 0.00 N ATOM 299 CA ASP A 20 5.859 -6.286 -1.517 1.00 0.00 C ATOM 300 C ASP A 20 4.800 -5.192 -1.474 1.00 0.00 C ATOM 301 O ASP A 20 4.615 -4.452 -2.435 1.00 0.00 O ATOM 302 CB ASP A 20 5.362 -7.471 -2.348 1.00 0.00 C ATOM 303 CG ASP A 20 6.437 -8.519 -2.560 1.00 0.00 C ATOM 304 OD1 ASP A 20 6.951 -9.054 -1.555 1.00 0.00 O ATOM 305 OD2 ASP A 20 6.765 -8.807 -3.730 1.00 0.00 O ATOM 0 H ASP A 20 5.897 -7.659 0.066 1.00 0.00 H new ATOM 0 HA ASP A 20 6.760 -5.892 -1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.507 -7.927 -1.850 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.013 -7.112 -3.316 1.00 0.00 H new ATOM 310 N ALA A 21 4.121 -5.085 -0.336 1.00 0.00 N ATOM 311 CA ALA A 21 3.097 -4.068 -0.150 1.00 0.00 C ATOM 312 C ALA A 21 3.754 -2.727 0.110 1.00 0.00 C ATOM 313 O ALA A 21 3.434 -1.727 -0.534 1.00 0.00 O ATOM 314 CB ALA A 21 2.170 -4.441 0.998 1.00 0.00 C ATOM 0 H ALA A 21 4.263 -5.692 0.471 1.00 0.00 H new ATOM 0 HA ALA A 21 2.497 -4.001 -1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.412 -3.667 1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.685 -5.393 0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.748 -4.531 1.918 1.00 0.00 H new ATOM 320 N VAL A 22 4.698 -2.719 1.044 1.00 0.00 N ATOM 321 CA VAL A 22 5.426 -1.504 1.371 1.00 0.00 C ATOM 322 C VAL A 22 6.195 -1.015 0.150 1.00 0.00 C ATOM 323 O VAL A 22 6.412 0.184 -0.021 1.00 0.00 O ATOM 324 CB VAL A 22 6.405 -1.722 2.541 1.00 0.00 C ATOM 325 CG1 VAL A 22 7.151 -0.436 2.869 1.00 0.00 C ATOM 326 CG2 VAL A 22 5.666 -2.243 3.765 1.00 0.00 C ATOM 0 H VAL A 22 4.975 -3.538 1.585 1.00 0.00 H new ATOM 0 HA VAL A 22 4.696 -0.754 1.676 1.00 0.00 H new ATOM 0 HB VAL A 22 7.138 -2.470 2.238 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.836 -0.614 3.698 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.715 -0.110 1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.436 0.338 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.373 -2.391 4.581 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.909 -1.520 4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.186 -3.192 3.524 1.00 0.00 H new ATOM 336 N ASP A 23 6.588 -1.953 -0.711 1.00 0.00 N ATOM 337 CA ASP A 23 7.314 -1.605 -1.928 1.00 0.00 C ATOM 338 C ASP A 23 6.338 -1.222 -3.013 1.00 0.00 C ATOM 339 O ASP A 23 6.513 -0.206 -3.680 1.00 0.00 O ATOM 340 CB ASP A 23 8.211 -2.757 -2.384 1.00 0.00 C ATOM 341 CG ASP A 23 9.260 -3.117 -1.351 1.00 0.00 C ATOM 342 OD1 ASP A 23 10.081 -2.240 -1.009 1.00 0.00 O ATOM 343 OD2 ASP A 23 9.260 -4.275 -0.883 1.00 0.00 O ATOM 0 H ASP A 23 6.417 -2.951 -0.589 1.00 0.00 H new ATOM 0 HA ASP A 23 7.959 -0.752 -1.716 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.596 -3.632 -2.593 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.703 -2.483 -3.317 1.00 0.00 H new ATOM 348 N CYS A 24 5.283 -2.002 -3.156 1.00 0.00 N ATOM 349 CA CYS A 24 4.265 -1.676 -4.131 1.00 0.00 C ATOM 350 C CYS A 24 3.576 -0.387 -3.703 1.00 0.00 C ATOM 351 O CYS A 24 2.912 0.264 -4.502 1.00 0.00 O ATOM 352 CB CYS A 24 3.250 -2.812 -4.280 1.00 0.00 C ATOM 353 SG CYS A 24 3.890 -4.261 -5.151 1.00 0.00 S ATOM 0 H CYS A 24 5.111 -2.852 -2.618 1.00 0.00 H new ATOM 0 HA CYS A 24 4.733 -1.538 -5.106 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.913 -3.116 -3.289 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.376 -2.437 -4.813 1.00 0.00 H new ATOM 0 HG CYS A 24 4.506 -5.036 -4.309 1.00 0.00 H new ATOM 359 N ALA A 25 3.772 -0.008 -2.436 1.00 0.00 N ATOM 360 CA ALA A 25 3.199 1.219 -1.906 1.00 0.00 C ATOM 361 C ALA A 25 4.142 2.382 -2.173 1.00 0.00 C ATOM 362 O ALA A 25 3.708 3.488 -2.497 1.00 0.00 O ATOM 363 CB ALA A 25 2.923 1.081 -0.417 1.00 0.00 C ATOM 0 H ALA A 25 4.325 -0.539 -1.763 1.00 0.00 H new ATOM 0 HA ALA A 25 2.250 1.413 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.495 2.009 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.221 0.263 -0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.855 0.871 0.108 1.00 0.00 H new ATOM 369 N THR A 26 5.439 2.114 -2.055 1.00 0.00 N ATOM 370 CA THR A 26 6.453 3.130 -2.304 1.00 0.00 C ATOM 371 C THR A 26 6.522 3.422 -3.795 1.00 0.00 C ATOM 372 O THR A 26 6.583 4.579 -4.217 1.00 0.00 O ATOM 373 CB THR A 26 7.817 2.664 -1.791 1.00 0.00 C ATOM 374 OG1 THR A 26 7.766 2.404 -0.400 1.00 0.00 O ATOM 375 CG2 THR A 26 8.921 3.673 -2.029 1.00 0.00 C ATOM 0 H THR A 26 5.811 1.202 -1.789 1.00 0.00 H new ATOM 0 HA THR A 26 6.182 4.041 -1.771 1.00 0.00 H new ATOM 0 HB THR A 26 8.045 1.759 -2.354 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.361 1.525 -0.246 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.862 3.281 -1.642 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.018 3.860 -3.098 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.679 4.605 -1.518 1.00 0.00 H new ATOM 383 N GLN A 27 6.485 2.359 -4.591 1.00 0.00 N ATOM 384 CA GLN A 27 6.515 2.493 -6.040 1.00 0.00 C ATOM 385 C GLN A 27 5.189 3.036 -6.524 1.00 0.00 C ATOM 386 O GLN A 27 5.143 3.853 -7.444 1.00 0.00 O ATOM 387 CB GLN A 27 6.821 1.149 -6.707 1.00 0.00 C ATOM 388 CG GLN A 27 8.275 0.712 -6.583 1.00 0.00 C ATOM 389 CD GLN A 27 8.752 0.620 -5.146 1.00 0.00 C ATOM 390 OE1 GLN A 27 8.847 1.626 -4.443 1.00 0.00 O ATOM 391 NE2 GLN A 27 9.056 -0.592 -4.699 1.00 0.00 N ATOM 0 H GLN A 27 6.434 1.397 -4.256 1.00 0.00 H new ATOM 0 HA GLN A 27 7.309 3.188 -6.313 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.183 0.383 -6.266 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.560 1.212 -7.763 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.398 -0.259 -7.062 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.907 1.417 -7.124 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.963 -1.400 -5.314 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.382 -0.715 -3.740 1.00 0.00 H new ATOM 400 N ALA A 28 4.109 2.608 -5.885 1.00 0.00 N ATOM 401 CA ALA A 28 2.796 3.096 -6.251 1.00 0.00 C ATOM 402 C ALA A 28 2.663 4.563 -5.859 1.00 0.00 C ATOM 403 O ALA A 28 1.854 5.297 -6.420 1.00 0.00 O ATOM 404 CB ALA A 28 1.700 2.269 -5.601 1.00 0.00 C ATOM 0 H ALA A 28 4.119 1.932 -5.121 1.00 0.00 H new ATOM 0 HA ALA A 28 2.683 3.003 -7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.726 2.660 -5.895 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.787 1.232 -5.924 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.800 2.321 -4.517 1.00 0.00 H new ATOM 410 N MET A 29 3.476 4.987 -4.892 1.00 0.00 N ATOM 411 CA MET A 29 3.455 6.362 -4.432 1.00 0.00 C ATOM 412 C MET A 29 4.275 7.248 -5.360 1.00 0.00 C ATOM 413 O MET A 29 3.971 8.425 -5.544 1.00 0.00 O ATOM 414 CB MET A 29 3.991 6.456 -3.003 1.00 0.00 C ATOM 415 CG MET A 29 4.086 7.880 -2.486 1.00 0.00 C ATOM 416 SD MET A 29 4.774 7.975 -0.823 1.00 0.00 S ATOM 417 CE MET A 29 3.580 7.002 0.089 1.00 0.00 C ATOM 0 H MET A 29 4.155 4.393 -4.416 1.00 0.00 H new ATOM 0 HA MET A 29 2.422 6.711 -4.441 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.344 5.880 -2.342 1.00 0.00 H new ATOM 0 HB3 MET A 29 4.978 5.996 -2.962 1.00 0.00 H new ATOM 0 HG2 MET A 29 4.705 8.467 -3.164 1.00 0.00 H new ATOM 0 HG3 MET A 29 3.093 8.330 -2.490 1.00 0.00 H new ATOM 0 HE1 MET A 29 3.294 7.534 0.996 1.00 0.00 H new ATOM 0 HE2 MET A 29 2.697 6.837 -0.528 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.021 6.041 0.355 1.00 0.00 H new ATOM 427 N GLU A 30 5.306 6.674 -5.952 1.00 0.00 N ATOM 428 CA GLU A 30 6.150 7.408 -6.870 1.00 0.00 C ATOM 429 C GLU A 30 5.602 7.276 -8.284 1.00 0.00 C ATOM 430 O GLU A 30 5.727 8.185 -9.104 1.00 0.00 O ATOM 431 CB GLU A 30 7.585 6.883 -6.805 1.00 0.00 C ATOM 432 CG GLU A 30 8.525 7.570 -7.776 1.00 0.00 C ATOM 433 CD GLU A 30 9.943 7.041 -7.688 1.00 0.00 C ATOM 434 OE1 GLU A 30 10.142 5.830 -7.921 1.00 0.00 O ATOM 435 OE2 GLU A 30 10.856 7.838 -7.386 1.00 0.00 O ATOM 0 H GLU A 30 5.577 5.701 -5.812 1.00 0.00 H new ATOM 0 HA GLU A 30 6.156 8.461 -6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.965 7.012 -5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.582 5.813 -7.011 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.154 7.436 -8.792 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.528 8.642 -7.577 1.00 0.00 H new ATOM 442 N LYS A 31 4.993 6.128 -8.551 1.00 0.00 N ATOM 443 CA LYS A 31 4.414 5.847 -9.860 1.00 0.00 C ATOM 444 C LYS A 31 2.944 6.265 -9.940 1.00 0.00 C ATOM 445 O LYS A 31 2.430 6.538 -11.025 1.00 0.00 O ATOM 446 CB LYS A 31 4.554 4.361 -10.192 1.00 0.00 C ATOM 447 CG LYS A 31 5.997 3.896 -10.306 1.00 0.00 C ATOM 448 CD LYS A 31 6.079 2.414 -10.640 1.00 0.00 C ATOM 449 CE LYS A 31 7.521 1.951 -10.762 1.00 0.00 C ATOM 450 NZ LYS A 31 7.612 0.501 -11.093 1.00 0.00 N ATOM 0 H LYS A 31 4.886 5.372 -7.875 1.00 0.00 H new ATOM 0 HA LYS A 31 4.965 6.437 -10.592 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.052 3.776 -9.421 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.040 4.157 -11.131 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.507 4.473 -11.078 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.518 4.088 -9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.574 1.837 -9.865 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.553 2.221 -11.575 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.025 2.532 -11.534 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.045 2.143 -9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.612 0.224 -11.