USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 519 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 34 CYS SG : rot -76:sc= -1.12! USER MOD Set 1.2: A 37 CYS SG : rot -62:sc= -0.389 USER MOD Set 1.3: A 54 CYS SG : rot 134:sc= 1 USER MOD Set 1.4: A 58 HIS : no HE2:sc= -0.57 K(o=-1.1,f=-10!) USER MOD Set 2.1: A 5 CYS SG : rot 135:sc= 0.584 USER MOD Set 2.2: A 8 CYS SG : rot 170:sc= 0.233 USER MOD Set 2.3: A 10 HIS : no HD1:sc= -0.453 K(o=-4.9,f=-11!) USER MOD Set 2.4: A 21 CYS SG : rot -168:sc= -3.12! USER MOD Set 2.5: A 23 SER OG : rot -139:sc= 0.894 USER MOD Set 2.6: A 24 CYS SG : rot 137:sc= -3.06! USER MOD Single : A 4 HIS : no HD1:sc= -0.118 X(o=-0.12,f=-0.014) USER MOD Single : A 7 GLN : amide:sc= -1.31! K(o=-1.3!,f=-0.022) USER MOD Single : A 9 GLN : amide:sc= -1.92! C(o=-1.9!,f=-7.3!) USER MOD Single : A 14 GLN : amide:sc= -3.05! C(o=-3!,f=-8.4!) USER MOD Single : A 16 ASN : amide:sc=-0.00756 X(o=-0.0076,f=-0.23) USER MOD Single : A 18 HIS : no HD1:sc= -0.699 K(o=-0.7,f=0) USER MOD Single : A 30 MET CE :methyl -119:sc= 0 (180deg=-2.47!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= -0.572 K(o=-0.57,f=-3.6!) USER MOD Single : A 42 GLN : amide:sc= -1.17 K(o=-1.2,f=-6.3!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.432 X(o=-0.43,f=-0.65) USER MOD Single : A 56 HIS : no HE2:sc= -2.06 K(o=-2.1,f=-4.7!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 3 64.170 -3.270 10.166 1.00 0.00 N ATOM 34 CA LEU A 3 64.379 -2.356 9.058 1.00 0.00 C ATOM 35 C LEU A 3 64.731 -0.988 9.630 1.00 0.00 C ATOM 36 O LEU A 3 63.947 -0.406 10.375 1.00 0.00 O ATOM 37 CB LEU A 3 63.123 -2.271 8.184 1.00 0.00 C ATOM 38 CG LEU A 3 63.261 -1.416 6.923 1.00 0.00 C ATOM 39 CD1 LEU A 3 64.340 -1.981 6.011 1.00 0.00 C ATOM 40 CD2 LEU A 3 61.929 -1.335 6.191 1.00 0.00 C ATOM 0 HA LEU A 3 65.192 -2.715 8.427 1.00 0.00 H new ATOM 0 HB2 LEU A 3 62.837 -3.280 7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 3 62.307 -1.871 8.787 1.00 0.00 H new ATOM 0 HG LEU A 3 63.555 -0.409 7.217 1.00 0.00 H new ATOM 0 HD11 LEU A 3 64.424 -1.360 5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 3 65.294 -1.990 6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 3 64.076 -2.998 5.721 1.00 0.00 H new ATOM 0 HD21 LEU A 3 62.042 -0.723 5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 3 61.608 -2.337 5.907 1.00 0.00 H new ATOM 0 HD23 LEU A 3 61.181 -0.886 6.845 1.00 0.00 H new ATOM 52 N HIS A 4 65.920 -0.501 9.321 1.00 0.00 N ATOM 53 CA HIS A 4 66.411 0.736 9.914 1.00 0.00 C ATOM 54 C HIS A 4 66.205 1.906 8.959 1.00 0.00 C ATOM 55 O HIS A 4 66.235 1.733 7.742 1.00 0.00 O ATOM 56 CB HIS A 4 67.893 0.599 10.289 1.00 0.00 C ATOM 57 CG HIS A 4 68.148 -0.328 11.448 1.00 0.00 C ATOM 58 ND1 HIS A 4 69.089 -0.074 12.418 1.00 0.00 N ATOM 59 CD2 HIS A 4 67.579 -1.513 11.789 1.00 0.00 C ATOM 60 CE1 HIS A 4 69.088 -1.057 13.302 1.00 0.00 C ATOM 61 NE2 HIS A 4 68.182 -1.945 12.946 1.00 0.00 N ATOM 0 H HIS A 4 66.565 -0.941 8.664 1.00 0.00 H new ATOM 0 HA HIS A 4 65.843 0.933 10.823 1.00 0.00 H new ATOM 0 HB2 HIS A 4 68.445 0.239 9.421 1.00 0.00 H new ATOM 0 HB3 HIS A 4 68.288 1.585 10.532 1.00 0.00 H new ATOM 0 HD2 HIS A 4 66.795 -2.023 11.249 1.00 0.00 H new ATOM 0 HE1 HIS A 4 69.725 -1.122 14.172 1.00 0.00 H new ATOM 0 HE2 HIS A 4 67.965 -2.808 13.445 1.00 0.00 H new ATOM 70 N CYS A 5 65.996 3.093 9.516 1.00 0.00 N ATOM 71 CA CYS A 5 65.707 4.274 8.715 1.00 0.00 C ATOM 72 C CYS A 5 66.989 4.876 8.150 1.00 0.00 C ATOM 73 O CYS A 5 67.845 5.322 8.899 1.00 0.00 O ATOM 74 CB CYS A 5 64.927 5.301 9.546 1.00 0.00 C ATOM 75 SG CYS A 5 65.395 5.396 11.301 1.00 0.00 S ATOM 0 H CYS A 5 66.022 3.262 10.522 1.00 0.00 H new ATOM 0 HA CYS A 5 65.085 3.978 7.870 1.00 0.00 H new ATOM 0 HB2 CYS A 5 65.062 6.285 9.097 1.00 0.00 H new ATOM 0 HB3 CYS A 5 63.865 5.064 9.482 1.00 0.00 H new ATOM 0 HG CYS A 5 65.516 6.642 11.651 1.00 0.00 H new ATOM 80 N PRO A 6 67.104 4.918 6.813 1.00 0.00 N ATOM 81 CA PRO A 6 68.348 5.268 6.100 1.00 0.00 C ATOM 82 C PRO A 6 69.084 6.494 6.643 1.00 0.00 C ATOM 83 O PRO A 6 70.287 6.440 6.890 1.00 0.00 O ATOM 84 CB PRO A 6 67.863 5.539 4.679 1.00 0.00 C ATOM 85 CG PRO A 6 66.669 4.670 4.521 1.00 0.00 C ATOM 86 CD PRO A 6 66.009 4.620 5.871 1.00 0.00 C ATOM 0 HA PRO A 6 69.081 4.468 6.201 1.00 0.00 H new ATOM 0 HB2 PRO A 6 67.610 6.590 4.540 1.00 0.00 H new ATOM 0 HB3 PRO A 6 68.631 5.296 3.944 1.00 0.00 H new ATOM 0 HG2 PRO A 6 65.990 5.073 3.770 1.00 0.00 H new ATOM 0 HG3 PRO A 6 66.955 3.672 4.189 1.00 0.00 H new ATOM 0 HD2 PRO A 6 65.204 5.351 5.950 1.00 0.00 H new ATOM 0 HD3 PRO A 6 65.570 3.641 6.065 1.00 0.00 H new ATOM 94 N GLN A 7 68.370 7.594 6.822 1.00 0.00 N ATOM 95 CA GLN A 7 69.000 8.860 7.186 1.00 0.00 C ATOM 96 C GLN A 7 69.371 8.909 8.668 1.00 0.00 C ATOM 97 O GLN A 7 70.508 9.218 9.031 1.00 0.00 O ATOM 98 CB GLN A 7 68.058 10.013 6.842 1.00 0.00 C ATOM 99 CG GLN A 7 68.631 11.390 7.123 1.00 0.00 C ATOM 100 CD GLN A 7 67.700 12.503 6.688 1.00 0.00 C ATOM 101 OE1 GLN A 7 67.689 13.581 7.277 1.00 0.00 O ATOM 102 NE2 GLN A 7 66.917 12.251 5.650 1.00 0.00 N ATOM 0 H GLN A 7 67.356 7.639 6.722 1.00 0.00 H new ATOM 0 HA GLN A 7 69.925 8.952 6.617 1.00 0.00 H new ATOM 0 HB2 GLN A 7 67.795 9.950 5.786 1.00 0.00 H new ATOM 0 HB3 GLN A 7 67.134 9.894 7.408 1.00 0.00 H new ATOM 0 HG2 GLN A 7 68.833 11.485 8.190 1.00 0.00 H new ATOM 0 HG3 GLN A 7 69.585 11.496 6.607 1.00 0.00 H new ATOM 0 HE21 GLN A 7 66.958 11.342 5.189 1.00 0.00 H new ATOM 0 HE22 GLN A 7 66.273 12.966 5.311 1.00 0.00 H new ATOM 111 N CYS A 8 68.407 8.600 9.512 1.00 0.00 N ATOM 112 CA CYS A 8 68.552 8.763 10.954 1.00 0.00 C ATOM 113 C CYS A 8 69.149 7.520 11.621 1.00 0.00 C ATOM 114 O CYS A 8 69.903 7.631 12.587 1.00 0.00 O ATOM 115 CB CYS A 8 67.181 9.083 11.528 1.00 0.00 C ATOM 116 SG CYS A 8 65.839 8.776 10.346 1.00 0.00 S ATOM 0 H CYS A 8 67.501 8.229 9.224 1.00 0.00 H new ATOM 0 HA CYS A 8 69.250 9.576 11.155 1.00 0.00 H new ATOM 0 HB2 CYS A 8 67.017 8.482 12.422 1.00 0.00 H new ATOM 0 HB3 CYS A 8 67.156 10.128 11.837 1.00 0.00 H new ATOM 0 HG CYS A 8 64.695 8.860 10.957 1.00 0.00 H new ATOM 121 N GLN A 9 68.805 6.352 11.083 1.00 0.00 N ATOM 122 CA GLN A 9 69.299 5.056 11.560 1.00 0.00 C ATOM 123 C GLN A 9 68.843 4.721 12.979 1.00 0.00 C ATOM 124 O GLN A 9 69.349 5.261 13.962 1.00 0.00 O ATOM 125 CB GLN A 9 70.823 4.970 11.456 1.00 0.00 C ATOM 126 CG GLN A 9 71.337 4.968 10.022 1.00 0.00 C ATOM 127 CD GLN A 9 70.925 3.729 9.241 1.00 0.00 C ATOM 128 OE1 GLN A 9 69.872 3.136 9.484 1.00 0.00 O ATOM 129 NE2 GLN A 9 71.760 3.328 8.296 1.00 0.00 N ATOM 0 H GLN A 9 68.166 6.275 10.292 1.00 0.00 H new ATOM 0 HA GLN A 9 68.856 4.309 10.902 1.00 0.00 H new ATOM 0 HB2 GLN A 9 71.263 5.812 11.990 1.00 0.00 H new ATOM 0 HB3 GLN A 9 71.162 4.063 11.956 1.00 0.00 H new ATOM 0 HG2 GLN A 9 70.965 5.854 9.508 1.00 0.00 H new ATOM 0 HG3 GLN A 9 72.425 5.038 10.032 1.00 0.00 H new ATOM 0 HE21 GLN A 9 72.622 3.845 8.124 1.00 0.00 H new ATOM 0 HE22 GLN A 9 71.541 2.502 7.739 1.00 0.00 H new ATOM 138 N HIS A 10 67.869 3.821 13.060 1.00 0.00 N ATOM 139 CA HIS A 10 67.441 3.230 14.324 1.00 0.00 C ATOM 140 C HIS A 10 66.460 2.102 14.042 1.00 0.00 C ATOM 141 O HIS A 10 66.793 0.931 14.185 1.00 0.00 O ATOM 142 CB HIS A 10 66.796 4.262 15.257 1.00 0.00 C ATOM 143 CG HIS A 10 66.525 3.729 16.635 1.00 0.00 C ATOM 144 ND1 HIS A 10 65.263 3.387 17.081 1.00 0.00 N ATOM 145 CD2 HIS A 10 67.364 3.475 17.668 1.00 0.00 C ATOM 146 CE1 HIS A 10 65.340 2.949 18.324 1.00 0.00 C ATOM 147 NE2 HIS A 10 66.600 2.991 18.703 1.00 0.00 N ATOM 0 H HIS A 10 67.352 3.480 12.249 