USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 426 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 Single : A 4 ASN :FLIP amide:sc= 0.695 F(o=-0.074,f=0.69) USER MOD Single : A 5 MET CE :methyl 159:sc= -0.122 (180deg=-0.6) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= 0.934 K(o=0.93,f=-5.8!) USER MOD Single : A 13 TYR OH : rot -137:sc= 1.14 USER MOD Single : A 14 MET CE :methyl 162:sc= -0.132 (180deg=-0.563) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0827 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -71:sc= 1.17 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -136:sc= -0.96 (180deg=-2.34!) USER MOD Single : A 34 LYS NZ :NH3+ -139:sc= -0.49 (180deg=-0.726) USER MOD Single : A 35 CYS SG : rot -121:sc= 0.507 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -130:sc= -2.77! USER MOD Single : A 44 TYR OH : rot 180:sc= -0.414 USER MOD Single : A 45 ASN : amide:sc= -0.081 K(o=-0.081,f=-0.71) USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 53 SER OG : rot -91:sc= 1.16 USER MOD Single : A 54 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.47!) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -2.16! USER MOD ----------------------------------------------------------------- ATOM 38 N ASN A 4 -11.557 0.826 3.510 1.00 0.00 N ATOM 39 CA ASN A 4 -11.394 2.040 2.698 1.00 0.00 C ATOM 40 C ASN A 4 -10.538 3.061 3.437 1.00 0.00 C ATOM 41 O ASN A 4 -10.696 4.271 3.264 1.00 0.00 O ATOM 42 CB ASN A 4 -12.755 2.661 2.350 1.00 0.00 C ATOM 43 CG ASN A 4 -13.593 1.798 1.423 1.00 0.00 C ATOM 44 OD1 ASN A 4 -14.449 2.438 0.640 1.00 0.00 O flip ATOM 45 ND2 ASN A 4 -13.483 0.575 1.413 1.00 0.00 N flip ATOM 0 HA ASN A 4 -10.896 1.756 1.771 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -13.311 2.838 3.271 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -12.594 3.633 1.883 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -12.812 0.118 2.031 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -14.062 0.016 0.787 1.00 0.00 H new ATOM 52 N MET A 5 -9.618 2.557 4.244 1.00 0.00 N ATOM 53 CA MET A 5 -8.829 3.373 5.136 1.00 0.00 C ATOM 54 C MET A 5 -7.581 3.902 4.451 1.00 0.00 C ATOM 55 O MET A 5 -6.766 3.134 3.948 1.00 0.00 O ATOM 56 CB MET A 5 -8.437 2.548 6.355 1.00 0.00 C ATOM 57 CG MET A 5 -9.543 2.424 7.390 1.00 0.00 C ATOM 58 SD MET A 5 -9.008 1.567 8.887 1.00 0.00 S ATOM 59 CE MET A 5 -7.816 2.743 9.530 1.00 0.00 C ATOM 0 H MET A 5 -9.401 1.562 4.294 1.00 0.00 H new ATOM 0 HA MET A 5 -9.431 4.230 5.439 1.00 0.00 H new ATOM 0 HB2 MET A 5 -8.144 1.550 6.028 1.00 0.00 H new ATOM 0 HB3 MET A 5 -7.563 3.000 6.823 1.00 0.00 H new ATOM 0 HG2 MET A 5 -9.900 3.419 7.655 1.00 0.00 H new ATOM 0 HG3 MET A 5 -10.386 1.889 6.952 1.00 0.00 H new ATOM 0 HE1 MET A 5 -7.671 2.568 10.596 1.00 0.00 H new ATOM 0 HE2 MET A 5 -6.866 2.620 9.010 1.00 0.00 H new ATOM 0 HE3 MET A 5 -8.185 3.757 9.376 1.00 0.00 H new ATOM 69 N PRO A 6 -7.415 5.228 4.427 1.00 0.00 N ATOM 70 CA PRO A 6 -6.221 5.864 3.871 1.00 0.00 C ATOM 71 C PRO A 6 -4.994 5.607 4.739 1.00 0.00 C ATOM 72 O PRO A 6 -5.061 5.711 5.964 1.00 0.00 O ATOM 73 CB PRO A 6 -6.571 7.361 3.859 1.00 0.00 C ATOM 74 CG PRO A 6 -8.040 7.431 4.117 1.00 0.00 C ATOM 75 CD PRO A 6 -8.369 6.219 4.935 1.00 0.00 C ATOM 0 HA PRO A 6 -5.970 5.476 2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.012 7.900 4.624 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.319 7.815 2.901 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -8.300 8.345 4.650 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.601 7.436 3.183 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.237 6.401 6.002 