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.153 -0.056 -10.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.134 0.321 -11.999 1.00 0.00 H new ATOM 464 N TYR A 32 2.264 6.302 -8.794 1.00 0.00 N ATOM 465 CA TYR A 32 0.849 6.673 -8.756 1.00 0.00 C ATOM 466 C TYR A 32 0.588 7.713 -7.671 1.00 0.00 C ATOM 467 O TYR A 32 1.413 8.597 -7.460 1.00 0.00 O ATOM 468 CB TYR A 32 -0.013 5.415 -8.569 1.00 0.00 C ATOM 469 CG TYR A 32 0.236 4.346 -9.609 1.00 0.00 C ATOM 470 CD1 TYR A 32 1.460 3.697 -9.685 1.00 0.00 C ATOM 471 CD2 TYR A 32 -0.756 3.986 -10.513 1.00 0.00 C ATOM 472 CE1 TYR A 32 1.690 2.718 -10.633 1.00 0.00 C ATOM 473 CE2 TYR A 32 -0.533 3.009 -11.464 1.00 0.00 C ATOM 474 CZ TYR A 32 0.693 2.378 -11.520 1.00 0.00 C ATOM 475 OH TYR A 32 0.918 1.404 -12.466 1.00 0.00 O ATOM 0 H TYR A 32 2.667 6.081 -7.884 1.00 0.00 H new ATOM 0 HA TYR A 32 0.573 7.132 -9.705 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.178 4.998 -7.580 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.065 5.699 -8.598 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.245 3.961 -8.992 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.717 4.478 -10.472 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.648 2.221 -10.678 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.314 2.740 -12.160 1.00 0.00 H new ATOM 0 HH TYR A 32 0.953 0.527 -12.030 1.00 0.00 H new ATOM 485 N ASN A 33 -0.573 7.609 -7.024 1.00 0.00 N ATOM 486 CA ASN A 33 -1.022 8.529 -5.967 1.00 0.00 C ATOM 487 C ASN A 33 -2.520 8.769 -6.101 1.00 0.00 C ATOM 488 O ASN A 33 -3.147 9.343 -5.211 1.00 0.00 O ATOM 489 CB ASN A 33 -0.292 9.882 -5.999 1.00 0.00 C ATOM 490 CG ASN A 33 1.109 9.843 -5.403 1.00 0.00 C ATOM 491 OD1 ASN A 33 1.578 8.658 -5.022 1.00 0.00 O flip ATOM 492 ND2 ASN A 33 1.772 10.874 -5.297 1.00 0.00 N flip ATOM 0 H ASN A 33 -1.246 6.868 -7.221 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.787 8.054 -5.014 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.227 10.224 -7.032 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.886 10.617 -5.456 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.380 11.766 -5.600 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.714 10.837 -4.907 1.00 0.00 H new ATOM 499 N ILE A 34 -3.090 8.330 -7.224 1.00 0.00 N ATOM 500 CA ILE A 34 -4.520 8.506 -7.477 1.00 0.00 C ATOM 501 C ILE A 34 -5.352 8.085 -6.272 1.00 0.00 C ATOM 502 O ILE A 34 -6.451 8.596 -6.059 1.00 0.00 O ATOM 503 CB ILE A 34 -5.002 7.678 -8.684 1.00 0.00 C ATOM 504 CG1 ILE A 34 -3.935 7.652 -9.782 1.00 0.00 C ATOM 505 CG2 ILE A 34 -6.322 8.233 -9.203 1.00 0.00 C ATOM 506 CD1 ILE A 34 -4.454 7.310 -11.166 1.00 0.00 C ATOM 0 H ILE A 34 -2.585 7.852 -7.970 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.655 9.568 -7.682 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.168 6.649 -8.365 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.451 8.628 -9.822 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.169 6.927 -9.507 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.655 7.642 -10.056 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.072 8.186 -8.414 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.185 9.269 -9.511 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.627 7.316 -11.876 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.911 6.321 -11.149 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.197 8.048 -11.468 1.00 0.00 H new ATOM 518 N GLU A 35 -4.826 7.120 -5.517 1.00 0.00 N ATOM 519 CA GLU A 35 -5.504 6.565 -4.341 1.00 0.00 C ATOM 520 C GLU A 35 -6.382 5.392 -4.760 1.00 0.00 C ATOM 521 O GLU A 35 -6.534 4.419 -4.021 1.00 0.00 O ATOM 522 CB GLU A 35 -6.342 7.621 -3.607 1.00 0.00 C ATOM 523 CG GLU A 35 -5.555 8.862 -3.219 1.00 0.00 C ATOM 524 CD GLU A 35 -6.403 9.887 -2.493 1.00 0.00 C ATOM 525 OE1 GLU A 35 -6.946 9.555 -1.419 1.00 0.00 O ATOM 526 OE2 GLU A 35 -6.524 11.023 -2.998 1.00 0.00 O ATOM 0 H GLU A 35 -3.916 6.699 -5.703 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.738 6.221 -3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.178 7.915 -4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.767 7.175 -2.708 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.718 8.573 -2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.133 9.315 -4.116 1.00 0.00 H new ATOM 533 N LYS A 36 -6.937 5.481 -5.966 1.00 0.00 N ATOM 534 CA LYS A 36 -7.774 4.422 -6.508 1.00 0.00 C ATOM 535 C LYS A 36 -6.930 3.467 -7.347 1.00 0.00 C ATOM 536 O LYS A 36 -7.292 2.306 -7.541 1.00 0.00 O ATOM 537 CB LYS A 36 -8.902 5.015 -7.355 1.00 0.00 C ATOM 538 CG LYS A 36 -9.806 5.963 -6.586 1.00 0.00 C ATOM 539 CD LYS A 36 -10.901 6.535 -7.472 1.00 0.00 C ATOM 540 CE LYS A 36 -11.793 5.441 -8.036 1.00 0.00 C ATOM 541 NZ LYS A 36 -12.455 4.653 -6.960 1.00 0.00 N ATOM 0 H LYS A 36 -6.819 6.282 -6.587 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.217 3.868 -5.681 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.468 5.547 -8.202 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.504 4.203 -7.763 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.256 5.435 -5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.211 6.777 -6.170 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.505 7.237 -6.898 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.451 7.097 -8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.552 5.887 -8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.199 4.774 -8.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.202 4.059 -7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.752 4.048 -6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.875 5.301 -6.263 1.00 0.00 H new ATOM 555 N ASP A 37 -5.782 3.958 -7.817 1.00 0.00 N ATOM 556 CA ASP A 37 -4.863 3.152 -8.599 1.00 0.00 C ATOM 557 C ASP A 37 -3.869 2.484 -7.669 1.00 0.00 C ATOM 558 O ASP A 37 -3.322 1.432 -7.976 1.00 0.00 O ATOM 559 CB ASP A 37 -4.145 4.003 -9.644 1.00 0.00 C ATOM 560 CG ASP A 37 -5.082 4.461 -10.742 1.00 0.00 C ATOM 561 OD1 ASP A 37 -6.113 5.088 -10.418 1.00 0.00 O ATOM 562 OD2 ASP A 37 -4.786 4.194 -11.925 1.00 0.00 O ATOM 0 H ASP A 37 -5.471 4.918 -7.664 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.425 2.385 -9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.700 4.873 -9.160 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.328 3.429 -10.081 1.00 0.00 H new ATOM 567 N ILE A 38 -3.676 3.093 -6.505 1.00 0.00 N ATOM 568 CA ILE A 38 -2.791 2.544 -5.493 1.00 0.00 C ATOM 569 C ILE A 38 -3.418 1.281 -4.947 1.00 0.00 C ATOM 570 O ILE A 38 -2.746 0.289 -4.654 1.00 0.00 O ATOM 571 CB ILE A 38 -2.593 3.530 -4.320 1.00 0.00 C ATOM 572 CG1 ILE A 38 -2.032 4.851 -4.824 1.00 0.00 C ATOM 573 CG2 ILE A 38 -1.671 2.930 -3.267 1.00 0.00 C ATOM 574 CD1 ILE A 38 -0.683 4.699 -5.469 1.00 0.00 C ATOM 0 H ILE A 38 -4.124 3.971 -6.241 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.822 2.348 -5.951 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.564 3.718 -3.862 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.727 5.286 -5.542 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.955 5.550 -3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.543 3.639 -2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.108 2.008 -2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.701 2.713 -3.714 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.331 5.673 -5.810 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.023 4.291 -4.745 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.761 4.023 -6.320 1.00 0.00 H new ATOM 586 N ALA A 39 -4.731 1.338 -4.839 1.00 0.00 N ATOM 587 CA ALA A 39 -5.505 0.215 -4.342 1.00 0.00 C ATOM 588 C ALA A 39 -5.770 -0.767 -5.462 1.00 0.00 C ATOM 589 O ALA A 39 -5.860 -1.973 -5.238 1.00 0.00 O ATOM 590 CB ALA A 39 -6.813 0.696 -3.729 1.00 0.00 C ATOM 0 H ALA A 39 -5.288 2.155 -5.090 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.932 -0.289 -3.564 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.379 -0.160 -3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.600 1.372 -2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.398 1.221 -4.485 1.00 