USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 565 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 40 ASN : amide:sc= -5.45! C(o=-7.6!,f=-9.9!) USER MOD Set 1.2: A 79 THR OG1 : rot 180:sc= -2.12! USER MOD Set 2.1: A 7 CYS SG : rot -177:sc= -1.92! USER MOD Set 2.2: A 12 CYS SG : rot -169:sc= -10.9! USER MOD Set 2.3: A 62 CYS SG : rot -149:sc= -12.8! USER MOD Set 2.4: A 65 HIS : no HE2:sc= -27.4! C(o=-53!,f=-49!) USER MOD Set 3.1: A 54 GLN : amide:sc= -0.653 K(o=-2.4,f=-5.3) USER MOD Set 3.2: A 56 THR OG1 : rot 80:sc= -1.79 USER MOD Set 4.1: A 16 SER OG : rot 153:sc= -3.91! USER MOD Set 4.2: A 17 HIS : no HD1:sc= -1.75 X(o=-5.7,f=-5.6!) USER MOD Single : A 6 THR OG1 : rot 30:sc= -4.68! USER MOD Single : A 8 CYS SG : rot -50:sc= -1.21! USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -20! C(o=-20!,f=-17!) USER MOD Single : A 15 ASN : amide:sc= -1.15! C(o=-1.1!,f=-7.1!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.34) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 145:sc= -1.3 (180deg=-3.42!) USER MOD Single : A 42 SER OG : rot -134:sc= 0.742 USER MOD Single : A 52 THR OG1 : rot 0:sc= 0.753 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HE2:sc= -4.94! C(o=-4.9!,f=-5.3!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -11.4! C(o=-11!,f=-11!) USER MOD Single : A 71 LYS NZ :NH3+ -136:sc= 0.918 (180deg=-1.62!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.432 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -80:sc= -0.811! USER MOD ----------------------------------------------------------------- ATOM 35 N GLY A 4 3.307 13.169 -1.858 1.00 0.00 N ATOM 36 CA GLY A 4 2.326 12.264 -1.270 1.00 0.00 C ATOM 37 C GLY A 4 2.659 10.784 -1.531 1.00 0.00 C ATOM 38 O GLY A 4 3.808 10.488 -1.857 1.00 0.00 O ATOM 0 HA2 GLY A 4 2.275 12.438 -0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.340 12.488 -1.676 1.00 0.00 H new ATOM 42 N PHE A 5 1.675 9.851 -1.417 1.00 0.00 N ATOM 43 CA PHE A 5 1.903 8.432 -1.667 1.00 0.00 C ATOM 44 C PHE A 5 0.841 7.590 -0.961 1.00 0.00 C ATOM 45 O PHE A 5 1.032 6.403 -0.711 1.00 0.00 O ATOM 46 CB PHE A 5 3.293 7.961 -1.284 1.00 0.00 C ATOM 47 CG PHE A 5 3.524 7.871 0.189 1.00 0.00 C ATOM 48 CD1 PHE A 5 3.907 8.984 0.914 1.00 0.00 C ATOM 49 CD2 PHE A 5 3.365 6.667 0.841 1.00 0.00 C ATOM 50 CE1 PHE A 5 4.130 8.897 2.274 1.00 0.00 C ATOM 51 CE2 PHE A 5 3.585 6.570 2.201 1.00 0.00 C ATOM 52 CZ PHE A 5 3.970 7.687 2.919 1.00 0.00 C ATOM 0 H PHE A 5 0.716 10.075 -1.151 1.00 0.00 H new ATOM 0 HA PHE A 5 1.824 8.297 -2.746 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.468 6.981 -1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.027 8.642 -1.715 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.033 9.932 0.411 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.066 5.792 0.283 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.429 9.773 2.831 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.456 5.623 2.703 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.145 7.613 3.982 1.00 0.00 H new ATOM 62 N THR A 6 -0.294 8.245 -0.698 1.00 0.00 N ATOM 63 CA THR A 6 -1.475 7.656 -0.082 1.00 0.00 C ATOM 64 C THR A 6 -1.932 6.392 -0.815 1.00 0.00 C ATOM 65 O THR A 6 -3.061 6.289 -1.264 1.00 0.00 O ATOM 66 CB THR A 6 -2.542 8.772 -0.033 1.00 0.00 C ATOM 67 OG1 THR A 6 -2.322 9.579 1.099 1.00 0.00 O ATOM 68 CG2 THR A 6 -4.000 8.345 0.012 1.00 0.00 C ATOM 0 H THR A 6 -0.414 9.234 -0.918 1.00 0.00 H new ATOM 0 HA THR A 6 -1.268 7.306 0.929 1.00 0.00 H new ATOM 0 HB THR A 6 -2.409 9.283 -0.986 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.366 9.588 1.313 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.637 9.229 0.044 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.235 7.760 -0.877 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.175 7.740 0.902 1.00 0.00 H new ATOM 76 N CYS A 7 -1.049 5.395 -0.893 1.00 0.00 N ATOM 77 CA CYS A 7 -1.388 4.136 -1.541 1.00 0.00 C ATOM 78 C CYS A 7 -2.013 4.407 -2.895 1.00 0.00 C ATOM 79 O CYS A 7 -3.228 4.459 -2.993 1.00 0.00 O ATOM 80 CB CYS A 7 -2.390 3.361 -0.672 1.00 0.00 C ATOM 81 SG CYS A 7 -2.999 1.815 -1.396 1.00 0.00 S ATOM 0 H CYS A 7 -0.102 5.438 -0.517 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.480 3.547 -1.669 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -1.919 3.136 0.285 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.243 4.007 -0.463 1.00 0.00 H new ATOM 0 HG CYS A 7 -3.885 1.285 -0.606 1.00 0.00 H new ATOM 86 N CYS A 8 -1.193 4.594 -3.932 1.00 0.00 N ATOM 87 CA CYS A 8 -1.720 4.867 -5.271 1.00 0.00 C ATOM 88 C CYS A 8 -2.966 4.023 -5.512 1.00 0.00 C ATOM 89 O CYS A 8 -2.938 3.006 -6.205 1.00 0.00 O ATOM 90 CB CYS A 8 -0.664 4.586 -6.326 1.00 0.00 C ATOM 91 SG CYS A 8 -1.257 4.752 -8.030 1.00 0.00 S ATOM 0 H CYS A 8 -0.175 4.562 -3.873 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.990 5.921 -5.341 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.174 5.267 -6.176 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.282 3.575 -6.182 1.00 0.00 H new ATOM 0 HG CYS A 8 -2.359 4.078 -8.174 1.00 0.00 H new ATOM 97 N VAL A 9 -4.032 4.448 -4.858 1.00 0.00 N ATOM 98 CA VAL A 9 -5.314 3.769 -4.873 1.00 0.00 C ATOM 99 C VAL A 9 -6.082 3.935 -6.172 1.00 0.00 C ATOM 100 O VAL A 9 -6.665 4.988 -6.431 1.00 0.00 O ATOM 101 CB VAL A 9 -6.190 4.293 -3.711 1.00 0.00 C ATOM 102 CG1 VAL A 9 -7.658 3.926 -3.872 1.00 0.00 C ATOM 103 CG2 VAL A 9 -5.657 3.784 -2.404 1.00 0.00 C ATOM 0 H VAL A 9 -4.030 5.294 -4.289 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.095 2.707 -4.764 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.139 5.382 -3.728 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.226 4.319 -3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.041 4.355 -4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.760 2.841 -3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.277 4.156 -1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.673 2.694 -2.404 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.633 4.132 -2.268 1.00 0.00 H new ATOM 113 N PRO A 10 -6.158 2.865 -6.976 1.00 0.00 N ATOM 114 CA PRO A 10 -6.934 2.883 -8.201 1.00 0.00 C ATOM 115 C PRO A 10 -8.419 2.766 -7.869 1.00 0.00 C ATOM 116 O PRO A 10 -9.280 3.089 -8.689 1.00 0.00 O ATOM 117 CB PRO A 10 -6.441 1.642 -8.940 1.00 0.00 C ATOM 118 CG PRO A 10 -6.097 0.692 -7.850 1.00 0.00 C ATOM 119 CD PRO A 10 -5.558 1.537 -6.723 1.00 0.00 C ATOM 0 HA PRO A 10 -6.818 3.796 -8.786 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.210 1.236 -9.597 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.575 1.865 -9.564 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.974 0.128 -7.531 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.355 -0.034 -8.184 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.850 1.143 -5.750 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.469 1.578 -6.737 1.00 0.00 H new ATOM 127 N GLY A 11 -8.711 2.303 -6.641 1.00 0.00 N ATOM 128 CA GLY A 11 -10.090 2.156 -6.215 1.00 0.00 C ATOM 129 C GLY A 11 -10.292 1.889 -4.716 1.00 0.00 C ATOM 130 O GLY A 11 -11.434 1.901 -4.255 1.00 0.00 O ATOM 0 H GLY A 11 -8.016 2.032 -5.946 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.633 3.063 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.541 1.338 -6.776 1.00 0.00 H new ATOM 134 N CYS A 12 -9.225 1.629 -3.940 1.00 0.00 N ATOM 135 CA CYS A 12 -9.412 1.348 -2.507 1.00 0.00 C ATOM 136 C CYS A 12 -9.778 2.612 -1.686 1.00 0.00 C ATOM 137 O CYS A 12 -10.653 3.375 -2.093 1.00 0.00 O ATOM 138 CB CYS A 12 -8.229 0.570 -1.878 1.00 0.00 C ATOM 139 SG CYS A 12 -6.561 0.968 -2.465 1.00 0.00 S ATOM 0 H CYS A 12 -8.259 1.608 -4.265 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.275 0.684 -2.457 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.254 0.732 -0.800 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.399 -0.494 -2.044 1.00 0.00 H new ATOM 0 HG CYS A 12 -5.721 0.083 -2.017 1.00 0.00 H new ATOM 144 N TYR A 13 -9.163 2.795 -0.503 1.00 0.00 N ATOM 145 CA TYR A 13 -9.494 3.919 0.385 1.00 0.00 C ATOM 146 C TYR A 13 -9.219 5.295 -0.262 1.00 0.00 C ATOM 147 O TYR A 13 -10.066 5.857 -0.957 1.00 0.00 O ATOM 148 CB TYR A 13 -8.751 3.772 1.731 1.00 0.00 C ATOM 149 CG TYR A 13 -9.566 4.226 2.937 1.00 0.00 C ATOM 150 CD1 TYR A 13 -10.958 4.140 2.947 1.00 0.00 C ATOM 151 CD2 TYR A 13 -8.942 4.741 4.069 1.00 0.00 C ATOM 152 CE1 TYR A 13 -11.694 4.553 4.042 1.00 0.00 C ATOM 153 CE2 TYR A 13 -9.674 5.154 5.166 1.00 0.00 C ATOM 154 CZ TYR A 13 -11.047 5.059 5.148 1.00 0.00 C ATOM 155 OH TYR A 13 -11.777 5.470 6.239 1.00 0.00 O ATOM 0 H TYR A 13 -8.435 2.178 -0.142 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.568 3.882 0.569 