1.00 0.00 H new ATOM 0 HA HIS A 10 68.325 2.845 14.831 1.00 0.00 H new ATOM 0 HB2 HIS A 10 67.449 5.131 15.333 1.00 0.00 H new ATOM 0 HB3 HIS A 10 65.860 4.605 14.817 1.00 0.00 H new ATOM 0 HD2 HIS A 10 68.434 3.625 17.677 1.00 0.00 H new ATOM 0 HE1 HIS A 10 64.510 2.613 18.928 1.00 0.00 H new ATOM 0 HE2 HIS A 10 66.953 2.710 19.618 1.00 0.00 H new ATOM 156 N VAL A 11 65.258 2.465 13.610 1.00 0.00 N ATOM 157 CA VAL A 11 64.235 1.483 13.280 1.00 0.00 C ATOM 158 C VAL A 11 63.063 2.159 12.567 1.00 0.00 C ATOM 159 O VAL A 11 62.778 3.339 12.798 1.00 0.00 O ATOM 160 CB VAL A 11 63.727 0.732 14.541 1.00 0.00 C ATOM 161 CG1 VAL A 11 62.914 1.651 15.442 1.00 0.00 C ATOM 162 CG2 VAL A 11 62.920 -0.500 14.154 1.00 0.00 C ATOM 0 H VAL A 11 64.969 3.434 13.480 1.00 0.00 H new ATOM 0 HA VAL A 11 64.689 0.748 12.615 1.00 0.00 H new ATOM 0 HB VAL A 11 64.601 0.402 15.103 1.00 0.00 H new ATOM 0 HG11 VAL A 11 62.573 1.095 16.316 1.00 0.00 H new ATOM 0 HG12 VAL A 11 63.535 2.488 15.763 1.00 0.00 H new ATOM 0 HG13 VAL A 11 62.052 2.029 14.893 1.00 0.00 H new ATOM 0 HG21 VAL A 11 62.576 -1.008 15.055 1.00 0.00 H new ATOM 0 HG22 VAL A 11 62.060 -0.198 13.557 1.00 0.00 H new ATOM 0 HG23 VAL A 11 63.546 -1.177 13.573 1.00 0.00 H new ATOM 172 N LEU A 12 62.428 1.419 11.674 1.00 0.00 N ATOM 173 CA LEU A 12 61.239 1.883 10.979 1.00 0.00 C ATOM 174 C LEU A 12 60.016 1.136 11.483 1.00 0.00 C ATOM 175 O LEU A 12 60.014 -0.093 11.553 1.00 0.00 O ATOM 176 CB LEU A 12 61.389 1.679 9.470 1.00 0.00 C ATOM 177 CG LEU A 12 62.280 2.693 8.757 1.00 0.00 C ATOM 178 CD1 LEU A 12 62.521 2.272 7.317 1.00 0.00 C ATOM 179 CD2 LEU A 12 61.645 4.071 8.806 1.00 0.00 C ATOM 0 H LEU A 12 62.722 0.479 11.410 1.00 0.00 H new ATOM 0 HA LEU A 12 61.114 2.947 11.178 1.00 0.00 H new ATOM 0 HB2 LEU A 12 61.790 0.681 9.294 1.00 0.00 H new ATOM 0 HB3 LEU A 12 60.398 1.709 9.016 1.00 0.00 H new ATOM 0 HG LEU A 12 63.242 2.731 9.268 1.00 0.00 H new ATOM 0 HD11 LEU A 12 63.158 3.007 6.825 1.00 0.00 H new ATOM 0 HD12 LEU A 12 63.010 1.298 7.300 1.00 0.00 H new ATOM 0 HD13 LEU A 12 61.568 2.209 6.792 1.00 0.00 H new ATOM 0 HD21 LEU A 12 62.289 4.787 8.295 1.00 0.00 H new ATOM 0 HD22 LEU A 12 60.673 4.041 8.314 1.00 0.00 H new ATOM 0 HD23 LEU A 12 61.517 4.376 9.845 1.00 0.00 H new ATOM 191 N ASP A 13 58.987 1.883 11.849 1.00 0.00 N ATOM 192 CA ASP A 13 57.750 1.295 12.336 1.00 0.00 C ATOM 193 C ASP A 13 56.670 1.403 11.267 1.00 0.00 C ATOM 194 O ASP A 13 55.935 2.391 11.199 1.00 0.00 O ATOM 195 CB ASP A 13 57.298 1.989 13.627 1.00 0.00 C ATOM 196 CG ASP A 13 56.139 1.289 14.308 1.00 0.00 C ATOM 197 OD1 ASP A 13 56.393 0.342 15.088 1.00 0.00 O ATOM 198 OD2 ASP A 13 54.981 1.705 14.107 1.00 0.00 O ATOM 0 H ASP A 13 58.984 2.903 11.818 1.00 0.00 H new ATOM 0 HA ASP A 13 57.923 0.242 12.557 1.00 0.00 H new ATOM 0 HB2 ASP A 13 58.140 2.040 14.318 1.00 0.00 H new ATOM 0 HB3 ASP A 13 57.010 3.015 13.398 1.00 0.00 H new ATOM 203 N GLN A 14 56.620 0.410 10.394 1.00 0.00 N ATOM 204 CA GLN A 14 55.614 0.367 9.343 1.00 0.00 C ATOM 205 C GLN A 14 54.537 -0.649 9.688 1.00 0.00 C ATOM 206 O GLN A 14 54.819 -1.832 9.879 1.00 0.00 O ATOM 207 CB GLN A 14 56.229 0.044 7.971 1.00 0.00 C ATOM 208 CG GLN A 14 57.127 -1.187 7.948 1.00 0.00 C ATOM 209 CD GLN A 14 58.512 -0.903 8.493 1.00 0.00 C ATOM 210 OE1 GLN A 14 59.024 0.200 8.354 1.00 0.00 O ATOM 211 NE2 GLN A 14 59.122 -1.888 9.129 1.00 0.00 N ATOM 0 H GLN A 14 57.266 -0.380 10.392 1.00 0.00 H new ATOM 0 HA GLN A 14 55.167 1.359 9.277 1.00 0.00 H new ATOM 0 HB2 GLN A 14 55.423 -0.098 7.251 1.00 0.00 H new ATOM 0 HB3 GLN A 14 56.807 0.905 7.636 1.00 0.00 H new ATOM 0 HG2 GLN A 14 56.665 -1.981 8.534 1.00 0.00 H new ATOM 0 HG3 GLN A 14 57.210 -1.553 6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 14 58.664 -2.794 9.225 1.00 0.00 H new ATOM 0 HE22 GLN A 14 60.051 -1.742 9.524 1.00 0.00 H new ATOM 220 N ASP A 15 53.307 -0.175 9.781 1.00 0.00 N ATOM 221 CA ASP A 15 52.180 -1.025 10.146 1.00 0.00 C ATOM 222 C ASP A 15 50.887 -0.471 9.560 1.00 0.00 C ATOM 223 O ASP A 15 50.048 -1.210 9.050 1.00 0.00 O ATOM 224 CB ASP A 15 52.070 -1.124 11.671 1.00 0.00 C ATOM 225 CG ASP A 15 50.994 -2.091 12.121 1.00 0.00 C ATOM 226 OD1 ASP A 15 51.259 -3.307 12.163 1.00 0.00 O ATOM 227 OD2 ASP A 15 49.879 -1.638 12.453 1.00 0.00 O ATOM 0 H ASP A 15 53.059 0.799 9.608 1.00 0.00 H new ATOM 0 HA ASP A 15 52.347 -2.022 9.738 1.00 0.00 H new ATOM 0 HB2 ASP A 15 53.030 -1.440 12.080 1.00 0.00 H new ATOM 0 HB3 ASP A 15 51.858 -0.136 12.080 1.00 0.00 H new ATOM 232 N ASN A 16 50.744 0.844 9.645 1.00 0.00 N ATOM 233 CA ASN A 16 49.585 1.543 9.091 1.00 0.00 C ATOM 234 C ASN A 16 49.645 1.597 7.566 1.00 0.00 C ATOM 235 O ASN A 16 48.643 1.400 6.884 1.00 0.00 O ATOM 236 CB ASN A 16 49.524 2.966 9.659 1.00 0.00 C ATOM 237 CG ASN A 16 48.562 3.868 8.905 1.00 0.00 C ATOM 238 OD1 ASN A 16 48.944 4.517 7.928 1.00 0.00 O ATOM 239 ND2 ASN A 16 47.323 3.936 9.361 1.00 0.00 N ATOM 0 H ASN A 16 51.422 1.457 10.097 1.00 0.00 H new ATOM 0 HA ASN A 16 48.687 0.993 9.374 1.00 0.00 H new ATOM 0 HB2 ASN A 16 49.225 2.920 10.706 1.00 0.00 H new ATOM 0 HB3 ASN A 16 50.521 3.405 9.631 1.00 0.00 H new ATOM 0 HD21 ASN A 16 46.643 4.542 8.902 1.00 0.00 H new ATOM 0 HD22 ASN A 16 47.047 3.383 10.172 1.00 0.00 H new ATOM 246 N GLY A 17 50.833 1.858 7.046 1.00 0.00 N ATOM 247 CA GLY A 17 51.001 2.047 5.618 1.00 0.00 C ATOM 248 C GLY A 17 52.087 3.058 5.333 1.00 0.00 C ATOM 249 O GLY A 17 52.604 3.146 4.223 1.00 0.00 O ATOM 0 H GLY A 17 51.691 1.943 7.590 1.00 0.00 H new ATOM 0 HA2 GLY A 17 51.251 1.096 5.148 1.00 0.00 H new ATOM 0 HA3 GLY A 17 50.062 2.382 5.178 1.00 0.00 H new ATOM 253 N HIS A 18 52.407 3.841 6.348 1.00 0.00 N ATOM 254 CA HIS A 18 53.537 4.747 6.289 1.00 0.00 C ATOM 255 C HIS A 18 54.660 4.205 7.156 1.00 0.00 C ATOM 256 O HIS A 18 54.410 3.429 8.082 1.00 0.00 O ATOM 257 CB HIS A 18 53.143 6.145 6.774 1.00 0.00 C ATOM 258 CG HIS A 18 52.167 6.855 5.887 1.00 0.00 C ATOM 259 ND1 HIS A 18 50.935 7.287 6.321 1.00 0.00 N ATOM 260 CD2 HIS A 18 52.258 7.229 4.587 1.00 0.00 C ATOM 261 CE1 HIS A 18 50.308 7.895 5.331 1.00 0.00 C ATOM 262 NE2 HIS A 18 51.090 7.873 4.268 1.00 0.00 N ATOM 0 H HIS A 18 51.894 3.866 7.229 1.00 0.00 H new ATOM 0 HA HIS A 18 53.869 4.824 5.254 1.00 0.00 H new ATOM 0 HB2 HIS A 18 52.714 6.062 7.773 1.00 0.00 H new ATOM 0 HB3 HIS A 18 54.043 6.753 6.863 1.00 0.00 H new ATOM 0 HD2 HIS A 18 53.094 7.053 3.926 1.00 0.00 H new ATOM 0 HE1 HIS A 18 49.323 8.335 5.382 1.00 0.00 H new ATOM 0 HE2 HIS A 18 50.862 8.271 3.357 1.00 0.00 H new ATOM 271 N ALA A 19 55.884 4.607 6.860 1.00 0.00 N ATOM 272 CA ALA A 19 57.029 4.193 7.651 1.00 0.00 C ATOM 273 C ALA A 19 57.287 5.218 8.741 1.00 0.00 C ATOM 274 O ALA A 19 57.837 6.295 8.490 1.00 0.00 O ATOM 275 CB ALA A 19 58.256 4.011 6.772 1.00 0.00 C ATOM 0 H ALA A 19 56.110 5.220 6.077 1.00 0.00 H new ATOM 0 HA ALA A 19 56.813 3.231 8.115 1.00 0.00 H new ATOM 0 HB1 ALA A 19 59.101 3.701 7.387 1.00 0.00 H new ATOM 0 HB2 ALA A 19 58.055 3.248 6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 19 58.493 4.953 6.278 1.00 0.00 H new ATOM 281 N ARG A 20 56.857 4.894 9.945 1.00 0.00 N ATOM 282 CA ARG A 20 56.935 5.817 11.058 1.00 0.00 C ATOM 283 C ARG A 20 58.211 5.597 11.853 1.00 0.00 C ATOM 284 O ARG A 20 58.412 4.544 12.447 1.00 0.00 O ATOM 285 CB ARG A 20 55.712 5.643 11.961 1.00 0.00 C ATOM 286 CG ARG A 20 55.751 6.482 13.229 1.00 0.00 C ATOM 287 CD ARG A 20 54.505 6.261 14.073 1.00 0.00 C ATOM 288 NE ARG A 20 54.308 4.850 14.413 1.00 0.00 N ATOM 289 CZ ARG A 20 53.427 4.416 15.312 1.00 0.00 C ATOM 290 NH1 