0.00 H new ATOM 596 N ALA A 40 -5.878 -0.240 -6.673 1.00 0.00 N ATOM 597 CA ALA A 40 -6.117 -1.072 -7.839 1.00 0.00 C ATOM 598 C ALA A 40 -4.809 -1.637 -8.379 1.00 0.00 C ATOM 599 O ALA A 40 -4.805 -2.634 -9.099 1.00 0.00 O ATOM 600 CB ALA A 40 -6.838 -0.277 -8.918 1.00 0.00 C ATOM 0 H ALA A 40 -5.804 0.758 -6.872 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.750 -1.907 -7.539 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.010 -0.914 -9.786 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.794 0.076 -8.532 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.227 0.577 -9.210 1.00 0.00 H new ATOM 606 N TYR A 41 -3.699 -1.000 -8.022 1.00 0.00 N ATOM 607 CA TYR A 41 -2.387 -1.447 -8.479 1.00 0.00 C ATOM 608 C TYR A 41 -1.801 -2.469 -7.523 1.00 0.00 C ATOM 609 O TYR A 41 -1.083 -3.376 -7.934 1.00 0.00 O ATOM 610 CB TYR A 41 -1.428 -0.262 -8.625 1.00 0.00 C ATOM 611 CG TYR A 41 -0.054 -0.651 -9.122 1.00 0.00 C ATOM 612 CD1 TYR A 41 0.111 -1.257 -10.361 1.00 0.00 C ATOM 613 CD2 TYR A 41 1.077 -0.412 -8.353 1.00 0.00 C ATOM 614 CE1 TYR A 41 1.365 -1.613 -10.821 1.00 0.00 C ATOM 615 CE2 TYR A 41 2.334 -0.765 -8.804 1.00 0.00 C ATOM 616 CZ TYR A 41 2.474 -1.364 -10.038 1.00 0.00 C ATOM 617 OH TYR A 41 3.724 -1.718 -10.491 1.00 0.00 O ATOM 0 H TYR A 41 -3.680 -0.176 -7.421 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.518 -1.915 -9.455 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.862 0.463 -9.314 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.329 0.235 -7.660 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.755 -1.453 -10.975 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.972 0.058 -7.386 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.476 -2.083 -11.787 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.203 -0.573 -8.193 1.00 0.00 H new ATOM 0 HH TYR A 41 4.396 -1.473 -9.821 1.00 0.00 H new ATOM 627 N ILE A 42 -2.126 -2.325 -6.247 1.00 0.00 N ATOM 628 CA ILE A 42 -1.643 -3.250 -5.239 1.00 0.00 C ATOM 629 C ILE A 42 -2.559 -4.460 -5.180 1.00 0.00 C ATOM 630 O ILE A 42 -2.114 -5.586 -4.941 1.00 0.00 O ATOM 631 CB ILE A 42 -1.550 -2.581 -3.844 1.00 0.00 C ATOM 632 CG1 ILE A 42 -0.283 -1.721 -3.739 1.00 0.00 C ATOM 633 CG2 ILE A 42 -1.566 -3.625 -2.733 1.00 0.00 C ATOM 634 CD1 ILE A 42 -0.198 -0.600 -4.756 1.00 0.00 C ATOM 0 H ILE A 42 -2.721 -1.578 -5.888 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.637 -3.563 -5.519 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.422 -1.938 -3.725 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.233 -1.291 -2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.589 -2.365 -3.854 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.500 -3.128 -1.765 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.493 -4.197 -2.784 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.717 -4.298 -2.854 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.728 -0.045 -4.609 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.214 -1.019 -5.762 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.048 0.071 -4.630 1.00 0.00 H new ATOM 646 N LYS A 43 -3.841 -4.227 -5.436 1.00 0.00 N ATOM 647 CA LYS A 43 -4.809 -5.310 -5.435 1.00 0.00 C ATOM 648 C LYS A 43 -4.683 -6.078 -6.734 1.00 0.00 C ATOM 649 O LYS A 43 -4.814 -7.302 -6.762 1.00 0.00 O ATOM 650 CB LYS A 43 -6.237 -4.781 -5.264 1.00 0.00 C ATOM 651 CG LYS A 43 -6.804 -4.135 -6.518 1.00 0.00 C ATOM 652 CD LYS A 43 -8.136 -3.454 -6.243 1.00 0.00 C ATOM 653 CE LYS A 43 -9.169 -4.437 -5.715 1.00 0.00 C ATOM 654 NZ LYS A 43 -10.484 -3.784 -5.473 1.00 0.00 N ATOM 0 H LYS A 43 -4.229 -3.307 -5.645 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.603 -5.969 -4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.886 -5.604 -4.965 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.251 -4.053 -4.453 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.094 -3.404 -6.904 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.934 -4.892 -7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.993 -2.652 -5.519 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.506 -2.994 -7.159 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.294 -5.251 -6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.807 -4.880 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.160 -4.488 -5.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.370 -3.024 -4.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.842 -3.383 -6.364 1.00 0.00 H new ATOM 668 N LYS A 44 -4.393 -5.353 -7.811 1.00 0.00 N ATOM 669 CA LYS A 44 -4.215 -5.987 -9.103 1.00 0.00 C ATOM 670 C LYS A 44 -2.854 -6.658 -9.151 1.00 0.00 C ATOM 671 O LYS A 44 -2.664 -7.657 -9.845 1.00 0.00 O ATOM 672 CB LYS A 44 -4.343 -4.970 -10.238 1.00 0.00 C ATOM 673 CG LYS A 44 -4.167 -5.576 -11.621 1.00 0.00 C ATOM 674 CD LYS A 44 -4.295 -4.523 -12.710 1.00 0.00 C ATOM 675 CE LYS A 44 -4.113 -5.128 -14.092 1.00 0.00 C ATOM 676 NZ LYS A 44 -4.233 -4.105 -15.167 1.00 0.00 N ATOM 0 H LYS A 44 -4.279 -4.339 -7.811 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.997 -6.735 -9.236 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.323 -4.495 -10.180 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.600 -4.185 -10.097 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.190 -6.054 -11.688 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.914 -6.354 -11.776 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.274 -4.048 -12.645 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.551 -3.742 -12.552 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.135 -5.606 -14.153 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.859 -5.907 -14.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.103 -4.558 -16.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.175 -3.667 -15.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.505 -3.374 -15.034 1.00 0.00 H new ATOM 690 N GLU A 45 -1.905 -6.110 -8.392 1.00 0.00 N ATOM 691 CA GLU A 45 -0.561 -6.669 -8.342 1.00 0.00 C ATOM 692 C GLU A 45 -0.583 -8.059 -7.728 1.00 0.00 C ATOM 693 O GLU A 45 0.023 -8.992 -8.256 1.00 0.00 O ATOM 694 CB GLU A 45 0.380 -5.758 -7.548 1.00 0.00 C ATOM 695 CG GLU A 45 1.784 -6.320 -7.399 1.00 0.00 C ATOM 696 CD GLU A 45 2.462 -6.560 -8.734 1.00 0.00 C ATOM 697 OE1 GLU A 45 2.631 -5.586 -9.497 1.00 0.00 O ATOM 698 OE2 GLU A 45 2.823 -7.722 -9.016 1.00 0.00 O ATOM 0 H GLU A 45 -2.044 -5.285 -7.808 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.189 -6.743 -9.364 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.436 -4.788 -8.042 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.042 -5.588 -6.557 1.00 0.00 H new ATOM 0 HG2 GLU A 45 2.387 -5.630 -6.809 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.739 -7.258 -6.845 1.00 0.00 H new ATOM 705 N PHE A 46 -1.290 -8.197 -6.612 1.00 0.00 N ATOM 706 CA PHE A 46 -1.384 -9.486 -5.940 1.00 0.00 C ATOM 707 C PHE A 46 -2.424 -10.376 -6.616 1.00 0.00 C ATOM 708 O PHE A 46 -2.172 -11.550 -6.883 1.00 0.00 O ATOM 709 CB PHE A 46 -1.700 -9.292 -4.457 1.00 0.00 C ATOM 710 CG PHE A 46 -0.584 -8.617 -3.711 1.00 0.00 C ATOM 711 CD1 PHE A 46 0.656 -9.226 -3.598 1.00 0.00 C ATOM 712 CD2 PHE A 46 -0.768 -7.372 -3.132 1.00 0.00 C ATOM 713 CE1 PHE A 46 1.690 -8.609 -2.923 1.00 0.00 C ATOM 714 CE2 PHE A 46 0.263 -6.748 -2.454 1.00 0.00 C ATOM 715 CZ PHE A 46 1.494 -7.367 -2.349 1.00 0.00 C ATOM 0 H PHE A 46 -1.801 -7.440 -6.158 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.420 -9.988 -6.017 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.609 -8.699 -4.358 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.901 -10.262 -4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 46 0.815 -10.197 -4.044 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.728 -6.883 -3.211 1.00 0.00 H new ATOM 0 HE1 PHE A 46 2.651 -9.096 -2.844 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.106 -5.778 -2.007 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.301 -6.882 -1.820 1.00 0.00 H new ATOM 725 N ASP A 47 -3.582 -9.807 -6.915 1.00 0.00 N ATOM 726 CA ASP A 47 -4.645 -10.541 -7.586 1.00 0.00 C ATOM 727 C ASP A 47 -4.164 -11.074 -8.938 1.00 0.00 C ATOM 728 O ASP A 47 -4.745 -12.006 -9.493 1.00 0.00 O ATOM 729 CB ASP A 47 -5.859 -9.626 -7.785 1.00 0.00 C ATOM 730 CG ASP A 47 -6.966 -10.278 -8.592 1.00 0.00 C ATOM 731 OD1 ASP A 47 -7.509 -11.300 -8.135 1.00 0.00 O ATOM 732 OD2 ASP A 47 -7.288 -9.761 -9.682 1.00 0.00 O ATOM 0 H ASP A 47 -3.810 -8.836 -6.703 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.930 -11.389 -6.964 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.251 -9.334 -6.811 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.540 -8.713 -8.287 1.00 0.00 H new ATOM 737 N LYS A 48 -3.107 -10.457 -9.469 1.00 0.00 N ATOM 738 CA LYS A 48 -2.551 -10.842 -10.763 1.00 0.00 C ATOM 739 C LYS A 48 -2.259 -12.339 -10.855 1.00 0.00 C ATOM 740 O LYS A 48 -2.446 -12.940 -11.911 1.00 0.00 O ATOM 741 CB LYS A 48 -1.266 -10.055 -11.040 1.00 0.00 C ATOM 742 CG LYS A 48 -0.619 -10.369 -12.384 1.00 0.00 C ATOM 743 CD LYS A 48 -1.163 -9.491 -13.503 1.00 0.00 C ATOM 744 CE LYS A 48 -2.663 -9.657 -13.688 1.00 0.00 C ATOM 745 NZ LYS A 48 -3.041 -11.072 -13.952 1.00 0.00 N ATOM 0 H LYS A 48 -2.618 -9.684 -9.018 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.306 -10.607 -11.513 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.490 -8.989 -10.997 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.548 -10.262 -10.246 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.459 -10.231 -12.307 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.789 -11.417 -12.631 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.939 -8.447 -13.284 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.655 -9.737 -14.435 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.179 -9.305 -12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.997 -9.032 -14.