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -8.469 2.728 1.867 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.827 4.349 1.690 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -11.471 3.743 2.083 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -7.865 4.819 4.091 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -12.771 4.479 4.030 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -9.170 5.550 6.035 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.169 5.800 6.934 1.00 0.00 H new ATOM 165 N ASN A 14 -8.031 5.818 0.005 1.00 0.00 N ATOM 166 CA ASN A 14 -7.547 7.112 -0.473 1.00 0.00 C ATOM 167 C ASN A 14 -6.224 6.840 -1.215 1.00 0.00 C ATOM 168 O ASN A 14 -5.605 5.826 -0.929 1.00 0.00 O ATOM 169 CB ASN A 14 -7.398 8.047 0.717 1.00 0.00 C ATOM 170 CG ASN A 14 -6.693 7.334 1.854 1.00 0.00 C ATOM 171 OD1 ASN A 14 -5.609 7.709 2.267 1.00 0.00 O ATOM 172 ND2 ASN A 14 -7.371 6.304 2.382 1.00 0.00 N ATOM 0 H ASN A 14 -7.346 5.334 0.585 1.00 0.00 H new ATOM 0 HA ASN A 14 -8.234 7.603 -1.163 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.832 8.932 0.426 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.379 8.390 1.045 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.982 5.789 3.172 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.275 6.036 1.993 1.00 0.00 H new ATOM 179 N ASN A 15 -5.815 7.645 -2.215 1.00 0.00 N ATOM 180 CA ASN A 15 -4.614 7.282 -2.999 1.00 0.00 C ATOM 181 C ASN A 15 -3.377 8.206 -2.846 1.00 0.00 C ATOM 182 O ASN A 15 -3.514 9.351 -2.422 1.00 0.00 O ATOM 183 CB ASN A 15 -4.979 7.214 -4.499 1.00 0.00 C ATOM 184 CG ASN A 15 -6.090 8.178 -4.896 1.00 0.00 C ATOM 185 OD1 ASN A 15 -7.064 8.363 -4.167 1.00 0.00 O ATOM 186 ND2 ASN A 15 -5.952 8.789 -6.068 1.00 0.00 N ATOM 0 H ASN A 15 -6.273 8.513 -2.492 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.311 6.320 -2.586 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -4.090 7.432 -5.092 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.285 6.197 -4.745 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.669 9.438 -6.392 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -5.129 8.609 -6.643 1.00 0.00 H new ATOM 193 N SER A 16 -2.143 7.685 -3.203 1.00 0.00 N ATOM 194 CA SER A 16 -0.927 8.392 -3.097 1.00 0.00 C ATOM 195 C SER A 16 -1.089 9.848 -3.571 1.00 0.00 C ATOM 196 O SER A 16 -2.159 10.229 -4.035 1.00 0.00 O ATOM 197 CB SER A 16 0.175 7.651 -3.917 1.00 0.00 C ATOM 198 OG SER A 16 1.150 8.557 -4.408 1.00 0.00 O ATOM 0 H SER A 16 -2.029 6.741 -3.572 1.00 0.00 H new ATOM 0 HA SER A 16 -0.626 8.427 -2.050 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.656 6.901 -3.289 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.284 7.121 -4.751 1.00 0.00 H new ATOM 0 HG SER A 16 2.003 8.089 -4.523 1.00 0.00 H new ATOM 204 N HIS A 17 -0.017 10.638 -3.485 1.00 0.00 N ATOM 205 CA HIS A 17 -0.014 12.040 -3.922 1.00 0.00 C ATOM 206 C HIS A 17 -1.427 12.601 -4.105 1.00 0.00 C ATOM 207 O HIS A 17 -1.780 13.044 -5.199 1.00 0.00 O ATOM 208 CB HIS A 17 0.774 12.153 -5.229 1.00 0.00 C ATOM 209 CG HIS A 17 0.069 11.569 -6.418 1.00 0.00 C ATOM 210 ND1 HIS A 17 -0.538 12.342 -7.385 1.00 0.00 N ATOM 211 CD2 HIS A 17 -0.120 10.282 -6.793 1.00 0.00 C ATOM 212 CE1 HIS A 17 -1.074 11.555 -8.302 1.00 0.00 C ATOM 213 NE2 HIS A 17 -0.832 10.302 -7.967 1.00 0.00 N ATOM 0 H HIS A 17 0.878 10.324 -3.109 1.00 0.00 H new ATOM 0 HA HIS A 17 0.460 12.635 -3.141 1.00 0.00 H new ATOM 0 HB2 HIS A 17 0.985 13.204 -5.425 1.00 0.00 H new ATOM 0 HB3 HIS A 17 1.735 11.653 -5.107 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.225 9.404 -6.267 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -1.617 11.882 -9.176 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -1.126 9.480 -8.495 1.00 0.00 H new ATOM 222 N ARG A 18 -2.255 12.567 -3.053 1.00 0.00 N ATOM 223 CA ARG A 18 -3.616 13.064 -3.199 1.00 0.00 C ATOM 224 C ARG A 18 -4.327 13.403 -1.868 1.00 0.00 C ATOM 225 O ARG A 18 -5.093 14.365 -1.821 1.00 0.00 O ATOM 226 CB ARG A 18 -4.423 12.040 -3.999 1.00 0.00 C ATOM 227 CG ARG A 18 -5.425 12.653 -4.944 1.00 0.00 C ATOM 228 CD ARG A 18 -5.159 12.188 -6.367 1.00 0.00 C ATOM 229 NE ARG A 18 -5.373 13.251 -7.347 1.00 0.00 N ATOM 230 CZ ARG A 18 -5.524 13.036 -8.651 1.00 0.00 C ATOM 231 NH1 ARG A 18 -5.484 11.801 -9.137 1.00 0.00 N ATOM 232 NH2 ARG A 18 -5.716 14.058 -9.473 1.00 0.00 N ATOM 0 H ARG A 18 -2.014 12.213 -2.127 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.553 14.016 -3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.735 11.416 -4.570 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.948 11.384 -3.305 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.435 12.374 -4.645 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.367 13.740 -4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.133 11.828 -6.443 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.811 11.346 -6.600 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.409 14.214 -7.012 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.337 11.010 -8.509 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -5.600 11.643 -10.138 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.748 15.009 -9.106 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.832 13.893 -10.473 1.00 0.00 H new ATOM 246 N ASP A 19 -4.111 12.625 -0.799 1.00 0.00 N ATOM 247 CA ASP A 19 -4.788 12.899 0.476 1.00 0.00 C ATOM 248 C ASP A 19 -3.872 12.705 1.682 1.00 0.00 C ATOM 249 O ASP A 19 -3.403 13.670 2.285 1.00 0.00 O ATOM 250 CB ASP A 19 -6.019 12.002 0.614 1.00 0.00 C ATOM 251 CG ASP A 19 -7.103 12.354 -0.383 1.00 0.00 C ATOM 252 OD1 ASP A 19 -7.813 13.359 -0.160 1.00 0.00 O ATOM 253 OD2 ASP A 19 -7.245 11.627 -1.389 1.00 0.00 O ATOM 0 H ASP A 19 -3.487 11.818 -0.789 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.086 13.947 0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.725 10.962 0.475 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.417 12.088 1.625 1.00 0.00 H new ATOM 258 N LYS A 20 -3.644 11.449 2.029 1.00 0.00 N ATOM 259 CA LYS A 20 -2.807 11.080 3.170 1.00 0.00 C ATOM 260 C LYS A 20 -3.432 11.497 4.506 1.00 0.00 C ATOM 261 O LYS A 20 -2.765 11.467 5.541 1.00 0.00 O ATOM 262 CB LYS A 20 -1.403 11.692 3.016 1.00 0.00 C ATOM 263 CG LYS A 20 -1.181 12.984 3.797 1.00 0.00 C ATOM 264 CD LYS A 20 -0.309 13.961 3.021 1.00 0.00 C ATOM 265 CE LYS A 20 1.112 13.998 3.563 1.00 0.00 C ATOM 266 NZ LYS A 20 2.108 13.593 2.534 1.00 0.00 N ATOM 0 H LYS A 20 -4.033 10.650 1.528 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.727 9.993 3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.664 10.958 3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.220 11.886 1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.143 13.448 4.016 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.711 12.756 4.754 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.290 13.676 1.969 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.745 14.959 3.073 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.341 15.004 3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.190 13.335 4.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.064 13.631 2.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.905 12.623 2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.052 14.241 1.723 1.00 0.00 H new ATOM 280 N ALA A 21 -4.708 11.878 4.490 1.00 0.00 N ATOM 281 CA ALA A 21 -5.386 12.286 5.723 1.00 0.00 C ATOM 282 C ALA A 21 -6.191 11.145 6.386 1.00 0.00 C ATOM 283 O ALA A 21 -6.809 11.359 7.428 1.00 0.00 O ATOM 284 CB ALA A 21 -6.300 13.469 5.445 1.00 0.00 C ATOM 0 H ALA A 21 -5.288 11.913 3.651 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.605 12.569 6.429 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.801 13.766 6.366 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.710 14.304 5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.046 13.186 4.702 1.00 0.00 H new ATOM 290 N LEU A 22 -6.196 9.940 5.791 1.00 0.00 N ATOM 291 CA LEU A 22 -6.938 8.810 6.341 1.00 0.00 C ATOM 292 C LEU A 22 -5.904 7.839 7.016 1.00 0.00 C ATOM 293 O LEU A 22 -4.860 8.325 7.450 1.00 0.00 O ATOM 294 CB LEU A 22 -7.842 8.191 5.215 1.00 0.00 C ATOM 295 CG LEU A 22 -8.518 9.183 4.222 1.00 0.00 C ATOM 296 CD1 LEU A 22 -10.004 8.858 4.057 1.00 0.00 C ATOM 297 CD2 LEU A 22 -8.382 10.635 4.654 1.00 0.00 C ATOM 0 H LEU A 22 -5.692 9.731 4.929 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.638 9.092 7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.233 7.496 4.637 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.626 7.605 5.695 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.996 9.060 3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.455 