ARG A 20 52.680 5.281 15.992 1.00 0.00 N ATOM 291 NH2 ARG A 20 53.298 3.115 15.530 1.00 0.00 N ATOM 0 H ARG A 20 56.447 3.990 10.177 1.00 0.00 H new ATOM 0 HA ARG A 20 56.950 6.834 10.667 1.00 0.00 H new ATOM 0 HB2 ARG A 20 54.817 5.901 11.395 1.00 0.00 H new ATOM 0 HB3 ARG A 20 55.624 4.592 12.236 1.00 0.00 H new ATOM 0 HG2 ARG A 20 56.637 6.227 13.810 1.00 0.00 H new ATOM 0 HG3 ARG A 20 55.834 7.537 12.968 1.00 0.00 H new ATOM 0 HD2 ARG A 20 54.581 6.846 14.989 1.00 0.00 H new ATOM 0 HD3 ARG A 20 53.633 6.628 13.532 1.00 0.00 H new ATOM 0 HE ARG A 20 54.881 4.157 13.931 1.00 0.00 H new ATOM 0 HH11 ARG A 20 52.780 6.282 15.826 1.00 0.00 H new ATOM 0 HH12 ARG A 20 52.007 4.943 16.680 1.00 0.00 H new ATOM 0 HH21 ARG A 20 53.872 2.451 15.010 1.00 0.00 H new ATOM 0 HH22 ARG A 20 52.625 2.777 16.218 1.00 0.00 H new ATOM 305 N CYS A 21 59.081 6.584 11.852 1.00 0.00 N ATOM 306 CA CYS A 21 60.253 6.539 12.700 1.00 0.00 C ATOM 307 C CYS A 21 59.869 6.927 14.119 1.00 0.00 C ATOM 308 O CYS A 21 59.841 8.109 14.452 1.00 0.00 O ATOM 309 CB CYS A 21 61.338 7.479 12.187 1.00 0.00 C ATOM 310 SG CYS A 21 62.235 6.906 10.717 1.00 0.00 S ATOM 0 H CYS A 21 59.000 7.423 11.277 1.00 0.00 H new ATOM 0 HA CYS A 21 60.648 5.523 12.688 1.00 0.00 H new ATOM 0 HB2 CYS A 21 60.882 8.443 11.961 1.00 0.00 H new ATOM 0 HB3 CYS A 21 62.058 7.647 12.988 1.00 0.00 H new ATOM 0 HG CYS A 21 63.282 7.653 10.529 1.00 0.00 H new ATOM 315 N ARG A 22 59.546 5.930 14.935 1.00 0.00 N ATOM 316 CA ARG A 22 59.122 6.169 16.311 1.00 0.00 C ATOM 317 C ARG A 22 60.147 7.007 17.074 1.00 0.00 C ATOM 318 O ARG A 22 59.807 8.036 17.655 1.00 0.00 O ATOM 319 CB ARG A 22 58.893 4.842 17.037 1.00 0.00 C ATOM 320 CG ARG A 22 58.570 5.010 18.513 1.00 0.00 C ATOM 321 CD ARG A 22 58.443 3.673 19.217 1.00 0.00 C ATOM 322 NE ARG A 22 58.395 3.830 20.670 1.00 0.00 N ATOM 323 CZ ARG A 22 58.797 2.895 21.527 1.00 0.00 C ATOM 324 NH1 ARG A 22 59.217 1.718 21.081 1.00 0.00 N ATOM 325 NH2 ARG A 22 58.774 3.129 22.834 1.00 0.00 N ATOM 0 H ARG A 22 59.570 4.946 14.667 1.00 0.00 H new ATOM 0 HA ARG A 22 58.186 6.726 16.275 1.00 0.00 H new ATOM 0 HB2 ARG A 22 58.076 4.307 16.552 1.00 0.00 H new ATOM 0 HB3 ARG A 22 59.784 4.222 16.936 1.00 0.00 H new ATOM 0 HG2 ARG A 22 59.352 5.600 18.991 1.00 0.00 H new ATOM 0 HG3 ARG A 22 57.639 5.567 18.620 1.00 0.00 H new ATOM 0 HD2 ARG A 22 57.540 3.166 18.876 1.00 0.00 H new ATOM 0 HD3 ARG A 22 59.287 3.038 18.947 1.00 0.00 H new ATOM 0 HE ARG A 22 58.033 4.706 21.048 1.00 0.00 H new ATOM 0 HH11 ARG A 22 59.232 1.528 20.079 1.00 0.00 H new ATOM 0 HH12 ARG A 22 59.525 1.003 21.740 1.00 0.00 H new ATOM 0 HH21 ARG A 22 58.447 4.029 23.185 1.00 0.00 H new ATOM 0 HH22 ARG A 22 59.083 2.409 23.487 1.00 0.00 H new ATOM 339 N SER A 23 61.397 6.569 17.052 1.00 0.00 N ATOM 340 CA SER A 23 62.459 7.235 17.794 1.00 0.00 C ATOM 341 C SER A 23 62.776 8.612 17.216 1.00 0.00 C ATOM 342 O SER A 23 63.033 9.565 17.952 1.00 0.00 O ATOM 343 CB SER A 23 63.714 6.363 17.774 1.00 0.00 C ATOM 344 OG SER A 23 64.073 6.023 16.441 1.00 0.00 O ATOM 0 H SER A 23 61.703 5.751 16.525 1.00 0.00 H new ATOM 0 HA SER A 23 62.118 7.378 18.819 1.00 0.00 H new ATOM 0 HB2 SER A 23 64.538 6.893 18.253 1.00 0.00 H new ATOM 0 HB3 SER A 23 63.540 5.455 18.351 1.00 0.00 H new ATOM 0 HG SER A 23 64.356 5.085 16.407 1.00 0.00 H new ATOM 350 N CYS A 24 62.750 8.714 15.896 1.00 0.00 N ATOM 351 CA CYS A 24 63.147 9.940 15.220 1.00 0.00 C ATOM 352 C CYS A 24 62.032 10.985 15.274 1.00 0.00 C ATOM 353 O CYS A 24 62.294 12.181 15.400 1.00 0.00 O ATOM 354 CB CYS A 24 63.500 9.642 13.766 1.00 0.00 C ATOM 355 SG CYS A 24 64.286 8.027 13.492 1.00 0.00 S ATOM 0 H CYS A 24 62.458 7.962 15.271 1.00 0.00 H new ATOM 0 HA CYS A 24 64.020 10.342 15.734 1.00 0.00 H new ATOM 0 HB2 CYS A 24 62.591 9.695 13.167 1.00 0.00 H new ATOM 0 HB3 CYS A 24 64.168 10.422 13.401 1.00 0.00 H new ATOM 0 HG CYS A 24 63.766 7.464 12.442 1.00 0.00 H new ATOM 360 N GLY A 25 60.790 10.523 15.176 1.00 0.00 N ATOM 361 CA GLY A 25 59.655 11.426 15.158 1.00 0.00 C ATOM 362 C GLY A 25 59.320 11.889 13.754 1.00 0.00 C ATOM 363 O GLY A 25 58.592 12.864 13.568 1.00 0.00 O ATOM 0 H GLY A 25 60.549 9.534 15.108 1.00 0.00 H new ATOM 0 HA2 GLY A 25 58.788 10.927 15.592 1.00 0.00 H new ATOM 0 HA3 GLY A 25 59.871 12.292 15.784 1.00 0.00 H new ATOM 367 N GLU A 26 59.855 11.188 12.764 1.00 0.00 N ATOM 368 CA GLU A 26 59.644 11.549 11.367 1.00 0.00 C ATOM 369 C GLU A 26 58.621 10.609 10.736 1.00 0.00 C ATOM 370 O GLU A 26 58.416 9.488 11.218 1.00 0.00 O ATOM 371 CB GLU A 26 60.970 11.488 10.597 1.00 0.00 C ATOM 372 CG GLU A 26 61.283 10.111 10.036 1.00 0.00 C ATOM 373 CD GLU A 26 62.765 9.827 9.924 1.00 0.00 C ATOM 374 OE1 GLU A 26 63.346 9.309 10.913 1.00 0.00 O ATOM 375 OE2 GLU A 26 63.347 10.049 8.850 1.00 0.00 O ATOM 0 H GLU A 26 60.440 10.364 12.902 1.00 0.00 H new ATOM 0 HA GLU A 26 59.262 12.569 11.319 1.00 0.00 H new ATOM 0 HB2 GLU A 26 60.939 12.207 9.778 1.00 0.00 H new ATOM 0 HB3 GLU A 26 61.780 11.794 11.259 1.00 0.00 H new ATOM 0 HG2 GLU A 26 60.823 9.355 10.673 1.00 0.00 H new ATOM 0 HG3 GLU A 26 60.828 10.017 9.050 1.00 0.00 H new ATOM 382 N PHE A 27 57.986 11.059 9.667 1.00 0.00 N ATOM 383 CA PHE A 27 57.024 10.239 8.950 1.00 0.00 C ATOM 384 C PHE A 27 57.456 10.060 7.501 1.00 0.00 C ATOM 385 O PHE A 27 57.582 11.033 6.757 1.00 0.00 O ATOM 386 CB PHE A 27 55.628 10.863 9.016 1.00 0.00 C ATOM 387 CG PHE A 27 55.015 10.817 10.387 1.00 0.00 C ATOM 388 CD1 PHE A 27 54.337 9.687 10.815 1.00 0.00 C ATOM 389 CD2 PHE A 27 55.117 11.900 11.247 1.00 0.00 C ATOM 390 CE1 PHE A 27 53.772 9.637 12.075 1.00 0.00 C ATOM 391 CE2 PHE A 27 54.555 11.856 12.508 1.00 0.00 C ATOM 392 CZ PHE A 27 53.882 10.723 12.922 1.00 0.00 C ATOM 0 H PHE A 27 58.120 11.991 9.275 1.00 0.00 H new ATOM 0 HA PHE A 27 56.985 9.259 9.426 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.687 11.901 8.688 1.00 0.00 H new ATOM 0 HB3 PHE A 27 54.973 10.344 8.316 1.00 0.00 H new ATOM 0 HD1 PHE A 27 54.249 8.836 10.156 1.00 0.00 H new ATOM 0 HD2 PHE A 27 55.642 12.788 10.927 1.00 0.00 H new ATOM 0 HE1 PHE A 27 53.245 8.751 12.397 1.00 0.00 H new ATOM 0 HE2 PHE A 27 54.642 12.706 13.169 1.00 0.00 H new ATOM 0 HZ PHE A 27 53.442 10.686 13.908 1.00 0.00 H new ATOM 402 N ILE A 28 57.702 8.820 7.113 1.00 0.00 N ATOM 403 CA ILE A 28 58.121 8.513 5.755 1.00 0.00 C ATOM 404 C ILE A 28 56.977 7.855 4.986 1.00 0.00 C ATOM 405 O ILE A 28 56.286 6.977 5.507 1.00 0.00 O ATOM 406 CB ILE A 28 59.352 7.579 5.747 1.00 0.00 C ATOM 407 CG1 ILE A 28 60.498 8.204 6.550 1.00 0.00 C ATOM 408 CG2 ILE A 28 59.800 7.288 4.318 1.00 0.00 C ATOM 409 CD1 ILE A 28 61.713 7.309 6.681 1.00 0.00 C ATOM 0 H ILE A 28 57.618 8.006 7.722 1.00 0.00 H new ATOM 0 HA ILE A 28 58.395 9.451 5.271 1.00 0.00 H new ATOM 0 HB ILE A 28 59.071 6.636 6.215 1.00 0.00 H new ATOM 0 HG12 ILE A 28 60.796 9.138 6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 28 60.135 8.456 7.546 1.00 0.00 H new ATOM 0 HG21 ILE A 28 60.668 6.629 4.336 1.00 0.00 H new ATOM 0 HG22 ILE A 28 58.989 6.805 3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 28 60.064 8.222 3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 28 62.481 7.820 7.262 1.00 0.00 H new ATOM 0 HD12 ILE A 28 61.431 6.385 7.186 1.00 0.00 H new ATOM 0 HD13 ILE A 28 62.102 7.077 5.690 1.00 0.00 H new ATOM 421 N GLU A 29 56.761 8.300 3.761 1.00 0.00 N ATOM 422 CA GLU A 29 55.727 7.728 2.915 1.00 0.00 C ATOM 423 C GLU A 29 56.221 6.439 2.274 1.00 0.00 C ATOM 424 O GLU A 29 57.402 6.306 1.959 1.00 0.00 O ATOM 425 CB GLU A 29 55.299 8.718 1.826 1.00 0.00 