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.070 -11.137 -14.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.556 -11.407 -14.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.761 -11.663 -13.143 1.00 0.00 H new ATOM 759 N LYS A 49 -1.791 -12.939 -9.762 1.00 0.00 N ATOM 760 CA LYS A 49 -1.467 -14.366 -9.771 1.00 0.00 C ATOM 761 C LYS A 49 -0.919 -14.826 -8.423 1.00 0.00 C ATOM 762 O LYS A 49 -0.125 -15.761 -8.352 1.00 0.00 O ATOM 763 CB LYS A 49 -0.453 -14.674 -10.882 1.00 0.00 C ATOM 764 CG LYS A 49 -0.153 -16.156 -11.057 1.00 0.00 C ATOM 765 CD LYS A 49 -1.424 -16.961 -11.271 1.00 0.00 C ATOM 766 CE LYS A 49 -1.123 -18.441 -11.440 1.00 0.00 C ATOM 767 NZ LYS A 49 -0.429 -19.007 -10.250 1.00 0.00 N ATOM 0 H LYS A 49 -1.629 -12.469 -8.871 1.00 0.00 H new ATOM 0 HA LYS A 49 -2.390 -14.913 -9.963 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.831 -14.277 -11.824 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.477 -14.149 -10.666 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.514 -16.295 -11.908 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.371 -16.529 -10.177 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.093 -16.819 -10.422 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.946 -16.591 -12.154 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.053 -18.983 -11.610 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.503 -18.587 -12.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.452 -20.046 -10.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.559 -18.683 -10.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.909 -18.688 -9.384 1.00 0.00 H new ATOM 781 N TYR A 50 -1.364 -14.187 -7.351 1.00 0.00 N ATOM 782 CA TYR A 50 -0.933 -14.566 -6.019 1.00 0.00 C ATOM 783 C TYR A 50 -2.024 -15.386 -5.356 1.00 0.00 C ATOM 784 O TYR A 50 -1.752 -16.217 -4.491 1.00 0.00 O ATOM 785 CB TYR A 50 -0.608 -13.330 -5.175 1.00 0.00 C ATOM 786 CG TYR A 50 0.600 -12.563 -5.665 1.00 0.00 C ATOM 787 CD1 TYR A 50 0.642 -12.037 -6.951 1.00 0.00 C ATOM 788 CD2 TYR A 50 1.700 -12.367 -4.841 1.00 0.00 C ATOM 789 CE1 TYR A 50 1.746 -11.337 -7.400 1.00 0.00 C ATOM 790 CE2 TYR A 50 2.808 -11.667 -5.282 1.00 0.00 C ATOM 791 CZ TYR A 50 2.826 -11.154 -6.563 1.00 0.00 C ATOM 792 OH TYR A 50 3.926 -10.459 -7.006 1.00 0.00 O ATOM 0 H TYR A 50 -2.021 -13.407 -7.380 1.00 0.00 H new ATOM 0 HA TYR A 50 -0.024 -15.163 -6.098 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.472 -12.666 -5.170 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.438 -13.639 -4.144 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.202 -12.178 -7.610 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.690 -12.768 -3.838 1.00 0.00 H new ATOM 0 HE1 TYR A 50 1.762 -10.935 -8.402 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.655 -11.523 -4.627 1.00 0.00 H new ATOM 0 HH TYR A 50 4.597 -10.420 -6.293 1.00 0.00 H new ATOM 802 N ASN A 51 -3.263 -15.130 -5.790 1.00 0.00 N ATOM 803 CA ASN A 51 -4.455 -15.813 -5.277 1.00 0.00 C ATOM 804 C ASN A 51 -5.647 -14.858 -5.258 1.00 0.00 C ATOM 805 O ASN A 51 -6.024 -14.346 -4.205 1.00 0.00 O ATOM 806 CB ASN A 51 -4.236 -16.370 -3.864 1.00 0.00 C ATOM 807 CG ASN A 51 -3.703 -15.345 -2.873 1.00 0.00 C ATOM 808 OD1 ASN A 51 -3.456 -14.118 -3.325 1.00 0.00 O flip ATOM 809 ND2 ASN A 51 -3.509 -15.661 -1.699 1.00 0.00 N flip ATOM 0 H ASN A 51 -3.468 -14.439 -6.512 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.656 -16.649 -5.947 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.180 -16.766 -3.490 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.539 -17.206 -3.918 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.709 -16.611 -1.387 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.148 -14.973 -1.039 1.00 0.00 H new ATOM 816 N PRO A 52 -6.256 -14.603 -6.427 1.00 0.00 N ATOM 817 CA PRO A 52 -7.405 -13.701 -6.536 1.00 0.00 C ATOM 818 C PRO A 52 -8.438 -13.944 -5.431 1.00 0.00 C ATOM 819 O PRO A 52 -8.709 -15.093 -5.081 1.00 0.00 O ATOM 820 CB PRO A 52 -7.988 -14.060 -7.901 1.00 0.00 C ATOM 821 CG PRO A 52 -6.812 -14.496 -8.705 1.00 0.00 C ATOM 822 CD PRO A 52 -5.870 -15.167 -7.737 1.00 0.00 C ATOM 0 HA PRO A 52 -7.123 -12.653 -6.434 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.730 -14.854 -7.819 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.486 -13.205 -8.358 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.113 -15.183 -9.495 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.333 -13.645 -9.188 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.982 -16.251 -7.755 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -4.829 -14.950 -7.976 1.00 0.00 H new ATOM 830 N THR A 53 -9.025 -12.873 -4.876 1.00 0.00 N ATOM 831 CA THR A 53 -8.719 -11.501 -5.274 1.00 0.00 C ATOM 832 C THR A 53 -8.518 -10.633 -4.049 1.00 0.00 C ATOM 833 O THR A 53 -9.071 -10.898 -2.984 1.00 0.00 O ATOM 834 CB THR A 53 -9.840 -10.919 -6.130 1.00 0.00 C ATOM 835 OG1 THR A 53 -10.257 -11.846 -7.116 1.00 0.00 O ATOM 836 CG2 THR A 53 -9.444 -9.644 -6.845 1.00 0.00 C ATOM 0 H THR A 53 -9.726 -12.940 -4.138 1.00 0.00 H new ATOM 0 HA THR A 53 -7.801 -11.518 -5.862 1.00 0.00 H new ATOM 0 HB THR A 53 -10.647 -10.696 -5.432 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.977 -11.452 -7.652 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.285 -9.282 -7.436 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.164 -8.888 -6.112 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.598 -9.843 -7.502 1.00 0.00 H new ATOM 844 N TRP A 54 -7.724 -9.595 -4.209 1.00 0.00 N ATOM 845 CA TRP A 54 -7.439 -8.682 -3.113 1.00 0.00 C ATOM 846 C TRP A 54 -8.297 -7.428 -3.205 1.00 0.00 C ATOM 847 O TRP A 54 -8.697 -7.014 -4.293 1.00 0.00 O ATOM 848 CB TRP A 54 -5.958 -8.311 -3.101 1.00 0.00 C ATOM 849 CG TRP A 54 -5.054 -9.495 -2.935 1.00 0.00 C ATOM 850 CD1 TRP A 54 -4.593 -10.329 -3.916 1.00 0.00 C ATOM 851 CD2 TRP A 54 -4.531 -9.993 -1.703 1.00 0.00 C ATOM 852 NE1 TRP A 54 -3.786 -11.300 -3.368 1.00 0.00 N ATOM 853 CE2 TRP A 54 -3.736 -11.115 -2.004 1.00 0.00 C ATOM 854 CE3 TRP A 54 -4.651 -9.589 -0.374 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -3.064 -11.834 -1.015 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -3.989 -10.305 0.605 1.00 0.00 C ATOM 857 CH2 TRP A 54 -3.201 -11.414 0.280 1.00 0.00 C ATOM 0 H TRP A 54 -7.262 -9.359 -5.087 1.00 0.00 H new ATOM 0 HA TRP A 54 -7.683 -9.190 -2.180 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.710 -7.801 -4.032 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.774 -7.605 -2.291 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.828 -10.239 -4.966 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.305 -12.035 -3.886 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -5.252 -8.730 -0.114 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.457 -12.692 -1.