9.563 3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.114 7.845 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.503 8.934 5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.872 11.279 3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.850 10.770 5.629 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.326 10.898 4.719 1.00 0.00 H new ATOM 309 N HIS A 23 -6.150 6.513 7.176 1.00 0.00 N ATOM 310 CA HIS A 23 -5.185 5.649 7.863 1.00 0.00 C ATOM 311 C HIS A 23 -4.307 4.840 6.877 1.00 0.00 C ATOM 312 O HIS A 23 -4.816 4.379 5.857 1.00 0.00 O ATOM 313 CB HIS A 23 -5.961 4.660 8.741 1.00 0.00 C ATOM 314 CG HIS A 23 -5.541 4.667 10.178 1.00 0.00 C ATOM 315 ND1 HIS A 23 -4.302 5.102 10.599 1.00 0.00 N ATOM 316 CD2 HIS A 23 -6.205 4.291 11.298 1.00 0.00 C ATOM 317 CE1 HIS A 23 -4.220 4.991 11.912 1.00 0.00 C ATOM 318 NE2 HIS A 23 -5.362 4.501 12.361 1.00 0.00 N ATOM 0 H HIS A 23 -6.990 6.038 6.844 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.526 6.287 8.451 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.024 4.893 8.682 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.833 3.655 8.340 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.210 3.899 11.345 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -3.365 5.256 12.516 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.582 4.310 13.339 1.00 0.00 H new ATOM 327 N PHE A 24 -2.998 4.622 7.183 1.00 0.00 N ATOM 328 CA PHE A 24 -2.158 3.823 6.295 1.00 0.00 C ATOM 329 C PHE A 24 -1.401 2.702 7.075 1.00 0.00 C ATOM 330 O PHE A 24 -0.847 2.969 8.141 1.00 0.00 O ATOM 331 CB PHE A 24 -1.183 4.706 5.491 1.00 0.00 C ATOM 332 CG PHE A 24 -1.857 5.454 4.355 1.00 0.00 C ATOM 333 CD1 PHE A 24 -2.828 6.403 4.636 1.00 0.00 C ATOM 334 CD2 PHE A 24 -1.581 5.181 3.004 1.00 0.00 C ATOM 335 CE1 PHE A 24 -3.485 7.060 3.617 1.00 0.00 C ATOM 336 CE2 PHE A 24 -2.248 5.817 2.016 1.00 0.00 C ATOM 337 CZ PHE A 24 -3.190 6.756 2.301 1.00 0.00 C ATOM 0 H PHE A 24 -2.529 4.982 8.014 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.819 3.333 5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.714 5.424 6.163 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.387 4.082 5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.072 6.630 5.663 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.825 4.452 2.752 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.228 7.810 3.846 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.030 5.577 0.986 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.707 7.264 1.500 1.00 0.00 H new ATOM 347 N TYR A 25 -1.376 1.448 6.547 1.00 0.00 N ATOM 348 CA TYR A 25 -0.694 0.322 7.200 1.00 0.00 C ATOM 349 C TYR A 25 0.799 0.305 6.817 1.00 0.00 C ATOM 350 O TYR A 25 1.163 0.876 5.797 1.00 0.00 O ATOM 351 CB TYR A 25 -1.346 -1.005 6.797 1.00 0.00 C ATOM 352 CG TYR A 25 -2.613 -1.330 7.560 1.00 0.00 C ATOM 353 CD1 TYR A 25 -3.501 -0.328 7.927 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.920 -2.639 7.910 1.00 0.00 C ATOM 355 CE1 TYR A 25 -4.661 -0.620 8.622 1.00 0.00 C ATOM 356 CE2 TYR A 25 -4.080 -2.941 8.603 1.00 0.00 C ATOM 357 CZ TYR A 25 -4.945 -1.928 8.957 1.00 0.00 C ATOM 358 OH TYR A 25 -6.098 -2.221 9.647 1.00 0.00 O ATOM 0 H TYR A 25 -1.826 1.202 5.665 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.783 0.447 8.279 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.574 -0.976 5.731 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.627 -1.811 6.948 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.283 0.697 7.666 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.242 -3.434 7.637 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.341 0.172 8.901 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.306 -3.964 8.865 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.149 -3.187 9.803 1.00 0.00 H new ATOM 368 N THR A 26 1.674 -0.319 7.625 1.00 0.00 N ATOM 369 CA THR A 26 3.108 -0.318 7.316 1.00 0.00 C ATOM 370 C THR A 26 3.572 -1.666 6.732 1.00 0.00 C ATOM 371 O THR A 26 2.785 -2.606 6.618 1.00 0.00 O ATOM 372 CB THR A 26 3.931 0.043 8.563 1.00 0.00 C ATOM 373 OG1 THR A 26 4.610 -1.091 9.073 1.00 0.00 O ATOM 374 CG2 THR A 26 3.103 0.621 9.693 1.00 0.00 C ATOM 0 H THR A 26 1.419 -0.819 8.477 1.00 0.00 H new ATOM 0 HA THR A 26 3.275 0.442 6.553 1.00 0.00 H new ATOM 0 HB THR A 26 4.632 0.804 8.220 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.127 -0.834 9.865 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.751 0.851 10.538 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.611 1.533 9.354 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.350 -0.105 10.000 1.00 0.00 H new ATOM 382 N PHE A 27 4.836 -1.715 6.277 1.00 0.00 N ATOM 383 CA PHE A 27 5.385 -2.892 5.602 1.00 0.00 C ATOM 384 C PHE A 27 5.821 -4.068 6.503 1.00 0.00 C ATOM 385 O PHE A 27 6.502 -3.852 7.505 1.00 0.00 O ATOM 386 CB PHE A 27 6.624 -2.470 4.825 1.00 0.00 C ATOM 387 CG PHE A 27 6.416 -2.187 3.365 1.00 0.00 C ATOM 388 CD1 PHE A 27 5.151 -2.114 2.822 1.00 0.00 C ATOM 389 CD2 PHE A 27 7.504 -1.989 2.532 1.00 0.00 C ATOM 390 CE1 PHE A 27 4.973 -1.852 1.480 1.00 0.00 C ATOM 391 CE2 PHE A 27 7.335 -1.731 1.199 1.00 0.00 C ATOM 392 CZ PHE A 27 6.066 -1.662 0.666 1.00 0.00 C ATOM 0 H PHE A 27 5.497 -0.944 6.368 1.00 0.00 H new ATOM 0 HA PHE A 27 4.560 -3.258 4.991 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.037 -1.576 5.294 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.374 -3.255 4.920 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.289 -2.264 3.455 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.502 -2.039 2.941 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.976 -1.796 1.068 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.196 -1.581 0.565 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.930 -1.460 -0.386 1.00 0.00 H new ATOM 402 N PRO A 28 5.466 -5.340 6.141 1.00 0.00 N ATOM 403 CA PRO A 28 5.871 -6.534 6.913 1.00 0.00 C ATOM 404 C PRO A 28 7.347 -6.462 7.359 1.00 0.00 C ATOM 405 O PRO A 28 8.070 -5.545 6.969 1.00 0.00 O ATOM 406 CB PRO A 28 5.716 -7.639 5.847 1.00 0.00 C ATOM 407 CG PRO A 28 4.503 -7.224 5.116 1.00 0.00 C ATOM 408 CD PRO A 28 4.596 -5.729 4.996 1.00 0.00 C ATOM 0 HA PRO A 28 5.295 -6.671 7.828 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.585 -7.692 5.191 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.598 -8.623 6.300 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.457 -7.694 4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.601 -7.519 5.653 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.030 -5.429 4.042 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.614 -5.260 5.061 1.00 0.00 H new ATOM 416 N LYS A 29 7.796 -7.422 8.181 1.00 0.00 N ATOM 417 CA LYS A 29 9.179 -7.429 8.670 1.00 0.00 C ATOM 418 C LYS A 29 10.130 -8.077 7.671 1.00 0.00 C ATOM 419 O LYS A 29 11.332 -7.813 7.673 1.00 0.00 O ATOM 420 CB LYS A 29 9.278 -8.172 10.008 1.00 0.00 C ATOM 421 CG LYS A 29 8.230 -9.259 10.203 1.00 0.00 C ATOM 422 CD LYS A 29 8.702 -10.317 11.191 1.00 0.00 C ATOM 423 CE LYS A 29 8.082 -10.119 12.565 1.00 0.00 C ATOM 424 NZ LYS A 29 7.571 -11.397 13.134 1.00 0.00 N ATOM 0 H LYS A 29 7.225 -8.197 8.518 1.00 0.00 H new ATOM 0 HA LYS A 29 9.472 -6.388 8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.268 -8.620 10.088 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.189 -7.449 10.819 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.303 -8.812 10.562 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.008 -9.728 9.244 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.445 -11.307 10.815 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.788 -10.280 11.273 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.824 -9.692 13.240 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.265 -9.401 12.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.156 -11.219 14.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.844 -11.792 12.