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.401 5.900 4.791 1.00 0.00 H new ATOM 83 N ALA A 7 -3.881 5.268 4.105 1.00 0.00 N ATOM 84 CA ALA A 7 -2.657 4.957 4.823 1.00 0.00 C ATOM 85 C ALA A 7 -1.482 5.671 4.183 1.00 0.00 C ATOM 86 O ALA A 7 -1.373 5.728 2.959 1.00 0.00 O ATOM 87 CB ALA A 7 -2.411 3.457 4.854 1.00 0.00 C ATOM 0 H ALA A 7 -3.802 5.202 3.090 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.765 5.303 5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.489 3.251 5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.244 2.962 5.353 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.323 3.082 3.834 1.00 0.00 H new ATOM 93 N TYR A 8 -0.611 6.206 5.010 1.00 0.00 N ATOM 94 CA TYR A 8 0.527 6.964 4.533 1.00 0.00 C ATOM 95 C TYR A 8 1.732 6.045 4.351 1.00 0.00 C ATOM 96 O TYR A 8 2.024 5.220 5.214 1.00 0.00 O ATOM 97 CB TYR A 8 0.847 8.090 5.519 1.00 0.00 C ATOM 98 CG TYR A 8 -0.344 8.980 5.812 1.00 0.00 C ATOM 99 CD1 TYR A 8 -1.160 9.448 4.787 1.00 0.00 C ATOM 100 CD2 TYR A 8 -0.660 9.343 7.114 1.00 0.00 C ATOM 101 CE1 TYR A 8 -2.252 10.251 5.054 1.00 0.00 C ATOM 102 CE2 TYR A 8 -1.751 10.145 7.388 1.00 0.00 C ATOM 103 CZ TYR A 8 -2.542 10.597 6.354 1.00 0.00 C ATOM 104 OH TYR A 8 -3.634 11.395 6.621 1.00 0.00 O ATOM 0 H TYR A 8 -0.670 6.129 6.025 1.00 0.00 H new ATOM 0 HA TYR A 8 0.286 7.405 3.566 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.207 7.656 6.452 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.657 8.698 5.116 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.936 9.179 3.765 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -0.042 8.992 7.927 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.875 10.606 4.246 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.983 10.416 8.407 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.701 11.546 7.587 1.00 0.00 H new ATOM 114 N VAL A 9 2.415 6.184 3.225 1.00 0.00 N ATOM 115 CA VAL A 9 3.534 5.309 2.898 1.00 0.00 C ATOM 116 C VAL A 9 4.785 5.685 3.687 1.00 0.00 C ATOM 117 O VAL A 9 5.143 6.860 3.789 1.00 0.00 O ATOM 118 CB VAL A 9 3.861 5.340 1.392 1.00 0.00 C ATOM 119 CG1 VAL A 9 5.070 4.476 1.092 1.00 0.00 C ATOM 120 CG2 VAL A 9 2.672 4.881 0.564 1.00 0.00 C ATOM 0 H VAL A 9 2.215 6.894 2.521 1.00 0.00 H new ATOM 0 HA VAL A 9 3.226 4.300 3.172 1.00 0.00 H new ATOM 0 HB VAL A 9 4.089 6.371 1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.286 4.510 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.930 4.848 1.648 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.864 3.447 1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.931 4.913 -0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.407 3.861 0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.823 5.539 0.750 1.00 0.00 H new ATOM 130 N LYS A 10 5.443 4.668 4.233 1.00 0.00 N ATOM 131 CA LYS A 10 6.652 4.859 5.028 1.00 0.00 C ATOM 132 C LYS A 10 7.887 4.971 4.139 1.00 0.00 C ATOM 133 O LYS A 10 8.694 5.884 4.302 1.00 0.00 O ATOM 134 CB LYS A 10 6.854 3.692 5.999 1.00 0.00 C ATOM 135 CG LYS A 10 5.727 3.491 6.989 1.00 0.00 C ATOM 136 CD LYS A 10 6.098 2.427 8.008 1.00 0.00 C ATOM 137 CE LYS A 10 4.983 2.213 9.009 1.00 0.00 C ATOM 138 NZ LYS A 10 5.335 1.203 10.041 1.00 0.00 N ATOM 0 H LYS A 10 5.156 3.694 4.138 1.00 0.00 H new ATOM 0 HA LYS A 10 6.524 5.786 5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.981 2.776 5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.780 3.852 6.551 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.510 4.430 7.498 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.820 3.197 6.461 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.315 1.490 7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.008 2.722 8.531 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.749 3.160 9.496 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.083 1.893 8.