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.082 -10.003 1.638 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.691 -11.949 1.067 1.00 0.00 H new ATOM 868 N HIS A 55 -8.585 -6.833 -2.052 1.00 0.00 N ATOM 869 CA HIS A 55 -9.408 -5.627 -1.999 1.00 0.00 C ATOM 870 C HIS A 55 -8.662 -4.467 -1.344 1.00 0.00 C ATOM 871 O HIS A 55 -9.252 -3.686 -0.599 1.00 0.00 O ATOM 872 CB HIS A 55 -10.705 -5.908 -1.238 1.00 0.00 C ATOM 873 CG HIS A 55 -11.532 -6.999 -1.844 1.00 0.00 C ATOM 874 ND1 HIS A 55 -11.086 -8.297 -1.976 1.00 0.00 N ATOM 875 CD2 HIS A 55 -12.787 -6.981 -2.354 1.00 0.00 C ATOM 876 CE1 HIS A 55 -12.029 -9.029 -2.543 1.00 0.00 C ATOM 877 NE2 HIS A 55 -13.072 -8.254 -2.780 1.00 0.00 N ATOM 0 H HIS A 55 -8.262 -7.164 -1.143 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.643 -5.340 -3.024 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -10.462 -6.176 -0.210 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -11.298 -4.994 -1.197 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -13.442 -6.124 -2.414 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -11.959 -10.082 -2.773 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -13.947 -8.553 -3.210 1.00 0.00 H new ATOM 886 N CYS A 56 -7.365 -4.358 -1.622 1.00 0.00 N ATOM 887 CA CYS A 56 -6.542 -3.290 -1.057 1.00 0.00 C ATOM 888 C CYS A 56 -7.227 -1.929 -1.170 1.00 0.00 C ATOM 889 O CYS A 56 -7.636 -1.513 -2.253 1.00 0.00 O ATOM 890 CB CYS A 56 -5.182 -3.248 -1.759 1.00 0.00 C ATOM 891 SG CYS A 56 -4.060 -1.979 -1.121 1.00 0.00 S ATOM 0 H CYS A 56 -6.860 -4.997 -2.236 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.400 -3.506 0.002 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.704 -4.223 -1.661 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.340 -3.076 -2.824 1.00 0.00 H new ATOM 0 HG CYS A 56 -4.499 -0.803 -1.458 1.00 0.00 H new ATOM 897 N ILE A 57 -7.343 -1.240 -0.036 1.00 0.00 N ATOM 898 CA ILE A 57 -7.969 0.074 0.009 1.00 0.00 C ATOM 899 C ILE A 57 -7.008 1.098 0.605 1.00 0.00 C ATOM 900 O ILE A 57 -5.993 0.731 1.196 1.00 0.00 O ATOM 901 CB ILE A 57 -9.259 0.052 0.848 1.00 0.00 C ATOM 902 CG1 ILE A 57 -10.109 -1.162 0.469 1.00 0.00 C ATOM 903 CG2 ILE A 57 -10.042 1.346 0.655 1.00 0.00 C ATOM 904 CD1 ILE A 57 -11.483 -1.172 1.102 1.00 0.00 C ATOM 0 H ILE A 57 -7.008 -1.575 0.867 1.00 0.00 H new ATOM 0 HA ILE A 57 -8.220 0.352 -1.015 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.994 -0.028 1.902 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -10.219 -1.191 -0.615 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.579 -2.069 0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.951 1.314 1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.430 2.192 0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.305 1.459 -0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -12.023 -2.064 0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -11.384 -1.175 2.187 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.033 -0.284 0.791 1.00 0.00 H new ATOM 916 N VAL A 58 -7.326 2.377 0.446 1.00 0.00 N ATOM 917 CA VAL A 58 -6.472 3.436 0.973 1.00 0.00 C ATOM 918 C VAL A 58 -7.300 4.574 1.569 1.00 0.00 C ATOM 919 O VAL A 58 -8.187 5.118 0.911 1.00 0.00 O ATOM 920 CB VAL A 58 -5.558 4.012 -0.128 1.00 0.00 C ATOM 921 CG1 VAL A 58 -4.563 4.998 0.462 1.00 0.00 C ATOM 922 CG2 VAL A 58 -4.843 2.895 -0.876 1.00 0.00 C ATOM 0 H VAL A 58 -8.161 2.705 -0.039 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.861 2.988 1.756 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.181 4.549 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.928 5.393 -0.331 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.101 5.818 0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.945 4.492 1.203 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.204 3.325 -1.648 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.233 2.322 -0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.579 2.238 -1.339 1.00 0.00 H new ATOM 932 N GLY A 59 -6.998 4.940 2.813 1.00 0.00 N ATOM 933 CA GLY A 59 -7.719 6.021 3.467 1.00 0.00 C ATOM 934 C GLY A 59 -7.266 6.234 4.897 1.00 0.00 C ATOM 935 O GLY A 59 -6.930 5.279 5.595 1.00 0.00 O ATOM 0 H GLY A 59 -6.268 4.508 3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.577 6.943 2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.787 5.801 3.456 1.00 0.00 H new ATOM 939 N ARG A 60 -7.250 7.489 5.331 1.00 0.00 N ATOM 940 CA ARG A 60 -6.824 7.825 6.686 1.00 0.00 C ATOM 941 C ARG A 60 -7.717 7.155 7.727 1.00 0.00 C ATOM 942 O ARG A 60 -7.378 6.100 8.264 1.00 0.00 O ATOM 943 CB ARG A 60 -6.823 9.344 6.883 1.00 0.00 C ATOM 944 CG ARG A 60 -5.918 10.087 5.914 1.00 0.00 C ATOM 945 CD ARG A 60 -5.917 11.582 6.188 1.00 0.00 C ATOM 946 NE ARG A 60 -7.254 12.159 6.077 1.00 0.00 N ATOM 947 CZ ARG A 60 -7.525 13.446 6.286 1.00 0.00 C ATOM 948 NH1 ARG A 60 -6.556 14.291 6.615 1.00 0.00 N ATOM 949 NH2 ARG A 60 -8.768 13.890 6.164 1.00 0.00 N ATOM 0 H ARG A 60 -7.527 8.291 4.765 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.809 7.451 6.822 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.842 9.716 6.773 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.510 9.569 7.903 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.902 9.701 5.994 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -6.249 9.904 4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.524 11.767 7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.248 12.079 5.485 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.025 11.540 5.825 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.597 13.956 6.709 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.770 15.276 6.774 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.517 13.246 5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.975 14.876 6.324 1.00 0.00 H new ATOM 963 N SER A 61 -8.855 7.771 8.008 1.00 0.00 N ATOM 964 CA SER A 61 -9.795 7.238 8.983 1.00 0.00 C ATOM 965 C SER A 61 -11.221 7.325 8.452 1.00 0.00 C ATOM 966 O SER A 61 -12.096 7.925 9.077 1.00 0.00 O ATOM 967 CB SER A 61 -9.678 7.996 10.308 1.00 0.00 C ATOM 968 OG SER A 61 -9.943 9.377 10.130 1.00 0.00 O ATOM 0 H SER A 61 -9.151 8.645 7.573 1.00 0.00 H new ATOM 0 HA SER A 61 -9.552 6.190 9.157 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.377 7.579 11.032 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.677 7.864 10.719 1.00 0.00 H new ATOM 0 HG SER A 61 -10.869 9.497 9.832 1.00 0.00 H new ATOM 974 N GLY A 62 -11.443 6.725 7.289 1.00 0.00 N ATOM 975 CA GLY A 62 -12.760 6.745 6.684 1.00 0.00 C ATOM 976 C GLY A 62 -13.747 5.850 7.402 1.00 0.00 C ATOM 977 O GLY A 62 -14.632 6.332 8.107 1.00 0.00 O ATOM 0 H GLY A 62 -10.733 6.225 6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -13.138 7.767 6.681 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -12.682 6.431 5.643 1.00 0.00 H new ATOM 981 N ASN A 63 -13.590 4.541 7.220 1.00 0.00 N ATOM 982 CA ASN A 63 -14.475 3.560 7.854 1.00 0.00 C ATOM 983 C ASN A 63 -14.209 2.149 7.336 1.00 0.00 C ATOM 984 O ASN A 63 -15.106 1.483 6.818 1.00 0.00 O ATOM 985 CB ASN A 63 -15.952 3.927 7.629 1.00 0.00 C ATOM 986 CG ASN A 63 -16.349 4.056 6.160 1.00 0.00 C ATOM 987 OD1 ASN A 63 -15.416 3.826 5.234 1.00 0.00 O flip ATOM 988 ND2 ASN A 63 -17.502 4.363 5.857 1.00 0.00 N flip ATOM 0 H ASN A 63 -12.858 4.132 6.639 1.00 0.00 H new ATOM 0 HA ASN A 63 -14.263 3.579 8.923 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.579 3.168 8.098 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -16.161 4.870 8.134 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -18.193 4.533 6.588 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -17.766 4.448 4.875 1.00 0.00 H new ATOM 995 N PHE A 64 -12.974 1.696 7.492 1.00 0.00 N ATOM 996 CA PHE A 64 -12.586 0.361 7.056 1.00 0.00 C ATOM 997 C PHE A 64 -11.316 -0.091 7.762 1.00 0.00 C ATOM 998 O PHE A 64 -10.402 -0.632 7.143 1.00 0.00 O ATOM 999 CB PHE A 64 -12.408 0.312 5.536 1.00 0.00 C ATOM 1000 CG PHE A 64 -11.673 1.489 4.958 1.00 0.00 C ATOM 1001 CD1 PHE A 64 -10.425 1.865 5.435 1.00 0.00 C ATOM 1002 CD2 PHE A 64 -12.231 2.216 3.917 1.00 0.00 C ATOM 1003 CE1 PHE A 64 -9.752 2.937 4.884 1.00 0.00 C ATOM 1004 CE2 PHE A 64 -11.563 3.291 3.366 1.00 0.00 C ATOM 1005 CZ PHE A 64 -10.322 3.650 3.848 1.00 0.00 C ATOM 0 H PHE A 64 -12.220 2.235 7.919 1.00 0.00 H new ATOM 0 HA PHE A 64 -13.388 -0.327 7.325 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -11.871 -0.600 5.275 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -13.391 0.248 5.069 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -9.975 1.312 6.247 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -13.201 1.937 3.532 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -8.780 3.218 5.263 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -12.012 3.850 2.558 1.00 0.00 H new ATOM 0 HZ PHE A 64 -9.796 4.488 3.415 1.00 0.00 H new ATOM 1015 N GLY A 65 -11.277 0.134 9.068 1.00 0.00 N ATOM 1016 CA GLY A 65 -10.126 -0.257 9.854 1.00 0.00 C ATOM 1017 C GLY A 65 -10.509 -0.988 11.128 1.00 0.00 C ATOM 1018 O GLY A 65 -9.638 -1.409 11.889 1.00 0.00 O ATOM 0 H GLY A 65 -12.025 0.582 9.598 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.481 -0.897 9.252 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -9.547 0.630 10.109 1.00 0.00 H new ATOM 1022 N SER A 66 -11.813 -1.137 11.373 1.00 0.00 N ATOM 1023 CA SER A 66 -12.280 -1.816 12.574 1.00 0.00 C ATOM 1024 C SER A 66 -13.320 -2.889 12.257 1.00 0.00 C ATOM 1025 O SER A 66 -14.190 -3.179 13.079 1.00 