C ATOM 426 CG GLU A 29 54.304 9.773 2.294 1.00 0.00 C ATOM 427 CD GLU A 29 54.826 10.623 3.431 1.00 0.00 C ATOM 428 OE1 GLU A 29 55.610 11.562 3.169 1.00 0.00 O ATOM 429 OE2 GLU A 29 54.452 10.359 4.590 1.00 0.00 O ATOM 0 H GLU A 29 57.289 9.058 3.328 1.00 0.00 H new ATOM 0 HA GLU A 29 54.863 7.508 3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 29 56.186 9.219 1.438 1.00 0.00 H new ATOM 0 HB3 GLU A 29 54.859 8.162 0.998 1.00 0.00 H new ATOM 0 HG2 GLU A 29 54.048 10.419 1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 29 53.384 9.281 2.610 1.00 0.00 H new ATOM 436 N MET A 30 55.323 5.485 2.101 1.00 0.00 N ATOM 437 CA MET A 30 55.671 4.236 1.447 1.00 0.00 C ATOM 438 C MET A 30 54.901 4.111 0.142 1.00 0.00 C ATOM 439 O MET A 30 53.673 4.031 0.132 1.00 0.00 O ATOM 440 CB MET A 30 55.394 3.042 2.362 1.00 0.00 C ATOM 441 CG MET A 30 56.088 3.148 3.713 1.00 0.00 C ATOM 442 SD MET A 30 55.825 1.709 4.768 1.00 0.00 S ATOM 443 CE MET A 30 56.835 0.489 3.936 1.00 0.00 C ATOM 0 H MET A 30 54.351 5.551 2.403 1.00 0.00 H new ATOM 0 HA MET A 30 56.739 4.239 1.228 1.00 0.00 H new ATOM 0 HB2 MET A 30 54.319 2.954 2.519 1.00 0.00 H new ATOM 0 HB3 MET A 30 55.719 2.128 1.865 1.00 0.00 H new ATOM 0 HG2 MET A 30 57.158 3.282 3.554 1.00 0.00 H new ATOM 0 HG3 MET A 30 55.728 4.038 4.229 1.00 0.00 H new ATOM 0 HE1 MET A 30 56.207 -0.338 3.605 1.00 0.00 H new ATOM 0 HE2 MET A 30 57.319 0.945 3.073 1.00 0.00 H new ATOM 0 HE3 MET A 30 57.595 0.116 4.623 1.00 0.00 H new ATOM 453 N LYS A 31 55.634 4.125 -0.952 1.00 0.00 N ATOM 454 CA LYS A 31 55.047 4.114 -2.278 1.00 0.00 C ATOM 455 C LYS A 31 54.804 2.684 -2.741 1.00 0.00 C ATOM 456 O LYS A 31 55.744 1.902 -2.895 1.00 0.00 O ATOM 457 CB LYS A 31 55.978 4.850 -3.244 1.00 0.00 C ATOM 458 CG LYS A 31 55.429 5.031 -4.650 1.00 0.00 C ATOM 459 CD LYS A 31 56.359 5.901 -5.481 1.00 0.00 C ATOM 460 CE LYS A 31 55.823 6.134 -6.883 1.00 0.00 C ATOM 461 NZ LYS A 31 56.650 7.119 -7.628 1.00 0.00 N ATOM 0 H LYS A 31 56.654 4.144 -0.948 1.00 0.00 H new ATOM 0 HA LYS A 31 54.083 4.623 -2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 31 56.205 5.832 -2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 31 56.920 4.304 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 31 55.309 4.058 -5.127 1.00 0.00 H new ATOM 0 HG3 LYS A 31 54.440 5.487 -4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 31 56.499 6.860 -4.983 1.00 0.00 H new ATOM 0 HD3 LYS A 31 57.339 5.428 -5.542 1.00 0.00 H new ATOM 0 HE2 LYS A 31 55.803 5.190 -7.427 1.00 0.00 H new ATOM 0 HE3 LYS A 31 54.795 6.491 -6.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 56.255 7.254 -8.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 56.649 8.027 -7.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 57.625 6.766 -7.704 1.00 0.00 H new ATOM 475 N ALA A 32 53.537 2.346 -2.933 1.00 0.00 N ATOM 476 CA ALA A 32 53.150 1.015 -3.381 1.00 0.00 C ATOM 477 C ALA A 32 53.485 0.820 -4.852 1.00 0.00 C ATOM 478 O ALA A 32 52.797 1.343 -5.733 1.00 0.00 O ATOM 479 CB ALA A 32 51.665 0.792 -3.143 1.00 0.00 C ATOM 0 H ALA A 32 52.753 2.981 -2.784 1.00 0.00 H new ATOM 0 HA ALA A 32 53.713 0.282 -2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 32 51.388 -0.206 -3.482 1.00 0.00 H new ATOM 0 HB2 ALA A 32 51.449 0.887 -2.079 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.092 1.535 -3.697 1.00 0.00 H new ATOM 485 N LEU A 33 54.557 0.089 -5.112 1.00 0.00 N ATOM 486 CA LEU A 33 54.971 -0.195 -6.473 1.00 0.00 C ATOM 487 C LEU A 33 54.637 -1.628 -6.853 1.00 0.00 C ATOM 488 O LEU A 33 54.710 -2.538 -6.024 1.00 0.00 O ATOM 489 CB LEU A 33 56.474 0.039 -6.646 1.00 0.00 C ATOM 490 CG LEU A 33 56.945 1.478 -6.436 1.00 0.00 C ATOM 491 CD1 LEU A 33 58.440 1.586 -6.681 1.00 0.00 C ATOM 492 CD2 LEU A 33 56.195 2.426 -7.355 1.00 0.00 C ATOM 0 H LEU A 33 55.157 -0.319 -4.395 1.00 0.00 H new ATOM 0 HA LEU A 33 54.427 0.484 -7.130 1.00 0.00 H new ATOM 0 HB2 LEU A 33 57.007 -0.605 -5.946 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.760 -0.275 -7.650 1.00 0.00 H new ATOM 0 HG LEU A 33 56.737 1.759 -5.404 1.00 0.00 H new ATOM 0 HD11 LEU A 33 58.760 2.617 -6.528 1.00 0.00 H new ATOM 0 HD12 LEU A 33 58.970 0.934 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 33 58.664 1.285 -7.704 1.00 0.00 H new ATOM 0 HD21 LEU A 33 56.545 3.445 -7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 33 56.374 2.144 -8.393 1.00 0.00 H new ATOM 0 HD23 LEU A 33 55.127 2.370 -7.143 1.00 0.00 H new ATOM 504 N CYS A 34 54.257 -1.812 -8.106 1.00 0.00 N ATOM 505 CA CYS A 34 54.023 -3.137 -8.652 1.00 0.00 C ATOM 506 C CYS A 34 55.344 -3.729 -9.130 1.00 0.00 C ATOM 507 O CYS A 34 55.883 -3.284 -10.138 1.00 0.00 O ATOM 508 CB CYS A 34 53.027 -3.048 -9.809 1.00 0.00 C ATOM 509 SG CYS A 34 52.680 -4.624 -10.629 1.00 0.00 S ATOM 0 H CYS A 34 54.103 -1.052 -8.769 1.00 0.00 H new ATOM 0 HA CYS A 34 53.605 -3.784 -7.881 1.00 0.00 H new ATOM 0 HB2 CYS A 34 52.091 -2.635 -9.434 1.00 0.00 H new ATOM 0 HB3 CYS A 34 53.411 -2.346 -10.549 1.00 0.00 H new ATOM 0 HG CYS A 34 53.681 -4.944 -11.395 1.00 0.00 H new ATOM 514 N PRO A 35 55.872 -4.740 -8.419 1.00 0.00 N ATOM 515 CA PRO A 35 57.222 -5.284 -8.655 1.00 0.00 C ATOM 516 C PRO A 35 57.529 -5.584 -10.122 1.00 0.00 C ATOM 517 O PRO A 35 58.647 -5.357 -10.586 1.00 0.00 O ATOM 518 CB PRO A 35 57.221 -6.575 -7.841 1.00 0.00 C ATOM 519 CG PRO A 35 56.278 -6.298 -6.726 1.00 0.00 C ATOM 520 CD PRO A 35 55.190 -5.444 -7.315 1.00 0.00 C ATOM 0 HA PRO A 35 57.988 -4.563 -8.370 1.00 0.00 H new ATOM 0 HB2 PRO A 35 56.892 -7.424 -8.440 1.00 0.00 H new ATOM 0 HB3 PRO A 35 58.218 -6.814 -7.470 1.00 0.00 H new ATOM 0 HG2 PRO A 35 55.872 -7.223 -6.318 1.00 0.00 H new ATOM 0 HG3 PRO A 35 56.780 -5.782 -5.907 1.00 0.00 H new ATOM 0 HD2 PRO A 35 54.357 -6.047 -7.676 1.00 0.00 H new ATOM 0 HD3 PRO A 35 54.785 -4.746 -6.582 1.00 0.00 H new ATOM 528 N ASP A 36 56.532 -6.065 -10.857 1.00 0.00 N ATOM 529 CA ASP A 36 56.732 -6.472 -12.248 1.00 0.00 C ATOM 530 C ASP A 36 57.077 -5.287 -13.156 1.00 0.00 C ATOM 531 O ASP A 36 57.690 -5.464 -14.210 1.00 0.00 O ATOM 532 CB ASP A 36 55.503 -7.229 -12.792 1.00 0.00 C ATOM 533 CG ASP A 36 54.211 -6.424 -12.757 1.00 0.00 C ATOM 534 OD1 ASP A 36 54.248 -5.190 -12.897 1.00 0.00 O ATOM 535 OD2 ASP A 36 53.131 -7.012 -12.596 1.00 0.00 O ATOM 0 H ASP A 36 55.578 -6.183 -10.516 1.00 0.00 H new ATOM 0 HA ASP A 36 57.587 -7.149 -12.255 1.00 0.00 H new ATOM 0 HB2 ASP A 36 55.702 -7.532 -13.820 1.00 0.00 H new ATOM 0 HB3 ASP A 36 55.366 -8.142 -12.212 1.00 0.00 H new ATOM 540 N CYS A 37 56.705 -4.080 -12.746 1.00 0.00 N ATOM 541 CA CYS A 37 56.934 -2.897 -13.569 1.00 0.00 C ATOM 542 C CYS A 37 57.615 -1.776 -12.785 1.00 0.00 C ATOM 543 O CYS A 37 58.143 -0.835 -13.378 1.00 0.00 O ATOM 544 CB CYS A 37 55.606 -2.405 -14.171 1.00 0.00 C ATOM 545 SG CYS A 37 54.200 -2.398 -13.017 1.00 0.00 S ATOM 0 H CYS A 37 56.246 -3.894 -11.854 1.00 0.00 H new ATOM 0 HA CYS A 37 57.609 -3.182 -14.376 1.00 0.00 H new ATOM 0 HB2 CYS A 37 55.749 -1.394 -14.553 1.00 0.00 H new ATOM 0 HB3 CYS A 37 55.355 -3.035 -15.024 1.00 0.00 H new ATOM 0 HG CYS A 37 53.962 -3.611 -12.615 1.00 0.00 H new ATOM 550 N HIS A 38 57.609 -1.894 -11.457 1.00 0.00 N ATOM 551 CA HIS A 38 58.145 -0.862 -10.563 1.00 0.00 C ATOM 552 C HIS A 38 57.396 0.454 -10.744 1.00 0.00 C ATOM 553 O HIS A 38 57.922 1.530 -10.464 1.00 0.00 O ATOM 554 CB HIS A 38 59.652 -0.667 -10.776 1.00 0.00 C ATOM 555 CG HIS A 38 60.486 -1.707 -10.092 1.00 0.00 C ATOM 556 ND1 HIS A 38 60.991 -2.819 -10.733 1.00 0.00 N ATOM 557 CD2 HIS A 38 60.907 -1.792 -8.808 1.00 0.00 