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.541 1.092 10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.533 0.291 9.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.178 1.518 10.562 1.00 0.00 H new ATOM 152 N PHE A 11 8.038 4.027 3.210 1.00 0.00 N ATOM 153 CA PHE A 11 9.227 3.964 2.365 1.00 0.00 C ATOM 154 C PHE A 11 8.854 3.624 0.926 1.00 0.00 C ATOM 155 O PHE A 11 7.767 3.111 0.662 1.00 0.00 O ATOM 156 CB PHE A 11 10.214 2.920 2.898 1.00 0.00 C ATOM 157 CG PHE A 11 10.719 3.212 4.283 1.00 0.00 C ATOM 158 CD1 PHE A 11 11.689 4.179 4.488 1.00 0.00 C ATOM 159 CD2 PHE A 11 10.223 2.519 5.378 1.00 0.00 C ATOM 160 CE1 PHE A 11 12.155 4.452 5.760 1.00 0.00 C ATOM 161 CE2 PHE A 11 10.685 2.788 6.650 1.00 0.00 C ATOM 162 CZ PHE A 11 11.652 3.755 6.842 1.00 0.00 C ATOM 0 H PHE A 11 7.351 3.296 3.025 1.00 0.00 H new ATOM 0 HA PHE A 11 9.700 4.946 2.384 1.00 0.00 H new ATOM 0 HB2 PHE A 11 9.731 1.943 2.896 1.00 0.00 H new ATOM 0 HB3 PHE A 11 11.063 2.857 2.218 1.00 0.00 H new ATOM 0 HD1 PHE A 11 12.085 4.725 3.645 1.00 0.00 H new ATOM 0 HD2 PHE A 11 9.467 1.761 5.233 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.911 5.209 5.908 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.291 2.243 7.495 1.00 0.00 H new ATOM 0 HZ PHE A 11 12.015 3.966 7.837 1.00 0.00 H new ATOM 172 N ASN A 12 9.770 3.894 0.005 1.00 0.00 N ATOM 173 CA ASN A 12 9.524 3.684 -1.420 1.00 0.00 C ATOM 174 C ASN A 12 9.555 2.204 -1.778 1.00 0.00 C ATOM 175 O ASN A 12 10.560 1.523 -1.573 1.00 0.00 O ATOM 176 CB ASN A 12 10.557 4.440 -2.262 1.00 0.00 C ATOM 177 CG ASN A 12 10.382 5.944 -2.199 1.00 0.00 C ATOM 178 OD1 ASN A 12 9.875 6.485 -1.220 1.00 0.00 O ATOM 179 ND2 ASN A 12 10.810 6.635 -3.243 1.00 0.00 N ATOM 0 H ASN A 12 10.697 4.262 0.219 1.00 0.00 H new ATOM 0 HA ASN A 12 8.529 4.070 -1.640 1.00 0.00 H new ATOM 0 HB2 ASN A 12 11.558 4.181 -1.918 1.00 0.00 H new ATOM 0 HB3 ASN A 12 10.482 4.114 -3.299 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.724 7.651 -3.252 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.226 6.151 -4.039 1.00 0.00 H new ATOM 186 N TYR A 13 8.454 1.720 -2.327 1.00 0.00 N ATOM 187 CA TYR A 13 8.344 0.332 -2.739 1.00 0.00 C ATOM 188 C TYR A 13 8.114 0.252 -4.240 1.00 0.00 C ATOM 189 O TYR A 13 7.157 0.823 -4.761 1.00 0.00 O ATOM 190 CB TYR A 13 7.198 -0.357 -1.995 1.00 0.00 C ATOM 191 CG TYR A 13 7.006 -1.810 -2.379 1.00 0.00 C ATOM 192 CD1 TYR A 13 7.898 -2.783 -1.948 1.00 0.00 C ATOM 193 CD2 TYR A 13 5.929 -2.209 -3.166 1.00 0.00 C ATOM 194 CE1 TYR A 13 7.726 -4.109 -2.288 1.00 0.00 C ATOM 195 CE2 TYR A 13 5.752 -3.536 -3.512 1.00 0.00 C ATOM 196 CZ TYR A 13 6.652 -4.483 -3.070 1.00 0.00 C ATOM 197 OH TYR A 13 6.477 -5.808 -3.402 1.00 0.00 O ATOM 0 H TYR A 13 7.616 2.275 -2.499 1.00 0.00 H new ATOM 0 HA TYR A 13 9.275 -0.179 -2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.385 -0.296 -0.923 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.273 0.186 -2.189 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.741 -2.497 -1.336 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.221 -1.471 -3.512 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.430 -4.852 -1.943 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.913 -3.830 -4.125 1.00 0.00 H new ATOM 0 HH TYR A 13 6.223 -5.878 -4.346 1.00 0.00 H new ATOM 207 N MET A 14 8.995 -0.452 -4.930 1.00 0.00 N ATOM 208 CA MET A 14 8.891 -0.592 -6.371 1.00 0.00 C ATOM 209 C MET A 14 8.127 -1.858 -6.733 1.00 0.00 