0.00 O ATOM 1026 CB SER A 66 -12.864 -0.805 13.562 1.00 0.00 C ATOM 1027 OG SER A 66 -11.893 0.153 13.945 1.00 0.00 O ATOM 0 H SER A 66 -12.554 -0.799 10.760 1.00 0.00 H new ATOM 0 HA SER A 66 -11.418 -2.310 13.023 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.718 -0.301 13.109 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.233 -1.326 14.445 1.00 0.00 H new ATOM 0 HG SER A 66 -12.292 0.789 14.575 1.00 0.00 H new ATOM 1033 N TYR A 67 -13.221 -3.488 11.073 1.00 0.00 N ATOM 1034 CA TYR A 67 -14.156 -4.543 10.671 1.00 0.00 C ATOM 1035 C TYR A 67 -13.922 -5.007 9.233 1.00 0.00 C ATOM 1036 O TYR A 67 -14.864 -5.382 8.534 1.00 0.00 O ATOM 1037 CB TYR A 67 -15.606 -4.078 10.843 1.00 0.00 C ATOM 1038 CG TYR A 67 -15.902 -2.722 10.239 1.00 0.00 C ATOM 1039 CD1 TYR A 67 -15.758 -2.494 8.876 1.00 0.00 C ATOM 1040 CD2 TYR A 67 -16.330 -1.670 11.039 1.00 0.00 C ATOM 1041 CE1 TYR A 67 -16.034 -1.255 8.329 1.00 0.00 C ATOM 1042 CE2 TYR A 67 -16.607 -0.429 10.499 1.00 0.00 C ATOM 1043 CZ TYR A 67 -16.459 -0.226 9.143 1.00 0.00 C ATOM 1044 OH TYR A 67 -16.738 1.010 8.604 1.00 0.00 O ATOM 0 H TYR A 67 -12.509 -3.265 10.377 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.972 -5.394 11.326 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -16.268 -4.816 10.391 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -15.842 -4.048 11.907 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -15.426 -3.297 8.234 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -16.448 -1.825 12.101 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -15.917 -1.093 7.268 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -16.938 0.378 11.136 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.377 1.059 7.694 1.00 0.00 H new ATOM 1054 N VAL A 68 -12.665 -4.993 8.799 1.00 0.00 N ATOM 1055 CA VAL A 68 -12.319 -5.423 7.448 1.00 0.00 C ATOM 1056 C VAL A 68 -11.897 -6.895 7.415 1.00 0.00 C ATOM 1057 O VAL A 68 -11.600 -7.439 6.351 1.00 0.00 O ATOM 1058 CB VAL A 68 -11.183 -4.563 6.867 1.00 0.00 C ATOM 1059 CG1 VAL A 68 -10.882 -4.964 5.430 1.00 0.00 C ATOM 1060 CG2 VAL A 68 -11.537 -3.087 6.956 1.00 0.00 C ATOM 0 H VAL A 68 -11.871 -4.689 9.362 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.215 -5.299 6.840 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.284 -4.736 7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -10.076 -4.343 5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -10.580 -6.011 5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -11.774 -4.826 4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -10.723 -2.492 6.541 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -12.450 -2.897 6.392 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -11.692 -2.812 7.999 1.00 0.00 H new ATOM 1070 N THR A 69 -11.871 -7.532 8.581 1.00 0.00 N ATOM 1071 CA THR A 69 -11.486 -8.937 8.686 1.00 0.00 C ATOM 1072 C THR A 69 -12.580 -9.858 8.168 1.00 0.00 C ATOM 1073 O THR A 69 -12.412 -10.527 7.147 1.00 0.00 O ATOM 1074 CB THR A 69 -11.163 -9.287 10.139 1.00 0.00 C ATOM 1075 OG1 THR A 69 -10.120 -8.465 10.633 1.00 0.00 O ATOM 1076 CG2 THR A 69 -10.739 -10.728 10.333 1.00 0.00 C ATOM 0 H THR A 69 -12.113 -7.096 9.471 1.00 0.00 H new ATOM 0 HA THR A 69 -10.600 -9.083 8.068 1.00 0.00 H new ATOM 0 HB THR A 69 -12.092 -9.123 10.685 1.00 0.00 H new ATOM 0 HG1 THR A 69 -9.929 -8.703 11.564 1.00 0.00 H new ATOM 0 HG21 THR A 69 -10.525 -10.906 11.387 1.00 0.00 H new ATOM 0 HG22 THR A 69 -11.542 -11.390 10.009 1.00 0.00 H new ATOM 0 HG23 THR A 69 -9.844 -10.927 9.743 1.00 0.00 H new ATOM 1084 N HIS A 70 -13.686 -9.907 8.893 1.00 0.00 N ATOM 1085 CA HIS A 70 -14.812 -10.768 8.539 1.00 0.00 C ATOM 1086 C HIS A 70 -14.345 -12.172 8.146 1.00 0.00 C ATOM 1087 O HIS A 70 -15.059 -12.897 7.455 1.00 0.00 O ATOM 1088 CB HIS A 70 -15.665 -10.156 7.419 1.00 0.00 C ATOM 1089 CG HIS A 70 -14.921 -9.887 6.148 1.00 0.00 C ATOM 1090 ND1 HIS A 70 -14.008 -8.866 6.011 1.00 0.00 N ATOM 1091 CD2 HIS A 70 -14.964 -10.513 4.947 1.00 0.00 C ATOM 1092 CE1 HIS A 70 -13.519 -8.875 4.784 1.00 0.00 C ATOM 1093 NE2 HIS A 70 -14.083 -9.865 4.119 1.00 0.00 N ATOM 0 H HIS A 70 -13.832 -9.356 9.739 1.00 0.00 H new ATOM 0 HA HIS A 70 -15.435 -10.853 9.430 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -16.496 -10.828 7.204 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -16.096 -9.221 7.777 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -15.578 -11.364 4.690 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -12.783 -8.189 4.392 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -13.895 -10.109 3.147 1.00 0.00 H new ATOM 1102 N GLU A 71 -13.144 -12.547 8.605 1.00 0.00 N ATOM 1103 CA GLU A 71 -12.566 -13.869 8.327 1.00 0.00 C ATOM 1104 C GLU A 71 -11.876 -13.909 6.968 1.00 0.00 C ATOM 1105 O GLU A 71 -12.005 -14.880 6.221 1.00 0.00 O ATOM 1106 CB GLU A 71 -13.633 -14.970 8.405 1.00 0.00 C ATOM 1107 CG GLU A 71 -14.406 -14.981 9.715 1.00 0.00 C ATOM 1108 CD GLU A 71 -13.520 -15.252 10.917 1.00 0.00 C ATOM 1109 OE1 GLU A 71 -12.304 -15.461 10.727 1.00 0.00 O ATOM 1110 OE2 GLU A 71 -14.046 -15.258 12.050 1.00 0.00 O ATOM 0 H GLU A 71 -12.549 -11.947 9.176 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.816 -14.053 9.096 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -14.335 -14.843 7.581 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.153 -15.939 8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.905 -14.021 9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -15.186 -15.741 9.665 1.00 0.00 H new ATOM 1117 N THR A 72 -11.128 -12.857 6.660 1.00 0.00 N ATOM 1118 CA THR A 72 -10.399 -12.776 5.401 1.00 0.00 C ATOM 1119 C THR A 72 -9.401 -13.926 5.281 1.00 0.00 C ATOM 1120 O THR A 72 -9.163 -14.436 4.186 1.00 0.00 O ATOM 1121 CB THR A 72 -9.671 -11.433 5.307 1.00 0.00 C ATOM 1122 OG1 THR A 72 -10.595 -10.360 5.318 1.00 0.00 O ATOM 1123 CG2 THR A 72 -8.817 -11.291 4.067 1.00 0.00 C ATOM 0 H THR A 72 -11.010 -12.046 7.267 1.00 0.00 H new ATOM 0 HA THR A 72 -11.112 -12.854 4.580 1.00 0.00 H new ATOM 0 HB THR A 72 -9.017 -11.403 6.178 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.977 -10.266 6.216 1.00 0.00 H new ATOM 0 HG21 THR A 72 -8.332 -10.315 4.069 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.058 -12.073 4.057 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.445 -11.383 3.181 1.00 0.00 H new ATOM 1131 N LYS A 73 -8.818 -14.317 6.419 1.00 0.00 N ATOM 1132 CA LYS A 73 -7.830 -15.404 6.480 1.00 0.00 C ATOM 1133 C LYS A 73 -6.418 -14.887 6.210 1.00 0.00 C ATOM 1134 O LYS A 73 -5.438 -15.462 6.683 1.00 0.00 O ATOM 1135 CB LYS A 73 -8.170 -16.530 5.496 1.00 0.00 C ATOM 1136 CG LYS A 73 -9.579 -17.079 5.662 1.00 0.00 C ATOM 1137 CD LYS A 73 -9.800 -17.641 7.056 1.00 0.00 C ATOM 1138 CE LYS A 73 -8.842 -18.785 7.355 1.00 0.00 C ATOM 1139 NZ LYS A 73 -9.055 -19.344 8.718 1.00 0.00 N ATOM 0 H LYS A 73 -9.016 -13.890 7.324 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.866 -15.808 7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.051 -16.160 4.478 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.455 -17.342 5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.303 -16.288 5.469 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.755 -17.860 4.922 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.665 -16.850 7.794 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.828 -17.992 7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.975 -19.573 6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.815 -18.432 7.264 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.384 -20.121 8.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.903 -18.598 9.