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.355 -12.074 13.226 1.00 0.00 H new ATOM 438 N ASP A 30 9.581 -8.935 6.833 1.00 0.00 N ATOM 439 CA ASP A 30 10.364 -9.652 5.827 1.00 0.00 C ATOM 440 C ASP A 30 10.588 -8.773 4.589 1.00 0.00 C ATOM 441 O ASP A 30 9.629 -8.413 3.904 1.00 0.00 O ATOM 442 CB ASP A 30 9.627 -10.942 5.413 1.00 0.00 C ATOM 443 CG ASP A 30 8.355 -11.197 6.203 1.00 0.00 C ATOM 444 OD1 ASP A 30 7.436 -10.353 6.136 1.00 0.00 O ATOM 445 OD2 ASP A 30 8.279 -12.240 6.887 1.00 0.00 O ATOM 0 H ASP A 30 8.586 -9.159 6.824 1.00 0.00 H new ATOM 0 HA ASP A 30 11.332 -9.905 6.259 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.381 -10.885 4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.299 -11.791 5.539 1.00 0.00 H new ATOM 450 N ALA A 31 11.850 -8.413 4.308 1.00 0.00 N ATOM 451 CA ALA A 31 12.168 -7.567 3.166 1.00 0.00 C ATOM 452 C ALA A 31 11.391 -7.968 1.869 1.00 0.00 C ATOM 453 O ALA A 31 10.552 -7.215 1.408 1.00 0.00 O ATOM 454 CB ALA A 31 13.689 -7.521 2.967 1.00 0.00 C ATOM 0 H ALA A 31 12.659 -8.698 4.859 1.00 0.00 H new ATOM 0 HA ALA A 31 11.823 -6.557 3.385 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.925 -6.887 2.112 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.161 -7.114 3.861 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.063 -8.529 2.786 1.00 0.00 H new ATOM 460 N GLU A 32 11.645 -9.138 1.273 1.00 0.00 N ATOM 461 CA GLU A 32 10.939 -9.531 0.029 1.00 0.00 C ATOM 462 C GLU A 32 9.449 -9.349 0.097 1.00 0.00 C ATOM 463 O GLU A 32 8.936 -8.530 -0.667 1.00 0.00 O ATOM 464 CB GLU A 32 11.320 -10.960 -0.387 1.00 0.00 C ATOM 465 CG GLU A 32 10.436 -11.576 -1.465 1.00 0.00 C ATOM 466 CD GLU A 32 9.131 -12.118 -0.915 1.00 0.00 C ATOM 467 OE1 GLU A 32 9.105 -12.515 0.270 1.00 0.00 O ATOM 468 OE2 GLU A 32 8.138 -12.150 -1.669 1.00 0.00 O ATOM 0 H GLU A 32 12.318 -9.823 1.616 1.00 0.00 H new ATOM 0 HA GLU A 32 11.277 -8.843 -0.746 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.350 -10.956 -0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.289 -11.599 0.495 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.221 -10.825 -2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.980 -12.382 -1.958 1.00 0.00 H new ATOM 475 N LEU A 33 8.722 -10.053 0.964 1.00 0.00 N ATOM 476 CA LEU A 33 7.296 -9.830 1.001 1.00 0.00 C ATOM 477 C LEU A 33 7.024 -8.337 0.795 1.00 0.00 C ATOM 478 O LEU A 33 6.109 -7.929 0.083 1.00 0.00 O ATOM 479 CB LEU A 33 6.728 -10.296 2.351 1.00 0.00 C ATOM 480 CG LEU A 33 5.234 -10.607 2.382 1.00 0.00 C ATOM 481 CD1 LEU A 33 4.596 -10.489 1.007 1.00 0.00 C ATOM 482 CD2 LEU A 33 5.002 -11.995 2.926 1.00 0.00 C ATOM 0 H LEU A 33 9.083 -10.748 1.617 1.00 0.00 H new ATOM 0 HA LEU A 33 6.810 -10.400 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.270 -11.189 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.933 -9.525 3.094 1.00 0.00 H new ATOM 0 HG LEU A 33 4.766 -9.869 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.533 -10.719 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.723 -9.473 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.074 -11.190 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.933 -12.205 2.943 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.505 -12.724 2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.401 -12.060 3.938 1.00 0.00 H new ATOM 494 N ARG A 34 7.901 -7.540 1.384 1.00 0.00 N ATOM 495 CA ARG A 34 7.819 -6.080 1.290 1.00 0.00 C ATOM 496 C ARG A 34 7.855 -5.624 -0.141 1.00 0.00 C ATOM 497 O ARG A 34 6.917 -4.970 -0.611 1.00 0.00 O ATOM 498 CB ARG A 34 8.908 -5.368 2.147 1.00 0.00 C ATOM 499 CG ARG A 34 10.192 -4.943 1.419 1.00 0.00 C ATOM 500 CD ARG A 34 10.295 -3.435 1.259 1.00 0.00 C ATOM 501 NE ARG A 34 11.418 -2.883 2.015 1.00 0.00 N ATOM 502 CZ ARG A 34 11.513 -1.607 2.388 1.00 0.00 C ATOM 503 NH1 ARG A 34 10.556 -0.742 2.073 1.00 0.00 N ATOM 504 NH2 ARG A 34 12.567 -1.195 3.076 1.00 0.00 N ATOM 0 H ARG A 34 8.687 -7.878 1.939 1.00 0.00 H new ATOM 0 HA ARG A 34 6.856 -5.788 1.708 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.461 -4.480 2.595 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.185 -6.033 2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.058 -5.307 1.972 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.222 -5.413 0.436 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.412 -3.189 0.204 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.368 -2.970 1.594 1.00 0.00 H new ATOM 0 HE ARG A 34 12.177 -3.514 2.273 1.00 0.00 H new ATOM 0 HH11 ARG A 34 9.742 -1.053 1.543 1.00 0.00 H new ATOM 0 HH12 ARG A 34 10.635 0.233 2.362 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.306 -1.854 3.320 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.640 -0.218 3.361 1.00 0.00 H new ATOM 518 N ARG A 35 8.903 -5.990 -0.856 1.00 0.00 N ATOM 519 CA ARG A 35 8.989 -5.597 -2.234 1.00 0.00 C ATOM 520 C ARG A 35 7.754 -6.100 -2.952 1.00 0.00 C ATOM 521 O ARG A 35 7.237 -5.419 -3.833 1.00 0.00 O ATOM 522 CB ARG A 35 10.313 -6.035 -2.925 1.00 0.00 C ATOM 523 CG ARG A 35 10.235 -7.312 -3.763 1.00 0.00 C ATOM 524 CD ARG A 35 11.046 -8.443 -3.159 1.00 0.00 C ATOM 525 NE ARG A 35 12.366 -7.997 -2.711 1.00 0.00 N ATOM 526 CZ ARG A 35 13.425 -7.893 -3.511 1.00 0.00 C ATOM 527 NH1 ARG A 35 13.326 -8.191 -4.801 1.00 0.00 N ATOM 528 NH2 ARG A 35 14.587 -7.483 -3.021 1.00 0.00 N ATOM 0 H ARG A 35 9.685 -6.545 -0.509 1.00 0.00 H new ATOM 0 HA ARG A 35 9.019 -4.509 -2.285 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.652 -5.222 -3.567 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.074 -6.173 -2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.194 -7.622 -3.854 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.596 -7.106 -4.771 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.502 -8.868 -2.315 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.163 -9.238 -3.896 1.00 0.00 H new ATOM 0 HE ARG A 35 12.481 -7.751 -1.728 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.434 -8.502 -5.186 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.142 -8.109 -5.408 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.669 -7.248 -2.032 1.00 0.00 H new ATOM 0 HH22 ARG A 35 15.399 -7.403 -3.633 1.00 0.00 H new ATOM 542 N LEU A 36 7.202 -7.250 -2.526 1.00 0.00 N ATOM 543 CA LEU A 36 5.978 -7.710 -3.190 1.00 0.00 C ATOM 544 C LEU A 36 4.913 -6.652 -3.069 1.00 0.00 C ATOM 545 O LEU A 36 4.271 -6.292 -4.058 1.00 0.00 O ATOM 546 CB LEU A 36 5.485 -9.064 -2.651 1.00 0.00 C ATOM 547 CG LEU A 36 6.387 -10.259 -2.968 1.00 0.00 C ATOM 548 CD1 LEU A 36 5.678 -11.563 -2.635 1.00 0.00 C ATOM 549 CD2 LEU A 36 6.810 -10.243 -4.430 1.00 0.00 C ATOM 0 H LEU A 36 7.557 -7.842 -1.775 1.00 0.00 H new ATOM 0 HA LEU A 36 6.208 -7.872 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.376 -8.988 -1.569 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.493 -9.260 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 36 7.283 -10.183 -2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.333 -12.403 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.427 -11.580 -1.574 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.765 -11.642 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.451 -11.101 -4.633 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.926 -10.292 -5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.357 -9.324 -4.640 1.00 0.00 H new ATOM 561 N TRP A 37 4.756 -6.096 -1.886 1.00 0.00 N ATOM 562 CA TRP A 37 3.778 -5.059 -1.727 1.00 0.00 C ATOM 563 C TRP A 37 4.132 -3.872 -2.600 1.00 0.00 C ATOM 564 O TRP A 37 3.232 -3.274 -3.208 1.00 0.00 O ATOM 565 CB TRP A 37 3.660 -4.641 -0.277 1.00 0.00 C ATOM 566 CG TRP A 37 2.847 -5.605 0.522 1.00 0.00 C ATOM 567 CD1 TRP A 37 2.761 -6.945 0.318 1.00 0.00 C ATOM 568 CD2 TRP A 37 2.000 -5.307 1.629 1.00 0.00 C ATOM 569 NE1 TRP A 37 1.950 -7.520 1.278 1.00 0.00 N ATOM 570 CE2 TRP A 37 1.459 -6.524 2.090 1.00 0.00 C ATOM 571 CE3 TRP A 37 1.661 -4.130 2.282 1.00 0.00 C ATOM 572 CZ2 TRP A 37 0.592 -6.579 3.187 1.00 0.00 C ATOM 573 CZ3 TRP A 37 0.811 -4.183 3.353 1.00 0.00 C ATOM 574 CH2 TRP A 37 0.285 -5.394 3.803 1.00 0.00 C ATOM 0 H TRP A 37 5.280 -6.341 -1.046 1.00 0.00 H new ATOM 0 HA TRP A 37 2.809 -5.448 -2.040 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.656 -4.560 0.158 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.206 -3.652 -0.221 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.254 -7.483 -0.478 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.749 -8.516 1.369 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.063 -3.185 1.949 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.182 -7.516 3.