C ATOM 210 O MET A 14 8.510 -2.965 -6.352 1.00 0.00 O ATOM 211 CB MET A 14 10.284 -0.606 -7.006 1.00 0.00 C ATOM 212 CG MET A 14 10.265 -0.726 -8.524 1.00 0.00 C ATOM 213 SD MET A 14 11.914 -0.625 -9.250 1.00 0.00 S ATOM 214 CE MET A 14 12.724 -2.015 -8.460 1.00 0.00 C ATOM 0 H MET A 14 9.791 -0.936 -4.514 1.00 0.00 H new ATOM 0 HA MET A 14 8.340 0.263 -6.762 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.809 0.309 -6.729 1.00 0.00 H new ATOM 0 HB3 MET A 14 10.854 -1.438 -6.592 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.807 -1.674 -8.804 1.00 0.00 H new ATOM 0 HG3 MET A 14 9.640 0.065 -8.939 1.00 0.00 H new ATOM 0 HE1 MET A 14 13.619 -2.282 -9.022 1.00 0.00 H new ATOM 0 HE2 MET A 14 13.003 -1.743 -7.442 1.00 0.00 H new ATOM 0 HE3 MET A 14 12.044 -2.866 -8.435 1.00 0.00 H new ATOM 224 N ALA A 15 7.034 -1.681 -7.458 1.00 0.00 N ATOM 225 CA ALA A 15 6.207 -2.797 -7.885 1.00 0.00 C ATOM 226 C ALA A 15 6.606 -3.250 -9.286 1.00 0.00 C ATOM 227 O ALA A 15 7.163 -2.470 -10.064 1.00 0.00 O ATOM 228 CB ALA A 15 4.743 -2.393 -7.852 1.00 0.00 C ATOM 0 H ALA A 15 6.698 -0.768 -7.765 1.00 0.00 H new ATOM 0 HA ALA A 15 6.358 -3.633 -7.202 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.127 -3.233 -8.173 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.467 -2.107 -6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.583 -1.549 -8.523 1.00 0.00 H new ATOM 234 N GLU A 16 6.337 -4.510 -9.600 1.00 0.00 N ATOM 235 CA GLU A 16 6.635 -5.050 -10.917 1.00 0.00 C ATOM 236 C GLU A 16 5.411 -5.752 -11.496 1.00 0.00 C ATOM 237 O GLU A 16 5.052 -5.551 -12.659 1.00 0.00 O ATOM 238 CB GLU A 16 7.805 -6.037 -10.834 1.00 0.00 C ATOM 239 CG GLU A 16 8.196 -6.636 -12.177 1.00 0.00 C ATOM 240 CD GLU A 16 9.266 -7.700 -12.058 1.00 0.00 C ATOM 241 OE1 GLU A 16 10.451 -7.341 -11.899 1.00 0.00 O ATOM 242 OE2 GLU A 16 8.931 -8.900 -12.128 1.00 0.00 O ATOM 0 H GLU A 16 5.912 -5.178 -8.957 1.00 0.00 H new ATOM 0 HA GLU A 16 6.911 -4.223 -11.572 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.669 -5.527 -10.408 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.541 -6.843 -10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.313 -7.067 -12.648 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.552 -5.842 -12.834 1.00 0.00 H new ATOM 249 N ARG A 17 4.774 -6.571 -10.672 1.00 0.00 N ATOM 250 CA ARG A 17 3.633 -7.365 -11.101 1.00 0.00 C ATOM 251 C ARG A 17 2.403 -6.506 -11.341 1.00 0.00 C ATOM 252 O ARG A 17 2.297 -5.388 -10.839 1.00 0.00 O ATOM 253 CB ARG A 17 3.319 -8.449 -10.072 1.00 0.00 C ATOM 254 CG ARG A 17 4.304 -9.603 -10.098 1.00 0.00 C ATOM 255 CD ARG A 17 4.292 -10.297 -11.447 1.00 0.00 C ATOM 256 NE ARG A 17 5.134 -11.488 -11.461 1.00 0.00 N ATOM 257 CZ ARG A 17 4.658 -12.728 -11.520 1.00 0.00 C ATOM 258 NH1 ARG A 17 3.346 -12.938 -11.539 1.00 0.00 N ATOM 259 NH2 ARG A 17 5.491 -13.758 -11.561 1.00 0.00 N ATOM 0 H ARG A 17 5.031 -6.703 -9.694 1.00 0.00 H new ATOM 0 HA ARG A 17 3.903 -7.834 -12.047 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.316 -8.005 -9.076 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.315 -8.833 -10.253 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.307 -9.235 -9.883 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.053 -10.318 -9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.269 -10.574 -11.702 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.635 -9.603 -12.214 1.00 0.00 H new ATOM 0 HE ARG A 17 6.146 -11.362 -11.423 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.702 -12.147 -11.508 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.982 -13.890 -11.584 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.499 -13.600 -11.547 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.125 -14.709 -11.606 1.00 0.00 H new ATOM 273 N GLU A 18 1.472 -7.064 -12.099 1.00 0.00 N ATOM 274 CA GLU A 18 0.240 -6.386 -12.473 1.00 0.00 C ATOM 275 C GLU A 18 -0.660 -6.182 -11.255 1.00 0.00 C ATOM 276 O GLU A 18 -1.497 -5.282 -11.227 1.00 0.00 O ATOM 277 CB GLU A 18 -0.472 -7.230 -13.531 1.00 0.00 C ATOM 278 CG GLU A 18 -1.757 -6.635 -14.075 1.00 0.00 C ATOM 279 CD GLU A 18 -2.445 -7.579 -15.035 1.00 0.00 C ATOM 280 OE1 GLU A 18 -3.232 -8.430 -14.570 1.00 0.00 O ATOM 281 OE2 GLU A 18 -2.172 -7.505 -16.250 1.00 0.00 O ATOM 0 H GLU A 18 1.551 -8.009 -12.475 1.00 0.00 H new ATOM 0 HA GLU A 18 0.472 -5.400 -12.877 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.213 -7.395 -14.362 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.696 -8.207 -13.103 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.429 -6.402 -13.249 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.537 -5.696 -14.582 1.00 0.00 H new ATOM 288 N ASP A 19 -0.480 -7.033 -10.251 1.00 0.00 N ATOM 289 CA ASP A 19 -1.269 -6.950 -9.030 1.00 0.00 C ATOM 290 C ASP A 19 -0.456 -6.330 -7.900 1.00 0.00 C ATOM 291 O ASP A 19 -0.871 -6.345 -6.746 1.00 0.00 O ATOM 292 CB ASP A 19 -1.783 -8.335 -8.613 1.00 0.00 C ATOM 293 CG ASP A 19 -0.669 -9.325 -8.319 1.00 0.00 C ATOM 294 OD1 ASP A 19 -0.054 -9.836 -9.283 1.00 0.00 O ATOM 295 OD2 ASP A 19 -0.422 -9.620 -7.133 1.00 0.00 O ATOM 0 H ASP A 19 0.206 -7.788 -10.260 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.127 -6.310 -9.232 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.410 -8.231 -7.728 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.415 -8.735 -9.406 1.00 0.00 H new ATOM 300 N GLU A 20 0.700 -5.775 -8.239 1.00 0.00 N ATOM 301 CA GLU A 20 1.520 -5.079 -7.258 1.00 0.00 C ATOM 302 C GLU A 20 1.224 -3.588 -7.272 1.00 0.00 C ATOM 303 O GLU A 20 0.838 -3.030 -8.299 1.00 0.00 O ATOM 304 CB GLU A 20 3.006 -5.294 -7.511 1.00 0.00 C ATOM 305 CG GLU A 20 3.559 -6.569 -6.914 1.00 0.00 C ATOM 306 CD GLU A 20 5.068 -6.634 -7.023 1.00 0.00 C ATOM 307 OE1 GLU A 20 5.578 -6.880 -8.136 1.00 0.00 O ATOM 308 OE2 GLU A 20 5.753 -6.418 -6.001 1.00 0.00 O ATOM 0 H GLU A 20 1.089 -5.793 -9.182 1.00 0.00 H new ATOM 0 HA GLU A 20 1.270 -5.494 -6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.182 -5.304 -8.587 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.558 -4.447 -7.105 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.267 -6.636 -5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.121 -7.428 -7.422 1.00 0.00 H new ATOM 315 N LEU A 21 1.422 -2.949 -6.135 1.00 0.00 N ATOM 316 CA LEU A 21 1.155 -1.530 -6.001 1.00 0.00 C ATOM 317 C LEU A 21 2.402 -0.810 -5.477 1.00 0.00 C ATOM 318 O LEU A 21 2.893 -1.111 -4.388 1.00 0.00 O ATOM 319 CB LEU A 21 -0.047 -1.345 -5.063 1.00 0.00 C ATOM 320 CG LEU A 21 -0.706 0.041 -5.044 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.108 0.896 -3.950 1.00 0.00 C ATOM 322 CD2 LEU A 21 -0.555 0.737 -6.388 1.00 0.00 C ATOM 0 H LEU A 21 1.769 -3.394 -5.285 1.00 0.00 H new ATOM 0 HA LEU A 21 0.913 -1.093 -6.970 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.806 -2.078 -5.336 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.275 -1.582 -4.049 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.769 -0.097 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.587 1.875 -3.951 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.267 0.415 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.961 1.015 -4.125 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.031 1.717 -6.346 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.504 