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.027 -19.704 8.797 1.00 0.00 H new ATOM 1153 N HIS A 74 -6.321 -13.798 5.456 1.00 0.00 N ATOM 1154 CA HIS A 74 -5.032 -13.198 5.127 1.00 0.00 C ATOM 1155 C HIS A 74 -5.217 -11.734 4.743 1.00 0.00 C ATOM 1156 O HIS A 74 -5.667 -11.426 3.639 1.00 0.00 O ATOM 1157 CB HIS A 74 -4.364 -13.960 3.981 1.00 0.00 C ATOM 1158 CG HIS A 74 -4.080 -15.395 4.300 1.00 0.00 C ATOM 1159 ND1 HIS A 74 -3.255 -15.788 5.332 1.00 0.00 N ATOM 1160 CD2 HIS A 74 -4.518 -16.536 3.716 1.00 0.00 C ATOM 1161 CE1 HIS A 74 -3.195 -17.107 5.368 1.00 0.00 C ATOM 1162 NE2 HIS A 74 -3.953 -17.585 4.399 1.00 0.00 N ATOM 0 H HIS A 74 -7.124 -13.310 5.059 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.389 -13.256 6.005 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -5.006 -13.912 3.101 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.430 -13.463 3.721 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.187 -16.607 2.871 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.623 -17.694 6.071 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -4.096 -18.573 4.191 1.00 0.00 H new ATOM 1171 N PHE A 75 -4.886 -10.835 5.663 1.00 0.00 N ATOM 1172 CA PHE A 75 -5.038 -9.407 5.415 1.00 0.00 C ATOM 1173 C PHE A 75 -3.864 -8.608 5.968 1.00 0.00 C ATOM 1174 O PHE A 75 -2.919 -9.163 6.526 1.00 0.00 O ATOM 1175 CB PHE A 75 -6.332 -8.902 6.051 1.00 0.00 C ATOM 1176 CG PHE A 75 -6.375 -9.093 7.541 1.00 0.00 C ATOM 1177 CD1 PHE A 75 -6.371 -10.363 8.092 1.00 0.00 C ATOM 1178 CD2 PHE A 75 -6.408 -7.998 8.390 1.00 0.00 C ATOM 1179 CE1 PHE A 75 -6.403 -10.541 9.462 1.00 0.00 C ATOM 1180 CE2 PHE A 75 -6.440 -8.168 9.761 1.00 0.00 C ATOM 1181 CZ PHE A 75 -6.437 -9.442 10.298 1.00 0.00 C ATOM 0 H PHE A 75 -4.512 -11.068 6.583 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.069 -9.265 4.335 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.451 -7.843 5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.177 -9.422 5.600 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.343 -11.226 7.443 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.409 -7.001 7.975 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.401 -11.538 9.878 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.467 -7.307 10.412 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.461 -9.578 11.369 1.00 0.00 H new ATOM 1191 N ILE A 76 -3.952 -7.292 5.813 1.00 0.00 N ATOM 1192 CA ILE A 76 -2.927 -6.379 6.296 1.00 0.00 C ATOM 1193 C ILE A 76 -3.476 -4.966 6.377 1.00 0.00 C ATOM 1194 O ILE A 76 -4.451 -4.620 5.708 1.00 0.00 O ATOM 1195 CB ILE A 76 -1.668 -6.405 5.408 1.00 0.00 C ATOM 1196 CG1 ILE A 76 -0.672 -5.301 5.791 1.00 0.00 C ATOM 1197 CG2 ILE A 76 -2.048 -6.301 3.941 1.00 0.00 C ATOM 1198 CD1 ILE A 76 -0.061 -5.481 7.163 1.00 0.00 C ATOM 0 H ILE A 76 -4.735 -6.830 5.350 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.637 -6.713 7.292 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.171 -7.361 5.574 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.126 -5.271 5.049 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.180 -4.337 5.753 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.146 -6.321 3.329 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.689 -7.141 3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.582 -5.367 3.769 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.632 -4.663 7.363 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.850 -5.481 7.915 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.476 -6.429 7.201 1.00 0.00 H new ATOM 1210 N TYR A 77 -2.846 -4.164 7.210 1.00 0.00 N ATOM 1211 CA TYR A 77 -3.266 -2.781 7.410 1.00 0.00 C ATOM 1212 C TYR A 77 -2.102 -1.933 7.907 1.00 0.00 C ATOM 1213 O TYR A 77 -1.568 -2.170 8.990 1.00 0.00 O ATOM 1214 CB TYR A 77 -4.419 -2.743 8.416 1.00 0.00 C ATOM 1215 CG TYR A 77 -5.107 -1.401 8.532 1.00 0.00 C ATOM 1216 CD1 TYR A 77 -4.425 -0.277 8.986 1.00 0.00 C ATOM 1217 CD2 TYR A 77 -6.447 -1.262 8.193 1.00 0.00 C ATOM 1218 CE1 TYR A 77 -5.063 0.945 9.097 1.00 0.00 C ATOM 1219 CE2 TYR A 77 -7.090 -0.043 8.300 1.00 0.00 C ATOM 1220 CZ TYR A 77 -6.393 1.055 8.752 1.00 0.00 C ATOM 1221 OH TYR A 77 -7.031 2.269 8.864 1.00 0.00 O ATOM 0 H TYR A 77 -2.037 -4.442 7.765 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.602 -2.369 6.458 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -5.158 -3.492 8.131 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.038 -3.028 9.397 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.382 -0.360 9.256 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.996 -2.122 7.839 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.522 1.809 9.452 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.132 0.048 8.031 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.964 2.176 8.580 1.00 0.00 H new ATOM 1231 N PHE A 78 -1.707 -0.943 7.112 1.00 0.00 N ATOM 1232 CA PHE A 78 -0.599 -0.068 7.487 1.00 0.00 C ATOM 1233 C PHE A 78 -0.909 1.393 7.175 1.00 0.00 C ATOM 1234 O PHE A 78 -1.584 1.700 6.192 1.00 0.00 O ATOM 1235 CB PHE A 78 0.690 -0.501 6.778 1.00 0.00 C ATOM 1236 CG PHE A 78 0.646 -0.390 5.277 1.00 0.00 C ATOM 1237 CD1 PHE A 78 0.586 0.849 4.658 1.00 0.00 C ATOM 1238 CD2 PHE A 78 0.671 -1.528 4.487 1.00 0.00 C ATOM 1239 CE1 PHE A 78 0.553 0.948 3.279 1.00 0.00 C ATOM 1240 CE2 PHE A 78 0.638 -1.434 3.109 1.00 0.00 C ATOM 1241 CZ PHE A 78 0.579 -0.193 2.504 1.00 0.00 C ATOM 0 H PHE A 78 -2.133 -0.727 6.211 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.458 -0.157 8.564 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.516 0.106 7.150 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.908 -1.535 7.047 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.565 1.746 5.259 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.717 -2.501 4.954 1.00 0.00 H new ATOM 0 HE1 PHE A 78 0.507 1.919 2.809 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.658 -2.329 2.505 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.553 -0.117 1.427 1.00 0.00 H new ATOM 1251 N TYR A 79 -0.405 2.291 8.020 1.00 0.00 N ATOM 1252 CA TYR A 79 -0.619 3.722 7.836 1.00 0.00 C ATOM 1253 C TYR A 79 0.442 4.317 6.921 1.00 0.00 C ATOM 1254 O TYR A 79 1.568 3.824 6.851 1.00 0.00 O ATOM 1255 CB TYR A 79 -0.604 4.453 9.182 1.00 0.00 C ATOM 1256 CG TYR A 79 -1.787 4.134 10.068 1.00 0.00 C ATOM 1257 CD1 TYR A 79 -2.021 2.840 10.516 1.00 0.00 C ATOM 1258 CD2 TYR A 79 -2.671 5.133 10.459 1.00 0.00 C ATOM 1259 CE1 TYR A 79 -3.102 2.551 11.327 1.00 0.00 C ATOM 1260 CE2 TYR A 79 -3.753 4.851 11.271 1.00 0.00 C ATOM 1261 CZ TYR A 79 -3.964 3.560 11.702 1.00 0.00 C ATOM 1262 OH TYR A 79 -5.040 3.275 12.511 1.00 0.00 O ATOM 0 H TYR A 79 0.154 2.051 8.838 1.00 0.00 H new ATOM 0 HA TYR A 79 -1.597 3.852 7.373 1.00 0.00 H new ATOM 0 HB2 TYR A 79 0.313 4.198 9.712 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -0.579 5.527 9.000 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.347 2.047 10.226 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -2.509 6.146 10.123 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -3.271 1.539 11.666 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -4.430 5.639 11.566 1.00 0.00 H new ATOM 0 HH TYR A 79 -5.547 4.096 12.683 1.00 0.00 H new ATOM 1272 N LEU A 80 0.071 5.386 6.229 1.00 0.00 N ATOM 1273 CA LEU A 80 0.979 6.065 5.317 1.00 0.00 C ATOM 1274 C LEU A 80 0.839 7.574 5.466 1.00 0.00 C ATOM 1275 O LEU A 80 0.117 8.221 4.707 1.00 0.00 O ATOM 1276 CB LEU A 80 0.694 5.646 3.874 1.00 0.00 C ATOM 1277 CG LEU A 80 1.606 6.280 2.820 1.00 0.00 C ATOM 1278 CD1 LEU A 80 3.056 5.887 3.064 1.00 0.00 C ATOM 1279 CD2 LEU A 80 1.166 5.868 1.422 1.00 0.00 C ATOM 0 H LEU A 80 -0.858 5.803 6.283 1.00 0.00 H new ATOM 0 HA LEU A 80 2.002 5.781 5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.782 4.562 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.339 5.898 3.636 1.00 0.00 H new ATOM 0 HG LEU A 80 1.528 7.364 2.900 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.690 6.346 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.365 6.230 4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.153 4.803 3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.824 6.327 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.217 4.783 1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.142 6.199 1.251 1.00 0.00 H new ATOM 1291 N GLY A 81 1.527 8.127 6.460 1.00 0.00 N ATOM 1292 CA GLY A 81 1.459 9.559 6.704 1.00 0.00 C ATOM 1293 C GLY A 81 0.030 10.054 6.834 1.00 0.00 C ATOM 1294 O GLY A 81 -0.438 10.835 6.007 1.00 0.00 O ATOM 0 H GLY A 81 2.130 7.611 7.101 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.008 9.796 7.615 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.952 10.088 5.888 1.00 0.00 H new ATOM 1298 N GLN A 82 -0.661 9.576 7.872 1.00 0.00 N ATOM 1299 CA GLN A 82 -2.060 9.935 8.142 1.00 0.00 C ATOM 1300 C GLN A 82 -3.009 8.992 7.416 1.00 0.00 C ATOM 1301 O GLN A 82 -4.125 8.748 7.874 1.00 0.00 O ATOM 1302 CB GLN A 82 -2.374 11.381 7.745 1.00 0.00 C ATOM 1303 CG GLN A 82 -1.447 12.403 8.384 1.00 0.00 C ATOM 1304 CD GLN A 82 -1.496 12.366 9.898 1.00 0.00 C ATOM 1305 OE1 GLN A 82 -1.203 11.341 10.515 1.00 0.00 O ATOM 1306 NE2 GLN A 82 -1.865 13.488 10.507 1.00 0.00 N ATOM 0 H GLN A 82 -0.267 8.927 8.553 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.205 9.841 9.218 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.310 11.473 6.661 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.402 11.611 8.025 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.425 12.219 8.052 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.719 13.401 8.039 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -2.099 14.314 9.956 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.914 13.523 11.525 1.00 0.00 H new ATOM 1315 N VAL A 83 -2.563 8.454 6.284 1.00 0.00 N ATOM 1316 