C ATOM 558 CE1 HIS A 38 61.685 -3.542 -9.871 1.00 0.00 C ATOM 559 NE2 HIS A 38 61.649 -2.940 -8.699 1.00 0.00 N ATOM 0 H HIS A 38 57.233 -2.707 -10.969 1.00 0.00 H new ATOM 0 HA HIS A 38 57.997 -1.201 -9.538 1.00 0.00 H new ATOM 0 HB2 HIS A 38 59.866 -0.684 -11.845 1.00 0.00 H new ATOM 0 HB3 HIS A 38 59.939 0.318 -10.409 1.00 0.00 H new ATOM 0 HD2 HIS A 38 60.697 -1.087 -8.017 1.00 0.00 H new ATOM 0 HE1 HIS A 38 62.195 -4.469 -10.090 1.00 0.00 H new ATOM 0 HE2 HIS A 38 62.101 -3.274 -7.848 1.00 0.00 H new ATOM 568 N GLN A 39 56.151 0.344 -11.188 1.00 0.00 N ATOM 569 CA GLN A 39 55.297 1.499 -11.386 1.00 0.00 C ATOM 570 C GLN A 39 54.210 1.501 -10.309 1.00 0.00 C ATOM 571 O GLN A 39 53.801 0.430 -9.849 1.00 0.00 O ATOM 572 CB GLN A 39 54.684 1.453 -12.793 1.00 0.00 C ATOM 573 CG GLN A 39 54.593 2.811 -13.471 1.00 0.00 C ATOM 574 CD GLN A 39 55.951 3.471 -13.636 1.00 0.00 C ATOM 575 OE1 GLN A 39 56.410 4.208 -12.762 1.00 0.00 O ATOM 576 NE2 GLN A 39 56.600 3.221 -14.762 1.00 0.00 N ATOM 0 H GLN A 39 55.710 -0.546 -11.419 1.00 0.00 H new ATOM 0 HA GLN A 39 55.877 2.418 -11.301 1.00 0.00 H new ATOM 0 HB2 GLN A 39 55.280 0.786 -13.416 1.00 0.00 H new ATOM 0 HB3 GLN A 39 53.685 1.022 -12.729 1.00 0.00 H new ATOM 0 HG2 GLN A 39 54.128 2.694 -14.450 1.00 0.00 H new ATOM 0 HG3 GLN A 39 53.944 3.463 -12.886 1.00 0.00 H new ATOM 0 HE21 GLN A 39 56.187 2.605 -15.463 1.00 0.00 H new ATOM 0 HE22 GLN A 39 57.513 3.644 -14.929 1.00 0.00 H new ATOM 585 N PRO A 40 53.756 2.692 -9.871 1.00 0.00 N ATOM 586 CA PRO A 40 52.765 2.829 -8.793 1.00 0.00 C ATOM 587 C PRO A 40 51.467 2.063 -9.055 1.00 0.00 C ATOM 588 O PRO A 40 50.981 1.995 -10.187 1.00 0.00 O ATOM 589 CB PRO A 40 52.487 4.339 -8.732 1.00 0.00 C ATOM 590 CG PRO A 40 53.030 4.891 -10.006 1.00 0.00 C ATOM 591 CD PRO A 40 54.179 4.004 -10.379 1.00 0.00 C ATOM 0 HA PRO A 40 53.148 2.410 -7.862 1.00 0.00 H new ATOM 0 HB2 PRO A 40 51.419 4.539 -8.640 1.00 0.00 H new ATOM 0 HB3 PRO A 40 52.972 4.794 -7.868 1.00 0.00 H new ATOM 0 HG2 PRO A 40 52.269 4.894 -10.786 1.00 0.00 H new ATOM 0 HG3 PRO A 40 53.358 5.922 -9.877 1.00 0.00 H new ATOM 0 HD2 PRO A 40 54.343 3.987 -11.456 1.00 0.00 H new ATOM 0 HD3 PRO A 40 55.111 4.334 -9.920 1.00 0.00 H new ATOM 599 N LEU A 41 50.927 1.485 -7.991 1.00 0.00 N ATOM 600 CA LEU A 41 49.667 0.759 -8.049 1.00 0.00 C ATOM 601 C LEU A 41 48.493 1.681 -7.745 1.00 0.00 C ATOM 602 O LEU A 41 48.639 2.666 -7.016 1.00 0.00 O ATOM 603 CB LEU A 41 49.686 -0.392 -7.042 1.00 0.00 C ATOM 604 CG LEU A 41 50.542 -1.594 -7.438 1.00 0.00 C ATOM 605 CD1 LEU A 41 50.780 -2.501 -6.241 1.00 0.00 C ATOM 606 CD2 LEU A 41 49.864 -2.366 -8.556 1.00 0.00 C ATOM 0 H LEU A 41 51.351 1.506 -7.063 1.00 0.00 H new ATOM 0 HA LEU A 41 49.546 0.364 -9.058 1.00 0.00 H new ATOM 0 HB2 LEU A 41 50.045 -0.010 -6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 41 48.662 -0.732 -6.885 1.00 0.00 H new ATOM 0 HG LEU A 41 51.508 -1.232 -7.790 1.00 0.00 H new ATOM 0 HD11 LEU A 41 51.392 -3.351 -6.544 1.00 0.00 H new ATOM 0 HD12 LEU A 41 51.296 -1.944 -5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 41 49.824 -2.860 -5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 41 50.480 -3.221 -8.833 1.00 0.00 H new ATOM 0 HD22 LEU A 41 48.889 -2.716 -8.217 1.00 0.00 H new ATOM 0 HD23 LEU A 41 49.736 -1.716 -9.421 1.00 0.00 H new ATOM 618 N GLN A 42 47.336 1.360 -8.307 1.00 0.00 N ATOM 619 CA GLN A 42 46.120 2.101 -8.025 1.00 0.00 C ATOM 620 C GLN A 42 45.420 1.504 -6.811 1.00 0.00 C ATOM 621 O GLN A 42 45.120 0.308 -6.781 1.00 0.00 O ATOM 622 CB GLN A 42 45.183 2.090 -9.240 1.00 0.00 C ATOM 623 CG GLN A 42 43.797 2.664 -8.969 1.00 0.00 C ATOM 624 CD GLN A 42 43.806 4.137 -8.597 1.00 0.00 C ATOM 625 OE1 GLN A 42 44.765 4.646 -8.018 1.00 0.00 O ATOM 626 NE2 GLN A 42 42.730 4.832 -8.926 1.00 0.00 N ATOM 0 H GLN A 42 47.216 0.588 -8.963 1.00 0.00 H new ATOM 0 HA GLN A 42 46.385 3.136 -7.810 1.00 0.00 H new ATOM 0 HB2 GLN A 42 45.647 2.657 -10.047 1.00 0.00 H new ATOM 0 HB3 GLN A 42 45.076 1.064 -9.592 1.00 0.00 H new ATOM 0 HG2 GLN A 42 43.177 2.526 -9.855 1.00 0.00 H new ATOM 0 HG3 GLN A 42 43.331 2.098 -8.163 1.00 0.00 H new ATOM 0 HE21 GLN A 42 41.955 4.375 -9.406 1.00 0.00 H new ATOM 0 HE22 GLN A 42 42.676 5.825 -8.700 1.00 0.00 H new ATOM 635 N VAL A 43 45.179 2.339 -5.812 1.00 0.00 N ATOM 636 CA VAL A 43 44.548 1.893 -4.584 1.00 0.00 C ATOM 637 C VAL A 43 43.032 1.869 -4.736 1.00 0.00 C ATOM 638 O VAL A 43 42.376 2.913 -4.736 1.00 0.00 O ATOM 639 CB VAL A 43 44.930 2.798 -3.392 1.00 0.00 C ATOM 640 CG1 VAL A 43 44.331 2.273 -2.094 1.00 0.00 C ATOM 641 CG2 VAL A 43 46.443 2.914 -3.272 1.00 0.00 C ATOM 0 H VAL A 43 45.412 3.332 -5.830 1.00 0.00 H new ATOM 0 HA VAL A 43 44.908 0.884 -4.383 1.00 0.00 H new ATOM 0 HB VAL A 43 44.520 3.791 -3.577 1.00 0.00 H new ATOM 0 HG11 VAL A 43 44.615 2.928 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 43 43.245 2.247 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 43 44.704 1.267 -1.902 1.00 0.00 H new ATOM 0 HG21 VAL A 43 46.693 3.555 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 43 46.873 1.924 -3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 43 46.849 3.345 -4.187 1.00 0.00 H new ATOM 651 N LEU A 44 42.485 0.676 -4.891 1.00 0.00 N ATOM 652 CA LEU A 44 41.048 0.509 -4.995 1.00 0.00 C ATOM 653 C LEU A 44 40.443 0.327 -3.614 1.00 0.00 C ATOM 654 O LEU A 44 40.360 -0.793 -3.110 1.00 0.00 O ATOM 655 CB LEU A 44 40.692 -0.699 -5.870 1.00 0.00 C ATOM 656 CG LEU A 44 41.235 -0.667 -7.297 1.00 0.00 C ATOM 657 CD1 LEU A 44 40.779 -1.899 -8.061 1.00 0.00 C ATOM 658 CD2 LEU A 44 40.788 0.600 -8.006 1.00 0.00 C ATOM 0 H LEU A 44 43.017 -0.193 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 44 40.640 1.407 -5.460 1.00 0.00 H new ATOM 0 HB2 LEU A 44 41.061 -1.600 -5.381 1.00 0.00 H new ATOM 0 HB3 LEU A 44 39.606 -0.784 -5.916 1.00 0.00 H new ATOM 0 HG LEU A 44 42.324 -0.670 -7.257 1.00 0.00 H new ATOM 0 HD11 LEU A 44 41.173 -1.864 -9.077 1.00 0.00 H new ATOM 0 HD12 LEU A 44 41.147 -2.795 -7.560 1.00 0.00 H new ATOM 0 HD13 LEU A 44 39.690 -1.924 -8.095 1.00 0.00 H new ATOM 0 HD21 LEU A 44 41.183 0.607 -9.022 1.00 0.00 H new ATOM 0 HD22 LEU A 44 39.699 0.633 -8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 44 41.160 1.470 -7.465 1.00 0.00 H new ATOM 670 N LYS A 45 40.062 1.427 -2.984 1.00 0.00 N ATOM 671 CA LYS A 45 39.389 1.357 -1.701 1.00 0.00 C ATOM 672 C LYS A 45 37.924 1.009 -1.929 1.00 0.00 C ATOM 673 O LYS A 45 37.075 1.886 -2.099 1.00 0.00 O ATOM 674 CB LYS A 45 39.529 2.674 -0.933 1.00 0.00 C ATOM 675 CG LYS A 45 38.909 2.639 0.457 1.00 0.00 C ATOM 676 CD LYS A 45 39.092 3.958 1.192 1.00 0.00 C ATOM 677 CE LYS A 45 38.562 5.128 0.380 1.00 0.00 C ATOM 678 NZ LYS A 45 38.622 6.403 1.137 1.00 0.00 N ATOM 0 H LYS A 45 40.207 2.372 -3.339 1.00 0.00 H new ATOM 0 HA LYS A 45 39.853 0.581 -1.093 1.00 0.00 H new ATOM 0 HB2 LYS A 45 40.587 2.922 -0.844 1.00 0.00 H new ATOM 0 HB3 LYS A 45 39.062 3.472 -1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 45 37.846 2.413 0.375 1.00 0.00 H new ATOM 0 HG3 LYS A 45 39.362 1.834 1.036 1.00 0.00 H new ATOM 0 HD2 LYS A 45 38.575 3.916 2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 45 40.150 4.112 1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 45 39.141 5.224 -0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 45 37.531 4.929 0.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 38.251 7.175 0.