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.542 -3.268 3.860 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.378 -5.398 4.655 1.00 0.00 H new ATOM 585 N LEU A 38 5.449 -3.560 -2.723 1.00 0.00 N ATOM 586 CA LEU A 38 5.871 -2.464 -3.575 1.00 0.00 C ATOM 587 C LEU A 38 4.935 -2.464 -4.796 1.00 0.00 C ATOM 588 O LEU A 38 4.347 -1.442 -5.161 1.00 0.00 O ATOM 589 CB LEU A 38 7.334 -2.671 -4.027 1.00 0.00 C ATOM 590 CG LEU A 38 8.435 -2.110 -3.103 1.00 0.00 C ATOM 591 CD1 LEU A 38 9.197 -0.995 -3.802 1.00 0.00 C ATOM 592 CD2 LEU A 38 7.870 -1.611 -1.787 1.00 0.00 C ATOM 0 H LEU A 38 6.206 -4.051 -2.247 1.00 0.00 H new ATOM 0 HA LEU A 38 5.820 -1.514 -3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.504 -3.741 -4.147 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.453 -2.217 -5.011 1.00 0.00 H new ATOM 0 HG LEU A 38 9.120 -2.928 -2.880 1.00 0.00 H new ATOM 0 HD11 LEU A 38 9.970 -0.610 -3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 38 9.660 -1.384 -4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 38 8.508 -0.191 -4.062 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.679 -1.225 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.149 -0.817 -1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.376 -2.433 -1.268 1.00 0.00 H new ATOM 604 N LYS A 39 4.747 -3.664 -5.387 1.00 0.00 N ATOM 605 CA LYS A 39 3.886 -3.835 -6.534 1.00 0.00 C ATOM 606 C LYS A 39 2.487 -3.210 -6.351 1.00 0.00 C ATOM 607 O LYS A 39 2.088 -2.309 -7.105 1.00 0.00 O ATOM 608 CB LYS A 39 3.804 -5.350 -6.811 1.00 0.00 C ATOM 609 CG LYS A 39 4.737 -5.854 -7.903 1.00 0.00 C ATOM 610 CD LYS A 39 6.069 -5.113 -7.917 1.00 0.00 C ATOM 611 CE LYS A 39 6.169 -4.168 -9.102 1.00 0.00 C ATOM 612 NZ LYS A 39 7.584 -3.912 -9.488 1.00 0.00 N ATOM 0 H LYS A 39 5.193 -4.525 -5.070 1.00 0.00 H new ATOM 0 HA LYS A 39 4.308 -3.302 -7.386 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.026 -5.886 -5.888 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.779 -5.599 -7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.918 -6.919 -7.759 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.252 -5.741 -8.872 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.183 -4.550 -6.991 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.887 -5.833 -7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.632 -4.591 -9.951 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.683 -3.224 -8.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.649 -3.808 -10.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.916 -3.039 -9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 8.177 -4.710 -9.182 1.00 0.00 H new ATOM 626 N ASN A 40 1.754 -3.693 -5.357 1.00 0.00 N ATOM 627 CA ASN A 40 0.383 -3.229 -5.088 1.00 0.00 C ATOM 628 C ASN A 40 0.287 -1.731 -4.854 1.00 0.00 C ATOM 629 O ASN A 40 -0.783 -1.142 -5.004 1.00 0.00 O ATOM 630 CB ASN A 40 -0.249 -3.960 -3.885 1.00 0.00 C ATOM 631 CG ASN A 40 0.628 -5.037 -3.297 1.00 0.00 C ATOM 632 OD1 ASN A 40 1.093 -4.920 -2.167 1.00 0.00 O ATOM 633 ND2 ASN A 40 0.832 -6.105 -4.055 1.00 0.00 N ATOM 0 H ASN A 40 2.082 -4.413 -4.713 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.171 -3.467 -5.996 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.481 -3.230 -3.110 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.194 -4.404 -4.198 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.398 -6.878 -3.705 1.00 0.00 H new ATOM 0 HD22 ASN A 40 0.423 -6.154 -4.988 1.00 0.00 H new ATOM 640 N VAL A 41 1.373 -1.133 -4.418 1.00 0.00 N ATOM 641 CA VAL A 41 1.360 0.282 -4.090 1.00 0.00 C ATOM 642 C VAL A 41 1.415 1.223 -5.293 1.00 0.00 C ATOM 643 O VAL A 41 0.945 2.350 -5.175 1.00 0.00 O ATOM 644 CB VAL A 41 2.452 0.651 -3.061 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.704 1.184 -3.733 1.00 0.00 C ATOM 646 CG2 VAL A 41 1.906 1.664 -2.065 1.00 0.00 C ATOM 0 H VAL A 41 2.271 -1.596 -4.282 1.00 0.00 H new ATOM 0 HA VAL A 41 0.381 0.438 -3.638 1.00 0.00 H new ATOM 0 HB VAL A 41 2.733 -0.258 -2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.447 1.432 -2.975 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.108 0.425 -4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.457 2.079 -4.305 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.682 1.919 -1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.594 2.564 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.051 1.236 -1.542 1.00 0.00 H new ATOM 656 N SER A 42 1.971 0.785 -6.438 1.00 0.00 N ATOM 657 CA SER A 42 2.054 1.659 -7.637 1.00 0.00 C ATOM 658 C SER A 42 3.374 1.449 -8.430 1.00 0.00 C ATOM 659 O SER A 42 3.408 0.593 -9.311 1.00 0.00 O ATOM 660 CB SER A 42 1.852 3.167 -7.302 1.00 0.00 C ATOM 661 OG SER A 42 2.660 3.991 -8.125 1.00 0.00 O ATOM 0 H SER A 42 2.364 -0.148 -6.564 1.00 0.00 H new ATOM 0 HA SER A 42 1.225 1.354 -8.276 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.803 3.434 -7.435 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.096 3.345 -6.255 1.00 0.00 H new ATOM 0 HG SER A 42 3.104 4.669 -7.574 1.00 0.00 H new ATOM 667 N ARG A 43 4.462 2.229 -8.157 1.00 0.00 N ATOM 668 CA ARG A 43 5.709 2.074 -8.904 1.00 0.00 C ATOM 669 C ARG A 43 5.467 2.150 -10.415 1.00 0.00 C ATOM 670 O ARG A 43 6.283 1.680 -11.205 1.00 0.00 O ATOM 671 CB ARG A 43 6.412 0.759 -8.521 1.00 0.00 C ATOM 672 CG ARG A 43 6.079 -0.439 -9.411 1.00 0.00 C ATOM 673 CD ARG A 43 7.241 -0.833 -10.321 1.00 0.00 C ATOM 674 NE ARG A 43 8.550 -0.614 -9.701 1.00 0.00 N ATOM 675 CZ ARG A 43 9.362 0.398 -10.009 1.00 0.00 C ATOM 676 NH1 ARG A 43 9.000 1.311 -10.903 1.00 0.00 N ATOM 677 NH2 ARG A 43 10.541 0.503 -9.410 1.00 0.00 N ATOM 0 H ARG A 43 4.484 2.952 -7.437 1.00 0.00 H new ATOM 0 HA ARG A 43 6.366 2.902 -8.636 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.490 0.921 -8.545 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.150 0.511 -7.492 1.00 0.00 H new ATOM 0 HG2 ARG A 43 5.808 -1.289 -8.784 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.208 -0.203 -10.022 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.144 -1.885 -10.591 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.182 -0.259 -11.246 1.00 0.00 H new ATOM 0 HE ARG A 43 8.859 -1.276 -8.990 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.092 1.243 -11.363 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.630 2.080 -11.130 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.824 -0.189 -8.716 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.165 1.276 -9.643 1.00 0.00 H new ATOM 784 N THR A 52 9.320 10.542 -7.572 1.00 0.00 N ATOM 785 CA THR A 52 7.909 10.154 -7.580 1.00 0.00 C ATOM 786 C THR A 52 7.398 9.852 -6.172 1.00 0.00 C ATOM 787 O THR A 52 6.452 10.482 -5.696 1.00 0.00 O ATOM 788 CB THR A 52 7.670 8.949 -8.505 1.00 0.00 C ATOM 789 OG1 THR A 52 8.871 8.556 -9.148 1.00 0.00 O ATOM 790 CG2 THR A 52 6.644 9.220 -9.592 1.00 0.00 C ATOM 0 HA THR A 52 7.346 11.004 -7.966 1.00 0.00 H new ATOM 0 HB THR A 52 7.294 8.161 -7.852 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.603 9.141 -8.861 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.523 8.329 -10.209 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.689 9.477 -9.135 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.983 10.049 -10.214 1.00 0.00 H new ATOM 798 N PHE A 53 8.018 8.884 -5.516 1.00 0.00 N ATOM 799 CA PHE A 53 7.624 8.488 -4.164 1.00 0.00 C ATOM 800 C PHE A 53 8.473 7.303 -3.675 1.00 0.00 C ATOM 801 O PHE A 53 7.945 6.217 -3.443 1.00 0.00 O ATOM 802 CB PHE A 53 6.136 8.109 -4.149 1.00 0.00 C ATOM 803 CG PHE A 53 5.721 7.251 -5.312 1.00 0.00 C ATOM 804 CD1 PHE A 53 5.949 5.884 -5.297 1.00 0.00 C ATOM 805 CD2 PHE A 53 5.105 7.811 -6.418 1.00 0.00 C ATOM 806 CE1 PHE A 53 5.571 5.092 -6.364 1.00 0.00 C ATOM 807 CE2 PHE A 53 4.723 7.025 -7.488 1.00 0.00 C ATOM 808 CZ PHE A 53 4.957 5.663 -7.461 1.00 0.00 C ATOM 0 H PHE A 53 8.801 8.353 -5.897 1.00 0.00 H new ATOM 0 HA PHE A 53 7.790 9.330 -3.492 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.914 7.581 -3.222 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.538 9.020 -4.149 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.428 5.432 -4.441 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.921 8.875 -6.445 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.755 4.028 -6.340 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.242 7.474 -8.344 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.660 5.046 -8.297 1.00 0.00 H new ATOM 818 N GLN A 54 9.790 7.506 -3.529 1.00 0.00 N ATOM 819 CA GLN A 54 10.692 6.440 -3.085 1.00 0.00 C ATOM 820 C GLN A 54 10.081 5.594 -1.959 1.00 0.00 C ATOM 821 O GLN A 54 9.770 6.113 -0.888 1.00 0.00 O ATOM 822 CB GLN A 54 12.018 7.044 -2.621 1.00 0.00 C ATOM 823 CG GLN A 54 13.169 6.052 -2.583 1.00 0.00 C ATOM 824 CD GLN A 54 14.318 6.529 -1.716 1.00 0.00 C ATOM 825 OE1 GLN A 54 14.182 6.659 -0.501 1.00 0.00 O ATOM 826 NE2 GLN A 54 15.460 6.793 -2.342 1.00 0.00 N ATOM 0 H GLN A 54 10.251 8.397 -3.712 1.00 0.00 H new ATOM 0 HA GLN A 54 10.862 5.778 -3.935 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.283 7.867 -3.285 1.00 0.00 H new ATOM 0 HB3 GLN A 54 11.884 7.468 -1.626 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.807 5.095 -2.207 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.530 5.880 -3.597 1.00 0.00 H new ATOM 0 HE21 GLN A 54 15.528 6.671 -3.352 1.00 0.00 H new ATOM 0 HE22 GLN A 54 16.269 7.118 -1.812 1.00 0.00 H new ATOM 835 N PRO A 55 9.892 4.275 -2.188 1.00 0.00 N ATOM 836 CA PRO A 55 9.309 3.369 -1.187 1.00 0.00 C