CA VAL A 83 -3.380 7.536 5.512 1.00 0.00 C ATOM 1317 C VAL A 83 -3.367 6.159 6.154 1.00 0.00 C ATOM 1318 O VAL A 83 -2.503 5.853 6.972 1.00 0.00 O ATOM 1319 CB VAL A 83 -2.887 7.421 4.056 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -3.856 6.600 3.220 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -2.684 8.802 3.451 1.00 0.00 C ATOM 0 H VAL A 83 -1.643 8.640 5.886 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.395 7.933 5.501 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.927 6.905 4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.487 6.533 2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.942 5.598 3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.835 7.080 3.222 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.336 8.701 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.628 9.347 3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.942 9.349 4.033 1.00 0.00 H new ATOM 1331 N ALA A 84 -4.329 5.333 5.783 1.00 0.00 N ATOM 1332 CA ALA A 84 -4.425 3.992 6.324 1.00 0.00 C ATOM 1333 C ALA A 84 -4.785 3.000 5.233 1.00 0.00 C ATOM 1334 O ALA A 84 -5.944 2.900 4.825 1.00 0.00 O ATOM 1335 CB ALA A 84 -5.448 3.948 7.448 1.00 0.00 C ATOM 0 H ALA A 84 -5.056 5.570 5.108 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.453 3.712 6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.509 2.935 7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.146 4.631 8.242 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -6.423 4.247 7.064 1.00 0.00 H new ATOM 1341 N ILE A 85 -3.787 2.267 4.760 1.00 0.00 N ATOM 1342 CA ILE A 85 -4.001 1.284 3.716 1.00 0.00 C ATOM 1343 C ILE A 85 -4.359 -0.064 4.309 1.00 0.00 C ATOM 1344 O ILE A 85 -3.851 -0.455 5.361 1.00 0.00 O ATOM 1345 CB ILE A 85 -2.772 1.146 2.792 1.00 0.00 C ATOM 1346 CG1 ILE A 85 -2.795 2.256 1.750 1.00 0.00 C ATOM 1347 CG2 ILE A 85 -2.738 -0.220 2.113 1.00 0.00 C ATOM 1348 CD1 ILE A 85 -1.637 2.203 0.777 1.00 0.00 C ATOM 0 H ILE A 85 -2.823 2.337 5.085 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.835 1.639 3.111 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.871 1.234 3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.730 2.199 1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.786 3.220 2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.861 -0.285 1.470 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.691 -1.002 2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.638 -0.351 1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.722 3.024 0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.698 2.292 1.324 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.656 1.255 0.240 1.00 0.00 H new ATOM 1360 N LEU A 86 -5.239 -0.766 3.622 1.00 0.00 N ATOM 1361 CA LEU A 86 -5.678 -2.076 4.068 1.00 0.00 C ATOM 1362 C LEU A 86 -5.802 -3.038 2.896 1.00 0.00 C ATOM 1363 O LEU A 86 -6.688 -2.896 2.053 1.00 0.00 O ATOM 1364 CB LEU A 86 -7.014 -1.975 4.806 1.00 0.00 C ATOM 1365 CG LEU A 86 -8.121 -1.237 4.050 1.00 0.00 C ATOM 1366 CD1 LEU A 86 -9.464 -1.446 4.732 1.00 0.00 C ATOM 1367 CD2 LEU A 86 -7.797 0.248 3.957 1.00 0.00 C ATOM 0 H LEU A 86 -5.666 -0.451 2.751 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.925 -2.464 4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -7.362 -2.982 5.035 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.848 -1.471 5.758 1.00 0.00 H new ATOM 0 HG LEU A 86 -8.182 -1.644 3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -10.239 -0.914 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.700 -2.510 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.418 -1.064 5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -8.593 0.761 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -7.712 0.665 4.960 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -6.854 0.382 3.427 1.00 0.00 H new ATOM 1379 N LEU A 87 -4.913 -4.018 2.853 1.00 0.00 N ATOM 1380 CA LEU A 87 -4.917 -5.013 1.791 1.00 0.00 C ATOM 1381 C LEU A 87 -5.323 -6.371 2.344 1.00 0.00 C ATOM 1382 O LEU A 87 -4.618 -6.957 3.167 1.00 0.00 O ATOM 1383 CB LEU A 87 -3.539 -5.073 1.123 1.00 0.00 C ATOM 1384 CG LEU A 87 -3.334 -6.214 0.127 1.00 0.00 C ATOM 1385 CD1 LEU A 87 -2.216 -5.870 -0.846 1.00 0.00 C ATOM 1386 CD2 LEU A 87 -3.004 -7.504 0.862 1.00 0.00 C ATOM 0 H LEU A 87 -4.175 -4.146 3.546 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.648 -4.728 1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.365 -4.129 0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.781 -5.155 1.902 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.258 -6.355 -0.433 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.081 -6.691 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.475 -4.963 -1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.290 -5.709 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.861 -8.308 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.090 -7.369 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.824 -7.761 1.533 1.00 0.00 H new ATOM 1398 N PHE A 88 -6.479 -6.860 1.902 1.00 0.00 N ATOM 1399 CA PHE A 88 -6.996 -8.138 2.369 1.00 0.00 C ATOM 1400 C PHE A 88 -7.657 -8.922 1.240 1.00 0.00 C ATOM 1401 O PHE A 88 -8.142 -8.347 0.266 1.00 0.00 O ATOM 1402 CB PHE A 88 -8.008 -7.908 3.494 1.00 0.00 C ATOM 1403 CG PHE A 88 -9.181 -7.066 3.079 1.00 0.00 C ATOM 1404 CD1 PHE A 88 -9.004 -5.747 2.693 1.00 0.00 C ATOM 1405 CD2 PHE A 88 -10.462 -7.596 3.073 1.00 0.00 C ATOM 1406 CE1 PHE A 88 -10.082 -4.972 2.308 1.00 0.00 C ATOM 1407 CE2 PHE A 88 -11.543 -6.825 2.689 1.00 0.00 C ATOM 1408 CZ PHE A 88 -11.353 -5.512 2.305 1.00 0.00 C ATOM 0 H PHE A 88 -7.074 -6.388 1.221 1.00 0.00 H new ATOM 0 HA PHE A 88 -6.155 -8.723 2.740 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -8.370 -8.873 3.849 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -7.504 -7.428 4.333 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.012 -5.319 2.693 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.617 -8.622 3.372 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -9.930 -3.945 2.010 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.536 -7.249 2.689 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.197 -4.909 2.003 1.00 0.00 H new ATOM 1418 N LYS A 89 -7.685 -10.242 1.395 1.00 0.00 N ATOM 1419 CA LYS A 89 -8.301 -11.124 0.411 1.00 0.00 C ATOM 1420 C LYS A 89 -9.136 -12.187 1.112 1.00 0.00 C ATOM 1421 O LYS A 89 -8.601 -13.082 1.764 1.00 0.00 O ATOM 1422 CB LYS A 89 -7.235 -11.776 -0.475 1.00 0.00 C ATOM 1423 CG LYS A 89 -7.799 -12.772 -1.479 1.00 0.00 C ATOM 1424 CD LYS A 89 -7.713 -14.202 -0.971 1.00 0.00 C ATOM 1425 CE LYS A 89 -6.272 -14.674 -0.890 1.00 0.00 C ATOM 1426 NZ LYS A 89 -6.173 -16.078 -0.402 1.00 0.00 N ATOM 0 H LYS A 89 -7.285 -10.726 2.199 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.954 -10.529 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.696 -10.996 -1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.509 -12.285 0.160 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.839 -12.524 -1.690 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.254 -12.688 -2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -8.175 -14.269 0.014 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.276 -14.860 -1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.810 -14.598 -1.874 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.712 -14.018 -0.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.262 -16.214 0.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.949 -16.270 0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.238 -16.731 -1.209 1.00 0.00 H new ATOM 1440 N SER A 90 -10.453 -12.075 0.978 1.00 0.00 N ATOM 1441 CA SER A 90 -11.366 -13.021 1.606 1.00 0.00 C ATOM 1442 C SER A 90 -11.784 -14.106 0.621 1.00 0.00 C ATOM 1443 O SER A 90 -12.861 -14.689 0.741 1.00 0.00 O ATOM 1444 CB SER A 90 -12.600 -12.294 2.139 1.00 0.00 C ATOM 1445 OG SER A 90 -12.239 -11.322 3.105 1.00 0.00 O ATOM 0 H SER A 90 -10.911 -11.339 0.441 1.00 0.00 H new ATOM 0 HA SER A 90 -10.846 -13.493 2.439 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.128 -11.814 1.315 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.288 -13.014 2.582 1.00 0.00 H new ATOM 0 HG SER A 90 -12.951 -11.245 3.774 1.00 0.00 H new ATOM 1451 N GLY A 91 -10.921 -14.371 -0.350 1.00 0.00 N ATOM 1452 CA GLY A 91 -11.209 -15.385 -1.348 1.00 0.00 C ATOM 1453 C GLY A 91 -11.413 -16.757 -0.736 1.00 0.00 C ATOM 1454 O GLY A 91 -10.461 -17.279 -0.119 1.00 0.00 O ATOM 1455 OXT GLY A 91 -12.526 -17.310 -0.874 1.00 0.00 O ATOM 0 H GLY A 91 -10.023 -13.901 -0.466 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.103 -15.101 -1.903 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.389 -15.428 -2.065 1.00 0.00 H new