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 38.048 6.321 2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 39.609 6.608 1.395 1.00 0.00 H new ATOM 692 N ALA A 46 37.646 -0.282 -1.963 1.00 0.00 N ATOM 693 CA ALA A 46 36.333 -0.778 -2.320 1.00 0.00 C ATOM 694 C ALA A 46 35.433 -0.898 -1.097 1.00 0.00 C ATOM 695 O ALA A 46 35.229 -1.992 -0.567 1.00 0.00 O ATOM 696 CB ALA A 46 36.457 -2.114 -3.033 1.00 0.00 C ATOM 0 H ALA A 46 38.323 -1.013 -1.744 1.00 0.00 H new ATOM 0 HA ALA A 46 35.870 -0.060 -2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 46 35.464 -2.479 -3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 46 37.051 -1.989 -3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 46 36.945 -2.834 -2.375 1.00 0.00 H new ATOM 702 N CYS A 47 34.964 0.250 -0.618 1.00 0.00 N ATOM 703 CA CYS A 47 33.936 0.318 0.422 1.00 0.00 C ATOM 704 C CYS A 47 34.384 -0.340 1.732 1.00 0.00 C ATOM 705 O CYS A 47 33.561 -0.647 2.593 1.00 0.00 O ATOM 706 CB CYS A 47 32.652 -0.340 -0.085 1.00 0.00 C ATOM 707 SG CYS A 47 32.094 0.279 -1.692 1.00 0.00 S ATOM 0 H CYS A 47 35.285 1.163 -0.939 1.00 0.00 H new ATOM 0 HA CYS A 47 33.756 1.371 0.640 1.00 0.00 H new ATOM 0 HB2 CYS A 47 32.811 -1.416 -0.157 1.00 0.00 H new ATOM 0 HB3 CYS A 47 31.861 -0.183 0.648 1.00 0.00 H new ATOM 0 HG CYS A 47 31.003 -0.337 -2.040 1.00 0.00 H new ATOM 713 N GLY A 48 35.683 -0.536 1.890 1.00 0.00 N ATOM 714 CA GLY A 48 36.195 -1.173 3.088 1.00 0.00 C ATOM 715 C GLY A 48 37.350 -2.095 2.779 1.00 0.00 C ATOM 716 O GLY A 48 38.249 -2.276 3.598 1.00 0.00 O ATOM 0 H GLY A 48 36.394 -0.266 1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 48 36.518 -0.410 3.796 1.00 0.00 H new ATOM 0 HA3 GLY A 48 35.397 -1.738 3.569 1.00 0.00 H new ATOM 720 N ALA A 49 37.320 -2.683 1.593 1.00 0.00 N ATOM 721 CA ALA A 49 38.418 -3.516 1.128 1.00 0.00 C ATOM 722 C ALA A 49 39.385 -2.673 0.312 1.00 0.00 C ATOM 723 O ALA A 49 39.044 -1.568 -0.105 1.00 0.00 O ATOM 724 CB ALA A 49 37.888 -4.678 0.302 1.00 0.00 C ATOM 0 H ALA A 49 36.546 -2.598 0.934 1.00 0.00 H new ATOM 0 HA ALA A 49 38.947 -3.927 1.988 1.00 0.00 H new ATOM 0 HB1 ALA A 49 38.722 -5.292 -0.039 1.00 0.00 H new ATOM 0 HB2 ALA A 49 37.218 -5.283 0.913 1.00 0.00 H new ATOM 0 HB3 ALA A 49 37.344 -4.293 -0.561 1.00 0.00 H new ATOM 730 N VAL A 50 40.589 -3.175 0.094 1.00 0.00 N ATOM 731 CA VAL A 50 41.576 -2.446 -0.689 1.00 0.00 C ATOM 732 C VAL A 50 42.240 -3.369 -1.701 1.00 0.00 C ATOM 733 O VAL A 50 42.965 -4.290 -1.328 1.00 0.00 O ATOM 734 CB VAL A 50 42.665 -1.801 0.202 1.00 0.00 C ATOM 735 CG1 VAL A 50 43.719 -1.106 -0.648 1.00 0.00 C ATOM 736 CG2 VAL A 50 42.049 -0.815 1.185 1.00 0.00 C ATOM 0 H VAL A 50 40.906 -4.079 0.445 1.00 0.00 H new ATOM 0 HA VAL A 50 41.043 -1.649 -1.207 1.00 0.00 H new ATOM 0 HB VAL A 50 43.147 -2.598 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 50 44.473 -0.660 0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 50 44.192 -1.833 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 50 43.248 -0.326 -1.246 1.00 0.00 H new ATOM 0 HG21 VAL A 50 42.834 -0.375 1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 50 41.534 -0.027 0.635 1.00 0.00 H new ATOM 0 HG23 VAL A 50 41.337 -1.336 1.825 1.00 0.00 H new ATOM 746 N ASP A 51 41.975 -3.127 -2.977 1.00 0.00 N ATOM 747 CA ASP A 51 42.602 -3.893 -4.043 1.00 0.00 C ATOM 748 C ASP A 51 43.693 -3.059 -4.695 1.00 0.00 C ATOM 749 O ASP A 51 43.530 -1.857 -4.891 1.00 0.00 O ATOM 750 CB ASP A 51 41.581 -4.312 -5.108 1.00 0.00 C ATOM 751 CG ASP A 51 40.478 -5.205 -4.573 1.00 0.00 C ATOM 752 OD1 ASP A 51 40.768 -6.351 -4.170 1.00 0.00 O ATOM 753 OD2 ASP A 51 39.305 -4.774 -4.582 1.00 0.00 O ATOM 0 H ASP A 51 41.330 -2.406 -3.299 1.00 0.00 H new ATOM 0 HA ASP A 51 43.028 -4.795 -3.604 1.00 0.00 H new ATOM 0 HB2 ASP A 51 41.134 -3.418 -5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 51 42.100 -4.833 -5.913 1.00 0.00 H new ATOM 758 N TYR A 52 44.811 -3.684 -5.011 1.00 0.00 N ATOM 759 CA TYR A 52 45.887 -2.989 -5.699 1.00 0.00 C ATOM 760 C TYR A 52 45.844 -3.311 -7.181 1.00 0.00 C ATOM 761 O TYR A 52 46.218 -4.402 -7.606 1.00 0.00 O ATOM 762 CB TYR A 52 47.247 -3.358 -5.104 1.00 0.00 C ATOM 763 CG TYR A 52 47.465 -2.799 -3.717 1.00 0.00 C ATOM 764 CD1 TYR A 52 47.061 -3.500 -2.590 1.00 0.00 C ATOM 765 CD2 TYR A 52 48.068 -1.561 -3.540 1.00 0.00 C ATOM 766 CE1 TYR A 52 47.258 -2.986 -1.323 1.00 0.00 C ATOM 767 CE2 TYR A 52 48.269 -1.042 -2.277 1.00 0.00 C ATOM 768 CZ TYR A 52 47.860 -1.756 -1.172 1.00 0.00 C ATOM 769 OH TYR A 52 48.061 -1.245 0.089 1.00 0.00 O ATOM 0 H TYR A 52 44.999 -4.665 -4.805 1.00 0.00 H new ATOM 0 HA TYR A 52 45.748 -1.916 -5.567 1.00 0.00 H new ATOM 0 HB2 TYR A 52 47.338 -4.444 -5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 52 48.035 -2.993 -5.763 1.00 0.00 H new ATOM 0 HD1 TYR A 52 46.585 -4.463 -2.705 1.00 0.00 H new ATOM 0 HD2 TYR A 52 48.385 -0.995 -4.404 1.00 0.00 H new ATOM 0 HE1 TYR A 52 46.942 -3.546 -0.455 1.00 0.00 H new ATOM 0 HE2 TYR A 52 48.745 -0.080 -2.155 1.00 0.00 H new ATOM 0 HH TYR A 52 48.498 -0.370 0.022 1.00 0.00 H new ATOM 779 N PHE A 53 45.368 -2.363 -7.961 1.00 0.00 N ATOM 780 CA PHE A 53 45.177 -2.577 -9.384 1.00 0.00 C ATOM 781 C PHE A 53 46.314 -1.944 -10.171 1.00 0.00 C ATOM 782 O PHE A 53 46.585 -0.750 -10.043 1.00 0.00 O ATOM 783 CB PHE A 53 43.833 -1.988 -9.816 1.00 0.00 C ATOM 784 CG PHE A 53 43.474 -2.259 -11.249 1.00 0.00 C ATOM 785 CD1 PHE A 53 43.283 -3.553 -11.698 1.00 0.00 C ATOM 786 CD2 PHE A 53 43.319 -1.214 -12.145 1.00 0.00 C ATOM 787 CE1 PHE A 53 42.946 -3.802 -13.010 1.00 0.00 C ATOM 788 CE2 PHE A 53 42.979 -1.456 -13.459 1.00 0.00 C ATOM 789 CZ PHE A 53 42.793 -2.753 -13.894 1.00 0.00 C ATOM 0 H PHE A 53 45.105 -1.433 -7.634 1.00 0.00 H new ATOM 0 HA PHE A 53 45.176 -3.648 -9.588 1.00 0.00 H new ATOM 0 HB2 PHE A 53 43.049 -2.391 -9.174 1.00 0.00 H new ATOM 0 HB3 PHE A 53 43.853 -0.910 -9.656 1.00 0.00 H new ATOM 0 HD1 PHE A 53 43.400 -4.378 -11.011 1.00 0.00 H new ATOM 0 HD2 PHE A 53 43.466 -0.198 -11.810 1.00 0.00 H new ATOM 0 HE1 PHE A 53 42.801 -4.818 -13.347 1.00 0.00 H new ATOM 0 HE2 PHE A 53 42.858 -0.632 -14.147 1.00 0.00 H new ATOM 0 HZ PHE A 53 42.529 -2.946 -14.923 1.00 0.00 H new ATOM 799 N CYS A 54 46.992 -2.749 -10.975 1.00 0.00 N ATOM 800 CA CYS A 54 48.086 -2.248 -11.789 1.00 0.00 C ATOM 801 C CYS A 54 47.559 -1.775 -13.133 1.00 0.00 C ATOM 802 O CYS A 54 47.447 -2.566 -14.075 1.00 0.00 O ATOM 803 CB CYS A 54 49.152 -3.334 -11.985 1.00 0.00 C ATOM 804 SG CYS A 54 50.628 -2.793 -12.896 1.00 0.00 S ATOM 0 H CYS A 54 46.805 -3.746 -11.080 1.00 0.00 H new ATOM 0 HA CYS A 54 48.547 -1.405 -11.275 1.00 0.00 H new ATOM 0 HB2 CYS A 54 49.460 -3.702 -11.006 1.00 0.00 H new ATOM 0 HB3 CYS A 54 48.702 -4.174 -12.515 1.00 0.00 H new ATOM 0 HG CYS A 54 51.695 -3.202 -12.276 1.00 0.00 H new ATOM 809 N GLN A 55 47.187 -0.497 -13.199 1.00 0.00 N ATOM 810 CA GLN A 55 46.739 0.104 -14.448 1.00 0.00 C ATOM 811 C GLN A 55 47.882 0.135 -15.442 1.00 0.00 C ATOM 812 O GLN A 55 48.684 1.064 -15.442 1.00 0.00 O ATOM 813 CB GLN A 55 46.204 1.517 -14.223 1.00 0.00 C ATOM 814 CG GLN A 55 44.831 1.553 -13.581 1.00 0.00 C ATOM 815 CD GLN A 55 44.316 2.965 -13.375 1.00 0.00 C ATOM 816 OE1 GLN A 55 44.665 3.882 -14.117 1.00 0.00 O ATOM 817 NE2 GLN A 55 43.462 3.148 -12.383 1.00 0.00 N ATOM 0 H GLN A 55 47.188 0.139 -12.401 1.00 0.00 H new ATOM 0 HA GLN A 55 45.927 -0.504 -14.846 1.00 0.00 H new ATOM 0 HB2 GLN A 55 46.905 2.065 -13.593 1.00 0.00 H new ATOM 0 HB3 GLN A 55 46.162 2.037 -15.180 1.00 0.00 H new ATOM 0 HG2 GLN A 55 44.128 1.002 -14.206 1.00 0.00 H new ATOM 0 HG3 GLN A 55 44.871 1.042 -12.619 1.00 0.00 H new ATOM 0 HE21 GLN A 55 43.196 2.363 -11.788 1.00 0.00 H new ATOM 0 HE22 