ATOM 837 C PRO A 55 10.221 3.141 0.013 1.00 0.00 C ATOM 838 O PRO A 55 9.756 3.114 1.152 1.00 0.00 O ATOM 839 CB PRO A 55 9.105 2.050 -1.947 1.00 0.00 C ATOM 840 CG PRO A 55 9.276 2.388 -3.389 1.00 0.00 C ATOM 841 CD PRO A 55 10.216 3.559 -3.430 1.00 0.00 C ATOM 0 HA PRO A 55 8.391 3.787 -0.773 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.830 1.300 -1.632 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.115 1.637 -1.756 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.682 1.542 -3.943 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.319 2.639 -3.847 1.00 0.00 H new ATOM 0 HD2 PRO A 55 11.258 3.241 -3.454 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.051 4.180 -4.311 1.00 0.00 H new ATOM 849 N THR A 56 11.517 2.969 -0.246 1.00 0.00 N ATOM 850 CA THR A 56 12.491 2.736 0.820 1.00 0.00 C ATOM 851 C THR A 56 12.211 3.641 2.032 1.00 0.00 C ATOM 852 O THR A 56 12.233 3.170 3.170 1.00 0.00 O ATOM 853 CB THR A 56 13.913 2.984 0.306 1.00 0.00 C ATOM 854 OG1 THR A 56 13.931 4.047 -0.627 1.00 0.00 O ATOM 855 CG2 THR A 56 14.528 1.775 -0.363 1.00 0.00 C ATOM 0 H THR A 56 11.917 2.987 -1.184 1.00 0.00 H new ATOM 0 HA THR A 56 12.399 1.697 1.136 1.00 0.00 H new ATOM 0 HB THR A 56 14.501 3.226 1.191 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.919 4.902 -0.149 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.534 2.020 -0.703 1.00 0.00 H new ATOM 0 HG22 THR A 56 14.576 0.951 0.348 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.918 1.482 -1.217 1.00 0.00 H new ATOM 863 N THR A 57 11.942 4.950 1.801 1.00 0.00 N ATOM 864 CA THR A 57 11.663 5.865 2.901 1.00 0.00 C ATOM 865 C THR A 57 10.639 5.273 3.867 1.00 0.00 C ATOM 866 O THR A 57 10.671 5.555 5.064 1.00 0.00 O ATOM 867 CB THR A 57 11.155 7.204 2.363 1.00 0.00 C ATOM 868 OG1 THR A 57 10.997 8.140 3.416 1.00 0.00 O ATOM 869 CG2 THR A 57 9.827 7.096 1.645 1.00 0.00 C ATOM 0 H THR A 57 11.916 5.376 0.875 1.00 0.00 H new ATOM 0 HA THR A 57 12.594 6.026 3.445 1.00 0.00 H new ATOM 0 HB THR A 57 11.911 7.533 1.650 1.00 0.00 H new ATOM 0 HG1 THR A 57 10.673 8.990 3.052 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.525 8.081 1.289 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.926 6.418 0.797 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.073 6.711 2.331 1.00 0.00 H new ATOM 877 N GLY A 58 9.733 4.452 3.342 1.00 0.00 N ATOM 878 CA GLY A 58 8.722 3.843 4.185 1.00 0.00 C ATOM 879 C GLY A 58 7.308 3.955 3.611 1.00 0.00 C ATOM 880 O GLY A 58 6.501 4.721 4.140 1.00 0.00 O ATOM 0 H GLY A 58 9.682 4.200 2.355 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.966 2.790 4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.746 4.314 5.168 1.00 0.00 H new ATOM 884 N HIS A 59 6.977 3.208 2.542 1.00 0.00 N ATOM 885 CA HIS A 59 5.635 3.288 1.974 1.00 0.00 C ATOM 886 C HIS A 59 4.667 2.438 2.794 1.00 0.00 C ATOM 887 O HIS A 59 5.038 1.401 3.344 1.00 0.00 O ATOM 888 CB HIS A 59 5.619 2.854 0.502 1.00 0.00 C ATOM 889 CG HIS A 59 5.469 3.998 -0.455 1.00 0.00 C ATOM 890 ND1 HIS A 59 6.139 5.194 -0.300 1.00 0.00 N ATOM 891 CD2 HIS A 59 4.719 4.135 -1.585 1.00 0.00 C ATOM 892 CE1 HIS A 59 5.812 6.014 -1.283 1.00 0.00 C ATOM 893 NE2 HIS A 59 4.955 5.394 -2.074 1.00 0.00 N ATOM 0 H HIS A 59 7.608 2.560 2.070 1.00 0.00 H new ATOM 0 HA HIS A 59 5.315 4.329 2.012 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.543 2.322 0.278 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.801 2.151 0.347 1.00 0.00 H new ATOM 0 HD1 HIS A 59 6.787 5.412 0.457 1.00 0.00 H new ATOM 0 HD2 HIS A 59 4.063 3.392 -2.014 1.00 0.00 H new ATOM 0 HE1 HIS A 59 6.182 7.020 -1.417 1.00 0.00 H new ATOM 902 N ARG A 60 3.437 2.915 2.890 1.00 0.00 N ATOM 903 CA ARG A 60 2.391 2.256 3.664 1.00 0.00 C ATOM 904 C ARG A 60 1.126 2.075 2.768 1.00 0.00 C ATOM 905 O ARG A 60 1.087 2.620 1.663 1.00 0.00 O ATOM 906 CB ARG A 60 2.151 3.105 4.927 1.00 0.00 C ATOM 907 CG ARG A 60 1.919 4.580 4.634 1.00 0.00 C ATOM 908 CD ARG A 60 2.481 5.464 5.737 1.00 0.00 C ATOM 909 NE ARG A 60 1.564 5.591 6.869 1.00 0.00 N ATOM 910 CZ ARG A 60 1.614 4.828 7.963 1.00 0.00 C ATOM 911 NH1 ARG A 60 2.531 3.875 8.082 1.00 0.00 N ATOM 912 NH2 ARG A 60 0.744 5.023 8.944 1.00 0.00 N ATOM 0 H ARG A 60 3.132 3.774 2.432 1.00 0.00 H new ATOM 0 HA ARG A 60 2.673 1.253 3.986 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.288 2.709 5.462 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.010 3.006 5.590 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.386 4.841 3.684 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.851 4.767 4.526 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.428 5.050 6.084 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.695 6.453 5.333 1.00 0.00 H new ATOM 0 HE ARG A 60 0.840 6.308 6.819 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.206 3.720 7.333 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.560 3.298 8.922 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.038 5.755 8.862 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.780 4.441 9.781 1.00 0.00 H new ATOM 926 N LEU A 61 0.131 1.269 3.192 1.00 0.00 N ATOM 927 CA LEU A 61 -1.066 0.986 2.359 1.00 0.00 C ATOM 928 C LEU A 61 -2.388 1.482 3.028 1.00 0.00 C ATOM 929 O LEU A 61 -2.381 1.757 4.223 1.00 0.00 O ATOM 930 CB LEU A 61 -1.150 -0.517 2.065 1.00 0.00 C ATOM 931 CG LEU A 61 -0.331 -1.010 0.857 1.00 0.00 C ATOM 932 CD1 LEU A 61 -1.156 -1.040 -0.413 1.00 0.00 C ATOM 933 CD2 LEU A 61 0.880 -0.140 0.639 1.00 0.00 C ATOM 0 H LEU A 61 0.128 0.803 4.099 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.955 1.538 1.426 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.820 -1.060 2.950 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.196 -0.778 1.902 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.015 -2.027 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.539 -1.394 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.004 -1.712 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.519 -0.036 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.442 -0.508 -0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.562 0.886 0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.513 -0.168 1.526 1.00 0.00 H new ATOM 945 N CYS A 62 -3.516 1.669 2.268 1.00 0.00 N ATOM 946 CA CYS A 62 -4.746 2.207 2.878 1.00 0.00 C ATOM 947 C CYS A 62 -5.848 1.134 3.173 1.00 0.00 C ATOM 948 O CYS A 62 -5.800 0.005 2.709 1.00 0.00 O ATOM 949 CB CYS A 62 -5.203 3.483 2.075 1.00 0.00 C ATOM 950 SG CYS A 62 -5.933 3.293 0.432 1.00 0.00 S ATOM 0 H CYS A 62 -3.585 1.460 1.272 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.526 2.538 3.893 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -5.926 4.015 2.693 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.333 4.132 1.972 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.649 4.335 -0.292 1.00 0.00 H new ATOM 955 N SER A 63 -6.752 1.499 4.093 1.00 0.00 N ATOM 956 CA SER A 63 -7.821 0.675 4.657 1.00 0.00 C ATOM 957 C SER A 63 -8.498 -0.405 3.781 1.00 0.00 C ATOM 958 O SER A 63 -8.230 -1.599 3.897 1.00 0.00 O ATOM 959 CB SER A 63 -8.905 1.654 5.149 1.00 0.00 C ATOM 960 OG SER A 63 -9.049 1.600 6.558 1.00 0.00 O ATOM 0 H SER A 63 -6.753 2.440 4.486 1.00 0.00 H new ATOM 0 HA SER A 63 -7.327 0.072 5.419 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.645 2.669 4.847 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.857 1.414 4.675 1.00 0.00 H new ATOM 0 HG SER A 63 -9.742 2.233 6.840 1.00 0.00 H new ATOM 966 N VAL A 64 -9.490 0.065 3.053 1.00 0.00 N ATOM 967 CA VAL A 64 -10.444 -0.736 2.254 1.00 0.00 C ATOM 968 C VAL A 64 -9.914 -1.747 1.226 1.00 0.00 C ATOM 969 O VAL A 64 -10.573 -1.989 0.215 1.00 0.00 O ATOM 970 CB VAL A 64 -11.390 0.238 1.553 1.00 0.00 C ATOM 971 CG1 VAL A 64 -12.247 0.967 2.577 1.00 0.00 C ATOM 972 CG2 VAL A 64 -10.579 1.233 0.761 1.00 0.00 C ATOM 0 H VAL A 64 -9.677 1.066 2.988 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.909 -1.389 2.992 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.046 -0.316 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.917 1.658 2.065 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.835 0.243 3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.604 1.523 3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.249 1.931 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.920 1.783 1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.981 0.706 0.018 1.00 0.00 H new ATOM 982 N HIS A 65 -8.775 -2.358 1.470 1.00 0.00 N ATOM 983 CA HIS A 65 -8.244 -3.373 0.517 1.00 0.00 C ATOM 984 C HIS A 65 -8.524 -4.821 0.937 1.00 0.00 C ATOM 985 O HIS A 65 -9.074 -5.587 0.150 1.00 0.00 O ATOM 986 CB HIS A 65 -6.751 -3.233 0.314 1.00 0.00 C ATOM 