0.857 -6.618 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.029 0.136 -7.164 1.00 0.00 H new ATOM 334 N SER A 22 2.925 0.117 -6.278 1.00 0.00 N ATOM 335 CA SER A 22 4.124 0.868 -5.917 1.00 0.00 C ATOM 336 C SER A 22 3.820 1.930 -4.862 1.00 0.00 C ATOM 337 O SER A 22 2.754 2.547 -4.873 1.00 0.00 O ATOM 338 CB SER A 22 4.733 1.505 -7.170 1.00 0.00 C ATOM 339 OG SER A 22 3.731 1.807 -8.128 1.00 0.00 O ATOM 0 H SER A 22 2.534 0.366 -7.186 1.00 0.00 H new ATOM 0 HA SER A 22 4.846 0.176 -5.483 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.265 2.416 -6.896 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.466 0.827 -7.607 1.00 0.00 H new ATOM 0 HG SER A 22 4.145 2.214 -8.917 1.00 0.00 H new ATOM 345 N LEU A 23 4.764 2.136 -3.951 1.00 0.00 N ATOM 346 CA LEU A 23 4.567 3.050 -2.835 1.00 0.00 C ATOM 347 C LEU A 23 5.661 4.112 -2.799 1.00 0.00 C ATOM 348 O LEU A 23 6.809 3.840 -3.151 1.00 0.00 O ATOM 349 CB LEU A 23 4.559 2.277 -1.514 1.00 0.00 C ATOM 350 CG LEU A 23 3.494 1.187 -1.394 1.00 0.00 C ATOM 351 CD1 LEU A 23 3.548 0.543 -0.019 1.00 0.00 C ATOM 352 CD2 LEU A 23 2.110 1.758 -1.664 1.00 0.00 C ATOM 0 H LEU A 23 5.676 1.680 -3.965 1.00 0.00 H new ATOM 0 HA LEU A 23 3.606 3.545 -2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.539 1.820 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.420 2.987 -0.699 1.00 0.00 H new ATOM 0 HG LEU A 23 3.699 0.421 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.784 -0.231 0.051 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.531 0.097 0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.369 1.300 0.745 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.366 0.967 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.893 2.544 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.078 2.173 -2.671 1.00 0.00 H new ATOM 364 N ILE A 24 5.299 5.310 -2.356 1.00 0.00 N ATOM 365 CA ILE A 24 6.227 6.428 -2.273 1.00 0.00 C ATOM 366 C ILE A 24 6.203 7.019 -0.877 1.00 0.00 C ATOM 367 O ILE A 24 5.142 7.401 -0.385 1.00 0.00 O ATOM 368 CB ILE A 24 5.856 7.545 -3.268 1.00 0.00 C ATOM 369 CG1 ILE A 24 5.925 7.029 -4.706 1.00 0.00 C ATOM 370 CG2 ILE A 24 6.754 8.762 -3.068 1.00 0.00 C ATOM 371 CD1 ILE A 24 7.315 6.598 -5.141 1.00 0.00 C ATOM 0 H ILE A 24 4.354 5.532 -2.045 1.00 0.00 H new ATOM 0 HA ILE A 24 7.218 6.044 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 24 4.829 7.856 -3.076 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.244 6.184 -4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.571 7.810 -5.379 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.477 9.540 -3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.634 9.140 -2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.794 8.477 -3.229 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.281 6.245 -6.172 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.997 7.445 -5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.666 5.794 -4.494 1.00 0.00 H new ATOM 383 N LYS A 25 7.355 7.083 -0.238 1.00 0.00 N ATOM 384 CA LYS A 25 7.456 7.727 1.063 1.00 0.00 C ATOM 385 C LYS A 25 6.900 9.142 0.968 1.00 0.00 C ATOM 386 O LYS A 25 7.379 9.955 0.177 1.00 0.00 O ATOM 387 CB LYS A 25 8.915 7.773 1.526 1.00 0.00 C ATOM 388 CG LYS A 25 9.123 8.502 2.848 1.00 0.00 C ATOM 389 CD LYS A 25 10.590 8.553 3.235 1.00 0.00 C ATOM 390 CE LYS A 25 10.784 9.188 4.603 1.00 0.00 C ATOM 391 NZ LYS A 25 12.221 9.301 4.966 1.00 0.00 N ATOM 0 H LYS A 25 8.231 6.700 -0.593 1.00 0.00 H new ATOM 0 HA LYS A 25 6.880 7.153 1.789 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.287 6.753 1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.515 8.259 0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.732 9.516 2.770 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.556 8.001 3.633 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.001 7.544 3.240 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.145 9.120 2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.329 10.179 4.611 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.266 8.594 5.