GLN A 55 43.069 4.074 -12.212 1.00 0.00 H new ATOM 826 N HIS A 56 47.923 -0.894 -16.276 1.00 0.00 N ATOM 827 CA HIS A 56 49.004 -1.146 -17.234 1.00 0.00 C ATOM 828 C HIS A 56 48.754 -2.483 -17.914 1.00 0.00 C ATOM 829 O HIS A 56 49.258 -2.746 -19.007 1.00 0.00 O ATOM 830 CB HIS A 56 50.397 -1.192 -16.571 1.00 0.00 C ATOM 831 CG HIS A 56 51.075 0.142 -16.436 1.00 0.00 C ATOM 832 ND1 HIS A 56 50.977 1.137 -17.381 1.00 0.00 N ATOM 833 CD2 HIS A 56 51.835 0.650 -15.438 1.00 0.00 C ATOM 834 CE1 HIS A 56 51.648 2.196 -16.973 1.00 0.00 C ATOM 835 NE2 HIS A 56 52.179 1.931 -15.793 1.00 0.00 N ATOM 0 H HIS A 56 47.187 -1.600 -16.310 1.00 0.00 H new ATOM 0 HA HIS A 56 49.003 -0.321 -17.946 1.00 0.00 H new ATOM 0 HB2 HIS A 56 50.298 -1.635 -15.580 1.00 0.00 H new ATOM 0 HB3 HIS A 56 51.039 -1.853 -17.153 1.00 0.00 H new ATOM 0 HD1 HIS A 56 50.465 1.066 -18.260 1.00 0.00 H new ATOM 0 HD2 HIS A 56 52.119 0.141 -14.529 1.00 0.00 H new ATOM 0 HE1 HIS A 56 51.747 3.126 -17.514 1.00 0.00 H new ATOM 844 N GLY A 57 47.979 -3.328 -17.248 1.00 0.00 N ATOM 845 CA GLY A 57 47.673 -4.638 -17.778 1.00 0.00 C ATOM 846 C GLY A 57 48.386 -5.744 -17.030 1.00 0.00 C ATOM 847 O GLY A 57 49.036 -6.588 -17.636 1.00 0.00 O ATOM 0 H GLY A 57 47.555 -3.125 -16.343 1.00 0.00 H new ATOM 0 HA2 GLY A 57 46.597 -4.805 -17.729 1.00 0.00 H new ATOM 0 HA3 GLY A 57 47.953 -4.676 -18.831 1.00 0.00 H new ATOM 851 N HIS A 58 48.286 -5.730 -15.704 1.00 0.00 N ATOM 852 CA HIS A 58 48.878 -6.791 -14.889 1.00 0.00 C ATOM 853 C HIS A 58 47.838 -7.390 -13.950 1.00 0.00 C ATOM 854 O HIS A 58 48.071 -8.432 -13.337 1.00 0.00 O ATOM 855 CB HIS A 58 50.082 -6.279 -14.084 1.00 0.00 C ATOM 856 CG HIS A 58 51.266 -5.902 -14.927 1.00 0.00 C ATOM 857 ND1 HIS A 58 52.138 -4.873 -14.598 1.00 0.00 N ATOM 858 CD2 HIS A 58 51.719 -6.415 -16.100 1.00 0.00 C ATOM 859 CE1 HIS A 58 53.067 -4.777 -15.550 1.00 0.00 C ATOM 860 NE2 HIS A 58 52.832 -5.697 -16.459 1.00 0.00 N ATOM 0 H HIS A 58 47.806 -5.004 -15.173 1.00 0.00 H new ATOM 0 HA HIS A 58 49.232 -7.566 -15.569 1.00 0.00 H new ATOM 0 HB2 HIS A 58 49.773 -5.411 -13.501 1.00 0.00 H new ATOM 0 HB3 HIS A 58 50.385 -7.049 -13.374 1.00 0.00 H new ATOM 0 HD1 HIS A 58 52.078 -4.287 -13.765 1.00 0.00 H new ATOM 0 HD2 HIS A 58 51.284 -7.237 -16.649 1.00 0.00 H new ATOM 0 HE1 HIS A 58 53.877 -4.063 -15.571 1.00 0.00 H new ATOM 868 N GLY A 59 46.688 -6.736 -13.852 1.00 0.00 N ATOM 869 CA GLY A 59 45.617 -7.238 -13.015 1.00 0.00 C ATOM 870 C GLY A 59 45.699 -6.733 -11.591 1.00 0.00 C ATOM 871 O GLY A 59 46.198 -5.629 -11.340 1.00 0.00 O ATOM 0 H GLY A 59 46.478 -5.865 -14.339 1.00 0.00 H new ATOM 0 HA2 GLY A 59 44.659 -6.945 -13.445 1.00 0.00 H new ATOM 0 HA3 GLY A 59 45.645 -8.328 -13.011 1.00 0.00 H new ATOM 875 N LEU A 60 45.214 -7.547 -10.662 1.00 0.00 N ATOM 876 CA LEU A 60 45.191 -7.188 -9.253 1.00 0.00 C ATOM 877 C LEU A 60 46.395 -7.768 -8.530 1.00 0.00 C ATOM 878 O LEU A 60 46.670 -8.969 -8.607 1.00 0.00 O ATOM 879 CB LEU A 60 43.902 -7.683 -8.587 1.00 0.00 C ATOM 880 CG LEU A 60 42.614 -7.017 -9.077 1.00 0.00 C ATOM 881 CD1 LEU A 60 41.401 -7.670 -8.434 1.00 0.00 C ATOM 882 CD2 LEU A 60 42.633 -5.527 -8.773 1.00 0.00 C ATOM 0 H LEU A 60 44.828 -8.469 -10.864 1.00 0.00 H new ATOM 0 HA LEU A 60 45.228 -6.101 -9.186 1.00 0.00 H new ATOM 0 HB2 LEU A 60 43.819 -8.758 -8.748 1.00 0.00 H new ATOM 0 HB3 LEU A 60 43.985 -7.527 -7.511 1.00 0.00 H new ATOM 0 HG LEU A 60 42.550 -7.149 -10.157 1.00 0.00 H new ATOM 0 HD11 LEU A 60 40.493 -7.185 -8.793 1.00 0.00 H new ATOM 0 HD12 LEU A 60 41.375 -8.728 -8.697 1.00 0.00 H new ATOM 0 HD13 LEU A 60 41.464 -7.567 -7.351 1.00 0.00 H new ATOM 0 HD21 LEU A 60 41.709 -5.071 -9.129 1.00 0.00 H new ATOM 0 HD22 LEU A 60 42.721 -5.376 -7.697 1.00 0.00 H new ATOM 0 HD23 LEU A 60 43.483 -5.064 -9.275 1.00 0.00 H new ATOM 894 N ILE A 61 47.106 -6.911 -7.825 1.00 0.00 N ATOM 895 CA ILE A 61 48.274 -7.319 -7.069 1.00 0.00 C ATOM 896 C ILE A 61 47.910 -7.492 -5.601 1.00 0.00 C ATOM 897 O ILE A 61 47.448 -6.555 -4.949 1.00 0.00 O ATOM 898 CB ILE A 61 49.423 -6.294 -7.205 1.00 0.00 C ATOM 899 CG1 ILE A 61 49.807 -6.116 -8.679 1.00 0.00 C ATOM 900 CG2 ILE A 61 50.633 -6.723 -6.385 1.00 0.00 C ATOM 901 CD1 ILE A 61 50.273 -7.391 -9.355 1.00 0.00 C ATOM 0 H ILE A 61 46.892 -5.916 -7.760 1.00 0.00 H new ATOM 0 HA ILE A 61 48.619 -8.270 -7.475 1.00 0.00 H new ATOM 0 HB ILE A 61 49.075 -5.336 -6.818 1.00 0.00 H new ATOM 0 HG12 ILE A 61 48.948 -5.722 -9.222 1.00 0.00 H new ATOM 0 HG13 ILE A 61 50.598 -5.370 -8.750 1.00 0.00 H new ATOM 0 HG21 ILE A 61 51.428 -5.986 -6.497 1.00 0.00 H new ATOM 0 HG22 ILE A 61 50.353 -6.798 -5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 61 50.985 -7.693 -6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 61 50.526 -7.180 -10.394 1.00 0.00 H new ATOM 0 HD12 ILE A 61 51.152 -7.776 -8.839 1.00 0.00 H new ATOM 0 HD13 ILE A 61 49.476 -8.134 -9.319 1.00 0.00 H new ATOM 913 N SER A 62 48.096 -8.700 -5.096 1.00 0.00 N ATOM 914 CA SER A 62 47.805 -9.006 -3.707 1.00 0.00 C ATOM 915 C SER A 62 48.736 -8.229 -2.778 1.00 0.00 C ATOM 916 O SER A 62 49.860 -7.897 -3.158 1.00 0.00 O ATOM 917 CB SER A 62 47.946 -10.509 -3.482 1.00 0.00 C ATOM 918 OG SER A 62 47.118 -11.224 -4.384 1.00 0.00 O ATOM 0 H SER A 62 48.451 -9.491 -5.634 1.00 0.00 H new ATOM 0 HA SER A 62 46.782 -8.705 -3.479 1.00 0.00 H new ATOM 0 HB2 SER A 62 48.985 -10.808 -3.618 1.00 0.00 H new ATOM 0 HB3 SER A 62 47.675 -10.756 -2.456 1.00 0.00 H new ATOM 0 HG SER A 62 47.220 -12.186 -4.229 1.00 0.00 H new ATOM 924 N LYS A 63 48.268 -7.949 -1.564 1.00 0.00 N ATOM 925 CA LYS A 63 49.022 -7.136 -0.610 1.00 0.00 C ATOM 926 C LYS A 63 50.385 -7.749 -0.285 1.00 0.00 C ATOM 927 O LYS A 63 51.334 -7.035 0.038 1.00 0.00 O ATOM 928 CB LYS A 63 48.223 -6.935 0.679 1.00 0.00 C ATOM 929 CG LYS A 63 46.920 -6.177 0.480 1.00 0.00 C ATOM 930 CD LYS A 63 46.329 -5.721 1.807 1.00 0.00 C ATOM 931 CE LYS A 63 45.889 -6.892 2.675 1.00 0.00 C ATOM 932 NZ LYS A 63 45.485 -6.445 4.034 1.00 0.00 N ATOM 0 H LYS A 63 47.366 -8.274 -1.216 1.00 0.00 H new ATOM 0 HA LYS A 63 49.194 -6.169 -1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 63 48.003 -7.909 1.115 1.00 0.00 H new ATOM 0 HB3 LYS A 63 48.840 -6.396 1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 63 47.096 -5.311 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 63 46.203 -6.814 -0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 63 47.068 -5.128 2.347 1.00 0.00 H new ATOM 0 HD3 LYS A 63 45.475 -5.071 1.618 1.00 0.00 H new ATOM 0 HE2 LYS A 63 45.055 -7.406 2.198 1.00 0.00 H new ATOM 0 HE3 LYS A 63 46.703 -7.612 2.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 45.192 -7.268 4.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 46.289 -5.976 4.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 44.692 -5.777 3.958 1.00 0.00 H new ATOM 946 N LYS A 64 50.486 -9.071 -0.376 1.00 0.00 N ATOM 947 CA LYS A 64 51.750 -9.759 -0.108 1.00 0.00 C ATOM 948 C LYS A 64 52.704 -9.668 -1.300 1.00 0.00 C ATOM 949 O LYS A 64 53.815 -10.194 -1.255 1.00 0.00 O ATOM 950 CB LYS A 64 51.503 -11.228 0.240 1.00 0.00 C ATOM 951 CG LYS A 64 50.787 -11.438 1.566 1.00 0.00 C ATOM 952 CD LYS A 64 50.655 -12.915 1.894 1.00 0.00 C ATOM 953 CE LYS A 64 49.775 -13.632 0.883 1.00 0.00 C ATOM 954 NZ LYS A 64 49.751 -15.101 1.106 1.00 0.00 N ATOM 0 H LYS A 64 49.714 -9.687 -0.632 1.00 0.00 H new ATOM 0 HA LYS A 64 52.214 -9.260 0.743 1.00 0.00 H new ATOM 0 HB2 LYS A 64 50.914 -11.685 -0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 64 52.460 -11.750 0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 64 51.336 -10.934 2.362 1.00 0.00 H new ATOM 0 HG3 LYS A 64 49.797 -10.983 1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 64 51.643 -13.375 1.910 1.00 0.00 H new ATOM 0 HD3 LYS A 64 50.233 -13.031 2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 64 48.760 -13.240 0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 64 50.137 -13.424 -0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 49.139 -15.550 0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 50.716 -15.481 1.