987 CG HIS A 65 -6.290 -1.848 0.378 1.00 0.00 C ATOM 988 ND1 HIS A 65 -7.137 -0.779 0.348 1.00 0.00 N ATOM 989 CD2 HIS A 65 -5.070 -1.369 0.574 1.00 0.00 C ATOM 990 CE1 HIS A 65 -6.451 0.313 0.539 1.00 0.00 C ATOM 991 NE2 HIS A 65 -5.179 -0.016 0.690 1.00 0.00 N ATOM 0 H HIS A 65 -8.194 -2.193 2.292 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.777 -3.170 -0.412 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -6.231 -3.818 1.073 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.481 -3.655 -0.654 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.145 -0.826 0.200 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.158 -1.945 0.631 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.853 1.315 0.569 1.00 0.00 H new ATOM 999 N PHE A 66 -8.123 -5.221 2.153 1.00 0.00 N ATOM 1000 CA PHE A 66 -8.320 -6.585 2.585 1.00 0.00 C ATOM 1001 C PHE A 66 -9.818 -6.853 2.759 1.00 0.00 C ATOM 1002 O PHE A 66 -10.607 -5.907 2.755 1.00 0.00 O ATOM 1003 CB PHE A 66 -7.561 -6.835 3.900 1.00 0.00 C ATOM 1004 CG PHE A 66 -6.242 -6.104 3.999 1.00 0.00 C ATOM 1005 CD1 PHE A 66 -6.183 -4.775 4.401 1.00 0.00 C ATOM 1006 CD2 PHE A 66 -5.056 -6.752 3.688 1.00 0.00 C ATOM 1007 CE1 PHE A 66 -4.972 -4.111 4.483 1.00 0.00 C ATOM 1008 CE2 PHE A 66 -3.845 -6.096 3.774 1.00 0.00 C ATOM 1009 CZ PHE A 66 -3.800 -4.772 4.171 1.00 0.00 C ATOM 0 H PHE A 66 -7.667 -4.617 2.837 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.928 -7.268 1.832 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.194 -6.535 4.735 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.380 -7.905 4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.095 -4.254 4.653 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.081 -7.785 3.374 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.943 -3.076 4.791 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.931 -6.617 3.531 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.853 -4.257 4.237 1.00 0.00 H new ATOM 1019 N GLN A 67 -10.232 -8.116 2.934 1.00 0.00 N ATOM 1020 CA GLN A 67 -11.638 -8.400 3.127 1.00 0.00 C ATOM 1021 C GLN A 67 -11.859 -8.601 4.647 1.00 0.00 C ATOM 1022 O GLN A 67 -10.932 -9.078 5.304 1.00 0.00 O ATOM 1023 CB GLN A 67 -12.066 -9.657 2.352 1.00 0.00 C ATOM 1024 CG GLN A 67 -10.954 -10.304 1.535 1.00 0.00 C ATOM 1025 CD GLN A 67 -10.370 -9.366 0.496 1.00 0.00 C ATOM 1026 OE1 GLN A 67 -11.057 -8.947 -0.436 1.00 0.00 O ATOM 1027 NE2 GLN A 67 -9.093 -9.032 0.650 1.00 0.00 N ATOM 0 H GLN A 67 -9.620 -8.932 2.944 1.00 0.00 H new ATOM 0 HA GLN A 67 -12.242 -7.575 2.749 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.454 -10.390 3.059 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -12.886 -9.395 1.683 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.161 -10.635 2.206 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.343 -11.193 1.038 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.560 -9.402 1.437 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.646 -8.405 -0.019 1.00 0.00 H new ATOM 1036 N GLY A 68 -13.025 -8.263 5.246 1.00 0.00 N ATOM 1037 CA GLY A 68 -13.163 -8.469 6.681 1.00 0.00 C ATOM 1038 C GLY A 68 -11.988 -7.869 7.459 1.00 0.00 C ATOM 1039 O GLY A 68 -11.136 -7.206 6.869 1.00 0.00 O ATOM 0 H GLY A 68 -13.838 -7.867 4.775 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -14.094 -8.018 7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.230 -9.537 6.890 1.00 0.00 H new ATOM 1043 N GLY A 69 -11.932 -8.090 8.777 1.00 0.00 N ATOM 1044 CA GLY A 69 -10.838 -7.544 9.564 1.00 0.00 C ATOM 1045 C GLY A 69 -9.834 -8.602 9.994 1.00 0.00 C ATOM 1046 O GLY A 69 -10.212 -9.586 10.630 1.00 0.00 O ATOM 0 H GLY A 69 -12.617 -8.631 9.305 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.325 -6.778 8.982 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.243 -7.053 10.449 1.00 0.00 H new ATOM 1050 N ARG A 70 -8.556 -8.387 9.643 1.00 0.00 N ATOM 1051 CA ARG A 70 -7.452 -9.304 9.980 1.00 0.00 C ATOM 1052 C ARG A 70 -6.603 -9.589 8.747 1.00 0.00 C ATOM 1053 O ARG A 70 -5.394 -9.800 8.846 1.00 0.00 O ATOM 1054 CB ARG A 70 -7.957 -10.630 10.573 1.00 0.00 C ATOM 1055 CG ARG A 70 -6.855 -11.642 10.857 1.00 0.00 C ATOM 1056 CD ARG A 70 -6.437 -11.614 12.317 1.00 0.00 C ATOM 1057 NE ARG A 70 -5.034 -11.982 12.492 1.00 0.00 N ATOM 1058 CZ ARG A 70 -4.558 -13.207 12.285 1.00 0.00 C ATOM 1059 NH1 ARG A 70 -5.368 -14.186 11.902 1.00 0.00 N ATOM 1060 NH2 ARG A 70 -3.267 -13.453 12.460 1.00 0.00 N ATOM 0 H ARG A 70 -8.257 -7.568 9.114 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.847 -8.807 10.738 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.492 -10.421 11.500 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.675 -11.074 9.884 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.202 -12.642 10.596 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.992 -11.429 10.226 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.603 -10.616 12.723 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -7.065 -12.298 12.887 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.381 -11.257 12.790 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.362 -14.001 11.765 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.997 -15.123 11.745 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.640 -12.704 12.753 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.901 -14.392 12.302 1.00 0.00 H new ATOM 1074 N LYS A 71 -7.244 -9.600 7.584 1.00 0.00 N ATOM 1075 CA LYS A 71 -6.553 -9.864 6.329 1.00 0.00 C ATOM 1076 C LYS A 71 -6.101 -11.324 6.264 1.00 0.00 C ATOM 1077 O LYS A 71 -5.027 -11.680 6.743 1.00 0.00 O ATOM 1078 CB LYS A 71 -5.370 -8.886 6.150 1.00 0.00 C ATOM 1079 CG LYS A 71 -3.981 -9.512 6.236 1.00 0.00 C ATOM 1080 CD LYS A 71 -2.878 -8.470 6.102 1.00 0.00 C ATOM 1081 CE LYS A 71 -2.958 -7.429 7.208 1.00 0.00 C ATOM 1082 NZ LYS A 71 -3.209 -6.065 6.674 1.00 0.00 N ATOM 0 H LYS A 71 -8.245 -9.428 7.485 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.243 -9.699 5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -5.469 -8.397 5.181 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.446 -8.108 6.910 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.876 -10.032 7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.871 -10.260 5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.906 -8.962 6.133 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.956 -7.979 5.132 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.754 -7.698 7.902 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.027 -7.430 7.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.588 -5.384 7.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.013 -6.050 5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.202 -5.805 6.839 1.00 0.00 H new ATOM 1096 N THR A 72 -6.938 -12.172 5.676 1.00 0.00 N ATOM 1097 CA THR A 72 -6.623 -13.594 5.555 1.00 0.00 C ATOM 1098 C THR A 72 -7.787 -14.371 4.946 1.00 0.00 C ATOM 1099 O THR A 72 -8.752 -13.781 4.461 1.00 0.00 O ATOM 1100 CB THR A 72 -6.256 -14.182 6.920 1.00 0.00 C ATOM 1101 OG1 THR A 72 -6.841 -13.428 7.970 1.00 0.00 O ATOM 1102 CG2 THR A 72 -4.762 -14.232 7.148 1.00 0.00 C ATOM 0 H THR A 72 -7.837 -11.902 5.277 1.00 0.00 H new ATOM 0 HA THR A 72 -5.766 -13.687 4.887 1.00 0.00 H new ATOM 0 HB THR A 72 -6.644 -15.201 6.921 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.595 -13.822 8.833 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.558 -14.657 8.131 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.297 -14.851 6.381 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.352 -13.223 7.097 1.00 0.00 H new ATOM 1110 N TYR A 73 -7.672 -15.700 4.969 1.00 0.00 N ATOM 1111 CA TYR A 73 -8.696 -16.588 4.418 1.00 0.00 C ATOM 1112 C TYR A 73 -8.517 -16.766 2.910 1.00 0.00 C ATOM 1113 O TYR A 73 -9.142 -17.639 2.307 1.00 0.00 O ATOM 1114 CB TYR A 73 -10.107 -16.067 4.724 1.00 0.00 C ATOM 1115 CG TYR A 73 -11.027 -17.113 5.314 1.00 0.00 C ATOM 1116 CD1 TYR A 73 -11.017 -17.381 6.677 1.00 0.00 C ATOM 1117 CD2 TYR A 73 -11.905 -17.828 4.509 1.00 0.00 C ATOM 1118 CE1 TYR A 73 -11.856 -18.333 7.222 1.00 0.00 C ATOM 1119 CE2 TYR A 73 -12.747 -18.783 5.048 1.00 0.00 C ATOM 1120 CZ TYR A 73 -12.719 -19.032 6.404 1.00 0.00 C ATOM 1121 OH TYR A 73 -13.555 -19.981 6.944 1.00 0.00 O ATOM 0 H TYR A 73 -6.871 -16.189 5.368 1.00 0.00 H new ATOM 0 HA TYR A 73 -8.576 -17.559 4.898 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -10.033 -15.229 5.417 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.550 -15.683 3.805 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.342 -16.836 7.321 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -11.930 -17.635 3.447 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -11.836 -18.529 8.284 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -13.424 -19.332 4.410 1.00 0.00 H new ATOM 0 HH TYR A 73 -14.099 -20.380 6.233 1.00 0.00 H new ATOM 1131 N THR A 74 -7.665 -15.938 2.302 1.00 0.00 N ATOM 1132 CA THR A 74 -7.415 -16.014 0.864 1.00 0.00 C ATOM 1133 C THR A 74 -6.545 -14.858 0.388 1.00 0.00 C ATOM 1134 O THR A 74 -5.811 -14.985 -0.590 1.00 0.00 O ATOM 1135 CB THR A 74 -8.730 -15.983 0.073 1.00 0.00 C ATOM 1136 OG1 THR A 74 -9.829 -15.664 0.916 1.00 0.00 O ATOM 1137 CG2 THR A 74 -9.040 -17.289 -0.628 1.00 0.00 C ATOM 0 H THR A 74 -7.138 -15.209 2.783 1.00 0.00 H new ATOM 0 HA THR A 74 -6.897 -16.957 0.687 1.00 0.00 H new ATOM 0 HB THR A 74 -8.588 -15.211 -0.684 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.113 -16.467 1.401 1.00 0.00 H new ATOM 0 HG21 THR A 74 -9.983 -17.197 -1.168 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.241 -17.523 -1.331 1.00 0.00 H new ATOM 0 HG23 THR A 74 -9.120 -18.088 0.109 1.00 0.00 H new ATOM 1145 N VAL A 75 -6.675 -13.717 1.049 1.00 0.00 N ATOM 1146 CA VAL A 75 -5.944 -12.525 0.648 1.00 0.00 C ATOM 1147 C VAL A 75 -4.787 -12.179 1.591 1.00 0.00 C ATOM 1148 O VAL A 75 -4.982 -12.072 2.802 1.00 0.00 O ATOM 1149 CB VAL A 75 -6.888 -11.305 0.572 1.00 0.00 C ATOM 1150 CG1 VAL A 75 -6.437 -10.366 -0.529 1.00 0.00 C ATOM 1151 CG2 VAL A 75 -8.325 -11.738 0.335 1.00 0.00 C ATOM 0 H VAL A 75 -7.278 -13.592 1.862 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.526 -12.754 -0.333 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.846 -10.783 1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.109 -9.509 -0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.424 -10.022 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.453 -10.891 -1.484 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.967 -10.858 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.389 -12.287 -0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.651 -12.380 1.153 1.00 0.00 H new ATOM 1161 N ARG A 76 -3.583 -11.975 1.033 1.00 0.00 N ATOM 1162 CA ARG A 76 -2.428 -11.610 1.849 1.00 0.00 C ATOM 1163 C ARG A 76 -1.799 -10.288 1.380 1.00 0.00 C ATOM 1164 O ARG A 76 -1.284 -9.521 2.195 1.00 0.00 O ATOM 1165 CB ARG A 76 -1.381 -12.730 1.864 1.00 0.00 C ATOM 1166 CG ARG A 76 -1.010 -13.268 0.487 1.00 0.00 C ATOM 1167 CD ARG A 76 0.484 -13.136 0.189 1.00 0.00 C ATOM 1168 NE ARG A 76 1.135 -12.092 0.988 1.00 0.00 N ATOM 1169 CZ ARG A 76 1.663 -12.296 2.195 1.00 0.00 C ATOM 1170 NH1 ARG A 76 1.652 -13.506 2.740 1.00 0.00 N ATOM 1171 NH2 ARG A 76 2.195 -11.281 2.864 1.00 0.00 N ATOM 0 H ARG A 76 -3.391 -12.056 0.035 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.787 -11.466 2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.479 -12.360 2.351 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.756 -13.553 2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.299 -14.317 0.420 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.578 -12.732 -0.274 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.973 -14.091 0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 76 0.620 -12.914 -0.870 1.00 0.00 H new ATOM 0 HE ARG A 76 1.187 -11.152 0.596 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.237 -14.289 2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.058 -13.653 3.664 1.00 0.00 H new ATOM 0 HH21 ARG A 76 2.199 -10.347 2.455 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.599 -11.435 3.788 1.00 0.00 H new ATOM 1185 N VAL A 77 -1.851 -10.015 0.073 1.00 0.00 N ATOM 1186 CA VAL A 77 -1.298 -8.782 -0.480 1.00 0.00 C ATOM 1187 C VAL A 77 -2.441 -7.815 -0.840 1.00 0.00 C ATOM 1188 O VAL A 77 -3.372 -8.197 -1.546 1.00 0.00 O ATOM 1189 CB VAL A 77 -0.427 -9.083 -1.747 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -0.027 -10.550 -1.803 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -1.153 -8.700 -3.025 1.00 0.00 C ATOM 0 H VAL A 77 -2.272 -10.634 -0.620 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.658 -8.319 0.272 1.00 0.00 H new ATOM 0 HB VAL A 77 0.474 -8.475 -1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.577 -10.729 -2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.552 -10.803 -0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.923 -11.170 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.520 -8.922 -3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.080 -9.268 -3.101 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.381 -7.634 -3.009 1.00 0.00 H new ATOM 1201 N PRO A 78 -2.404 -6.557 -0.343 1.00 0.00 N ATOM 1202 CA PRO A 78 -3.452 -5.547 -0.604 1.00 0.00 C ATOM 1203 C PRO A 78 -3.746 -5.220 -2.031 1.00 0.00 C ATOM 1204 O PRO A 78 -4.062 -4.058 -2.301 1.00 0.00 O ATOM 1205 CB PRO A 78 -2.875 -4.289 0.036 1.00 0.00 C ATOM 1206 CG PRO A 78 -2.070 -4.812 1.155 1.00 0.00 C ATOM 1207 CD PRO A 78 -1.368 -5.993 0.556 1.00 0.00 C ATOM 0 HA PRO A 78 -4.398 -5.931 -0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.264 -3.724 -0.668 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.661 -3.619 0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.363 -4.069 1.523 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.696 -5.102 1.999 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.472 -5.699 0.009 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.056 -6.709 1.316 1.00 0.00 H new ATOM 1215 N THR A 79 -3.746 -6.156 -2.965 1.00 0.00 N ATOM 1216 CA THR A 79 -4.133 -5.683 -4.253 1.00 0.00 C ATOM 1217 C THR A 79 -5.570 -6.091 -4.519 1.00 0.00 C ATOM 1218 O THR A 79 -5.873 -7.244 -4.831 1.00 0.00 O ATOM 1219 CB THR A 79 -3.215 -6.269 -5.329 1.00 0.00 C ATOM 1220 OG1 THR A 79 -1.954 -6.606 -4.785 1.00 0.00 O ATOM 1221 CG2 THR A 79 -2.972 -5.330 -6.489 1.00 0.00 C ATOM 0 H THR A 79 -3.508 -7.143 -2.866 1.00 0.00 H new ATOM 0 HA THR A 79 -4.049 -4.597 -4.281 1.00 0.00 H new ATOM 0 HB THR A 79 -3.737 -7.152 -5.698 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.384 -6.980 -5.489 1.00 0.00 H new ATOM 0 HG21 THR A 79 -2.314 -5.809 -7.213 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.922 -5.088 -6.966 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.505 -4.415 -6.125 1.00 0.00 H new ATOM 1229 N ILE A 80 -6.423 -5.080 -4.498 1.00 0.00 N ATOM 1230 CA ILE A 80 -7.829 -5.214 -4.844 1.00 0.00 C ATOM 1231 C ILE A 80 -8.111 -4.172 -5.925 1.00 0.00 C ATOM 1232 O ILE A 80 -8.348 -3.021 -5.589 1.00 0.00 O ATOM 1233 CB ILE A 80 -8.737 -5.029 -3.576 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -9.460 -6.338 -3.221 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -9.757 -3.903 -3.736 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -8.834 -7.091 -2.065 1.00 0.00 C ATOM 0 H ILE A 80 -6.155 -4.131 -4.237 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.057 -6.211 -5.221 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.068 -4.751 -2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.498 -6.113 -2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.472 -6.984 -4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -10.356 -3.823 -2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.236 -2.962 -3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.409 -4.120 -4.582 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.401 -8.003 -1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.804 -7.349 -2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.846 -6.464 -1.173 1.00 0.00 H new ATOM 1248 N PHE A 81 -8.096 -4.526 -7.202 1.00 0.00 N ATOM 1249 CA PHE A 81 -8.347 -3.523 -8.242 1.00 0.00 C ATOM 1250 C PHE A 81 -8.645 -4.203 -9.574 1.00 0.00 C ATOM 1251 O PHE A 81 -9.631 -3.809 -10.230 1.00 0.00 O ATOM 1252 CB PHE A 81 -7.147 -2.537 -8.417 1.00 0.00 C ATOM 1253 CG PHE A 81 -6.279 -2.287 -7.187 1.00 0.00 C ATOM 1254 CD1 PHE A 81 -6.787 -1.652 -6.058 1.00 0.00 C ATOM 1255 CD2 PHE A 81 -4.948 -2.690 -7.163 1.00 0.00 C ATOM 1256 CE1 PHE A 81 -6.001 -1.441 -4.939 1.00 0.00 C ATOM 1257 CE2 PHE A 81 -4.156 -2.484 -6.037 1.00 0.00 C ATOM 1258 CZ PHE A 81 -4.689 -1.860 -4.920 1.00 0.00 C ATOM 1259 OXT PHE A 81 -7.888 -5.123 -9.949 1.00 0.00 O ATOM 0 H PHE A 81 -7.919 -5.471 -7.543 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.212 -2.943 -7.921 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.507 -2.918 -9.213 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.541 -1.579 -8.756 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.814 -1.318 -6.055 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.522 -3.170 -8.032 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.419 -0.945 -4.075 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.126 -2.810 -6.034 1.00 0.00 H new ATOM 0 HZ PHE A 81 -4.080 -1.704 -4.042 1.00 0.00 H new