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.308 9.739 5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.650 8.354 4.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.711 9.890 4.263 1.00 0.00 H new ATOM 405 N GLY A 26 5.888 9.431 1.768 1.00 0.00 N ATOM 406 CA GLY A 26 5.279 10.742 1.722 1.00 0.00 C ATOM 407 C GLY A 26 3.868 10.720 1.165 1.00 0.00 C ATOM 408 O GLY A 26 3.085 11.638 1.418 1.00 0.00 O ATOM 0 H GLY A 26 5.479 8.786 2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.261 11.164 2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.895 11.402 1.111 1.00 0.00 H new ATOM 412 N THR A 27 3.536 9.677 0.413 1.00 0.00 N ATOM 413 CA THR A 27 2.234 9.599 -0.236 1.00 0.00 C ATOM 414 C THR A 27 1.234 8.820 0.612 1.00 0.00 C ATOM 415 O THR A 27 1.565 8.322 1.691 1.00 0.00 O ATOM 416 CB THR A 27 2.332 8.961 -1.640 1.00 0.00 C ATOM 417 OG1 THR A 27 2.835 7.623 -1.551 1.00 0.00 O ATOM 418 CG2 THR A 27 3.234 9.787 -2.543 1.00 0.00 C ATOM 0 H THR A 27 4.146 8.879 0.239 1.00 0.00 H new ATOM 0 HA THR A 27 1.879 10.624 -0.345 1.00 0.00 H new ATOM 0 HB THR A 27 1.330 8.936 -2.068 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.785 7.646 -1.311 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.290 9.321 -3.527 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.827 10.794 -2.641 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.233 9.840 -2.110 1.00 0.00 H new ATOM 426 N LYS A 28 0.015 8.722 0.109 1.00 0.00 N ATOM 427 CA LYS A 28 -1.074 8.076 0.818 1.00 0.00 C ATOM 428 C LYS A 28 -1.819 7.121 -0.109 1.00 0.00 C ATOM 429 O LYS A 28 -2.175 7.487 -1.235 1.00 0.00 O ATOM 430 CB LYS A 28 -2.033 9.137 1.353 1.00 0.00 C ATOM 431 CG LYS A 28 -3.278 8.574 2.012 1.00 0.00 C ATOM 432 CD LYS A 28 -4.435 9.561 1.924 1.00 0.00 C ATOM 433 CE LYS A 28 -4.847 9.813 0.477 1.00 0.00 C ATOM 434 NZ LYS A 28 -5.941 10.816 0.366 1.00 0.00 N ATOM 0 H LYS A 28 -0.247 9.090 -0.806 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.666 7.503 1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.503 9.759 2.075 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.333 9.787 0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.557 7.637 1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.069 8.345 3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.287 9.175 2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.147 10.503 2.391 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.982 10.158 -0.089 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.170 8.875 0.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.186 10.953 -0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.777 10.477 0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.626 11.720 0.772 1.00 0.00 H new ATOM 448 N VAL A 29 -2.051 5.906 0.367 1.00 0.00 N ATOM 449 CA VAL A 29 -2.780 4.906 -0.399 1.00 0.00 C ATOM 450 C VAL A 29 -4.132 4.625 0.251 1.00 0.00 C ATOM 451 O VAL A 29 -4.379 5.029 1.389 1.00 0.00 O ATOM 452 CB VAL A 29 -1.985 3.583 -0.530 1.00 0.00 C ATOM 453 CG1 VAL A 29 -0.545 3.866 -0.925 1.00 0.00 C ATOM 454 CG2 VAL A 29 -2.033 2.766 0.759 1.00 0.00 C ATOM 0 H VAL A 29 -1.743 5.588 1.286 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.928 5.311 -1.400 