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 49.381 -15.302 2.057 1.00 0.00 H new ATOM 968 N ARG A 65 52.269 -9.012 -2.367 1.00 0.00 N ATOM 969 CA ARG A 65 53.101 -8.848 -3.553 1.00 0.00 C ATOM 970 C ARG A 65 53.329 -7.379 -3.878 1.00 0.00 C ATOM 971 O ARG A 65 53.810 -7.049 -4.957 1.00 0.00 O ATOM 972 CB ARG A 65 52.476 -9.542 -4.765 1.00 0.00 C ATOM 973 CG ARG A 65 52.549 -11.057 -4.716 1.00 0.00 C ATOM 974 CD ARG A 65 52.185 -11.668 -6.058 1.00 0.00 C ATOM 975 NE ARG A 65 52.370 -13.117 -6.067 1.00 0.00 N ATOM 976 CZ ARG A 65 53.403 -13.734 -6.638 1.00 0.00 C ATOM 977 NH1 ARG A 65 54.340 -13.033 -7.266 1.00 0.00 N ATOM 978 NH2 ARG A 65 53.496 -15.055 -6.589 1.00 0.00 N ATOM 0 H ARG A 65 51.345 -8.585 -2.437 1.00 0.00 H new ATOM 0 HA ARG A 65 54.062 -9.311 -3.330 1.00 0.00 H new ATOM 0 HB2 ARG A 65 51.431 -9.241 -4.844 1.00 0.00 H new ATOM 0 HB3 ARG A 65 52.977 -9.194 -5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 65 53.555 -11.366 -4.434 1.00 0.00 H new ATOM 0 HG3 ARG A 65 51.873 -11.432 -3.947 1.00 0.00 H new ATOM 0 HD2 ARG A 65 51.147 -11.433 -6.294 1.00 0.00 H new ATOM 0 HD3 ARG A 65 52.798 -11.219 -6.839 1.00 0.00 H new ATOM 0 HE ARG A 65 51.664 -13.692 -5.607 1.00 0.00 H new ATOM 0 HH11 ARG A 65 54.271 -12.016 -7.313 1.00 0.00 H new ATOM 0 HH12 ARG A 65 55.129 -13.511 -7.701 1.00 0.00 H new ATOM 0 HH21 ARG A 65 52.776 -15.600 -6.114 1.00 0.00 H new ATOM 0 HH22 ARG A 65 54.287 -15.527 -7.026 1.00 0.00 H new ATOM 992 N VAL A 66 52.988 -6.499 -2.951 1.00 0.00 N ATOM 993 CA VAL A 66 53.189 -5.073 -3.160 1.00 0.00 C ATOM 994 C VAL A 66 54.539 -4.641 -2.602 1.00 0.00 C ATOM 995 O VAL A 66 54.846 -4.895 -1.436 1.00 0.00 O ATOM 996 CB VAL A 66 52.075 -4.232 -2.502 1.00 0.00 C ATOM 997 CG1 VAL A 66 52.299 -2.752 -2.762 1.00 0.00 C ATOM 998 CG2 VAL A 66 50.709 -4.657 -3.009 1.00 0.00 C ATOM 0 H VAL A 66 52.573 -6.744 -2.052 1.00 0.00 H new ATOM 0 HA VAL A 66 53.159 -4.899 -4.236 1.00 0.00 H new ATOM 0 HB VAL A 66 52.110 -4.404 -1.426 1.00 0.00 H new ATOM 0 HG11 VAL A 66 51.503 -2.175 -2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 66 53.261 -2.451 -2.347 1.00 0.00 H new ATOM 0 HG13 VAL A 66 52.294 -2.566 -3.836 1.00 0.00 H new ATOM 0 HG21 VAL A 66 49.939 -4.051 -2.532 1.00 0.00 H new ATOM 0 HG22 VAL A 66 50.662 -4.518 -4.089 1.00 0.00 H new ATOM 0 HG23 VAL A 66 50.543 -5.708 -2.771 1.00 0.00 H new ATOM 1008 N GLU A 67 55.344 -3.997 -3.434 1.00 0.00 N ATOM 1009 CA GLU A 67 56.644 -3.518 -3.003 1.00 0.00 C ATOM 1010 C GLU A 67 56.531 -2.070 -2.543 1.00 0.00 C ATOM 1011 O GLU A 67 56.409 -1.154 -3.355 1.00 0.00 O ATOM 1012 CB GLU A 67 57.672 -3.639 -4.133 1.00 0.00 C ATOM 1013 CG GLU A 67 59.099 -3.364 -3.686 1.00 0.00 C ATOM 1014 CD GLU A 67 60.114 -3.547 -4.796 1.00 0.00 C ATOM 1015 OE1 GLU A 67 60.280 -4.686 -5.277 1.00 0.00 O ATOM 1016 OE2 GLU A 67 60.776 -2.556 -5.173 1.00 0.00 O ATOM 0 H GLU A 67 55.119 -3.796 -4.408 1.00 0.00 H new ATOM 0 HA GLU A 67 56.984 -4.133 -2.170 1.00 0.00 H new ATOM 0 HB2 GLU A 67 57.619 -4.642 -4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 67 57.409 -2.943 -4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 67 59.165 -2.344 -3.306 1.00 0.00 H new ATOM 0 HG3 GLU A 67 59.349 -4.029 -2.859 1.00 0.00 H new ATOM 1023 N PHE A 68 56.521 -1.878 -1.233 1.00 0.00 N ATOM 1024 CA PHE A 68 56.450 -0.543 -0.663 1.00 0.00 C ATOM 1025 C PHE A 68 57.844 0.048 -0.523 1.00 0.00 C ATOM 1026 O PHE A 68 58.655 -0.431 0.275 1.00 0.00 O ATOM 1027 CB PHE A 68 55.766 -0.567 0.706 1.00 0.00 C ATOM 1028 CG PHE A 68 54.326 -0.996 0.674 1.00 0.00 C ATOM 1029 CD1 PHE A 68 53.327 -0.085 0.368 1.00 0.00 C ATOM 1030 CD2 PHE A 68 53.972 -2.303 0.966 1.00 0.00 C ATOM 1031 CE1 PHE A 68 52.000 -0.472 0.352 1.00 0.00 C ATOM 1032 CE2 PHE A 68 52.647 -2.694 0.949 1.00 0.00 C ATOM 1033 CZ PHE A 68 51.661 -1.779 0.641 1.00 0.00 C ATOM 0 H PHE A 68 56.561 -2.630 -0.545 1.00 0.00 H new ATOM 0 HA PHE A 68 55.861 0.077 -1.338 1.00 0.00 H new ATOM 0 HB2 PHE A 68 56.318 -1.239 1.363 1.00 0.00 H new ATOM 0 HB3 PHE A 68 55.826 0.428 1.146 1.00 0.00 H new ATOM 0 HD1 PHE A 68 53.588 0.938 0.140 1.00 0.00 H new ATOM 0 HD2 PHE A 68 54.739 -3.023 1.209 1.00 0.00 H new ATOM 0 HE1 PHE A 68 51.230 0.247 0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 68 52.383 -3.716 1.177 1.00 0.00 H new ATOM 0 HZ PHE A 68 50.625 -2.085 0.626 1.00 0.00 H new ATOM 1043 N VAL A 69 58.126 1.070 -1.307 1.00 0.00 N ATOM 1044 CA VAL A 69 59.417 1.741 -1.250 1.00 0.00 C ATOM 1045 C VAL A 69 59.308 3.032 -0.451 1.00 0.00 C ATOM 1046 O VAL A 69 58.215 3.568 -0.283 1.00 0.00 O ATOM 1047 CB VAL A 69 59.970 2.047 -2.657 1.00 0.00 C ATOM 1048 CG1 VAL A 69 60.124 0.766 -3.465 1.00 0.00 C ATOM 1049 CG2 VAL A 69 59.080 3.043 -3.389 1.00 0.00 C ATOM 0 H VAL A 69 57.479 1.457 -1.994 1.00 0.00 H new ATOM 0 HA VAL A 69 60.112 1.062 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 69 60.955 2.499 -2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 69 60.515 1.004 -4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 69 60.814 0.094 -2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 69 59.153 0.281 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 69 59.493 3.241 -4.378 1.00 0.00 H new ATOM 0 HG22 VAL A 69 58.077 2.628 -3.491 1.00 0.00 H new ATOM 0 HG23 VAL A 69 59.032 3.973 -2.823 1.00 0.00 H new ATOM 1059 N LEU A 70 60.431 3.524 0.043 1.00 0.00 N ATOM 1060 CA LEU A 70 60.435 4.747 0.833 1.00 0.00 C ATOM 1061 C LEU A 70 60.374 5.969 -0.075 1.00 0.00 C ATOM 1062 O LEU A 70 61.241 6.164 -0.927 1.00 0.00 O ATOM 1063 CB LEU A 70 61.685 4.807 1.718 1.00 0.00 C ATOM 1064 CG LEU A 70 61.826 3.656 2.717 1.00 0.00 C ATOM 1065 CD1 LEU A 70 63.098 3.815 3.535 1.00 0.00 C ATOM 1066 CD2 LEU A 70 60.607 3.583 3.627 1.00 0.00 C ATOM 0 H LEU A 70 61.349 3.099 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 70 59.553 4.746 1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 70 62.566 4.821 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 70 61.677 5.747 2.269 1.00 0.00 H new ATOM 0 HG LEU A 70 61.891 2.722 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 70 63.183 2.988 4.240 1.00 0.00 H new ATOM 0 HD12 LEU A 70 63.961 3.814 2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 70 63.063 4.757 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 70 60.726 2.758 4.330 1.00 0.00 H new ATOM 0 HD22 LEU A 70 60.508 4.518 4.178 1.00 0.00 H new ATOM 0 HD23 LEU A 70 59.713 3.420 3.025 1.00 0.00 H new ATOM 1078 N ALA A 71 59.341 6.779 0.104 1.00 0.00 N ATOM 1079 CA ALA A 71 59.160 7.982 -0.695 1.00 0.00 C ATOM 1080 C ALA A 71 59.519 9.227 0.112 1.00 0.00 C ATOM 1081 O ALA A 71 58.668 9.705 0.888 1.00 0.00 O ATOM 1082 CB ALA A 71 57.728 8.070 -1.208 1.00 0.00 C ATOM 1083 OXT ALA A 71 60.659 9.721 -0.037 1.00 0.00 O ATOM 0 H ALA A 71 58.611 6.624 0.800 1.00 0.00 H new ATOM 0 HA ALA A 71 59.831 7.928 -1.552 1.00 0.00 H new ATOM 0 HB1 ALA A 71 57.610 8.975 -1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 71 57.508 7.199 -1.825 1.00 0.00 H new ATOM 0 HB3 ALA A 71 57.040 8.099 -0.363 1.00 0.00 H new