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.457 2.991 -1.314 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.000 2.926 -1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.526 4.387 -1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.074 4.488 -0.164 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.464 1.846 0.628 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.601 3.347 1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.068 2.522 0.997 1.00 0.00 H new ATOM 464 N ILE A 30 -5.006 3.942 -0.472 1.00 0.00 N ATOM 465 CA ILE A 30 -6.321 3.595 0.051 1.00 0.00 C ATOM 466 C ILE A 30 -6.388 2.109 0.383 1.00 0.00 C ATOM 467 O ILE A 30 -6.446 1.273 -0.515 1.00 0.00 O ATOM 468 CB ILE A 30 -7.438 3.932 -0.959 1.00 0.00 C ATOM 469 CG1 ILE A 30 -7.324 5.388 -1.407 1.00 0.00 C ATOM 470 CG2 ILE A 30 -8.812 3.658 -0.356 1.00 0.00 C ATOM 471 CD1 ILE A 30 -7.571 6.395 -0.304 1.00 0.00 C ATOM 0 H ILE A 30 -4.830 3.616 -1.422 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.474 4.184 0.955 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.320 3.291 -1.833 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.328 5.553 -1.819 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -8.036 5.566 -2.213 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.585 3.902 -1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.888 2.605 -0.087 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.947 4.271 0.535 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.471 7.404 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.577 6.260 0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.843 6.247 0.493 1.00 0.00 H new ATOM 483 N VAL A 31 -6.371 1.778 1.667 1.00 0.00 N ATOM 484 CA VAL A 31 -6.455 0.387 2.088 1.00 0.00 C ATOM 485 C VAL A 31 -7.908 -0.057 2.159 1.00 0.00 C ATOM 486 O VAL A 31 -8.624 0.276 3.104 1.00 0.00 O ATOM 487 CB VAL A 31 -5.807 0.136 3.466 1.00 0.00 C ATOM 488 CG1 VAL A 31 -5.814 -1.351 3.778 1.00 0.00 C ATOM 489 CG2 VAL A 31 -4.393 0.684 3.524 1.00 0.00 C ATOM 0 H VAL A 31 -6.300 2.450 2.431 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.907 -0.188 1.342 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.394 0.663 4.218 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.355 -1.521 4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.841 -1.715 3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.251 -1.886 3.013 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.968 0.490 4.509 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.783 0.198 2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.412 1.759 3.343 1.00 0.00 H new ATOM 499 N MET A 32 -8.339 -0.805 1.161 1.00 0.00 N ATOM 500 CA MET A 32 -9.706 -1.290 1.108 1.00 0.00 C ATOM 501 C MET A 32 -9.859 -2.563 1.927 1.00 0.00 C ATOM 502 O MET A 32 -10.830 -2.723 2.668 1.00 0.00 O ATOM 503 CB MET A 32 -10.112 -1.530 -0.341 1.00 0.00 C ATOM 504 CG MET A 32 -10.250 -0.243 -1.137 1.00 0.00 C ATOM 505 SD MET A 32 -10.181 -0.522 -2.915 1.00 0.00 S ATOM 506 CE MET A 32 -8.553 -1.251 -3.045 1.00 0.00 C ATOM 0 H MET A 32 -7.759 -1.091 0.372 1.00 0.00 H new ATOM 0 HA MET A 32 -10.364 -0.535 1.538 1.00 0.00 H new ATOM 0 HB2 MET A 32 -9.371 -2.170 -0.820 1.00 0.00 H new ATOM 0 HB3 MET A 32 -11.059 -2.068 -0.363 1.00 0.00 H new ATOM 0 HG2 MET A 32 -11.195 0.237 -0.884 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.455 0.446 -0.849 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.026 -0.815 -3.893 1.00 0.00 H new ATOM 0 HE2 MET A 32 -7.993 -1.056 -2.130 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.647 -2.327 -3.191 1.00 0.00 H new ATOM 516 N GLU A 33 -8.880 -3.451 1.811 1.00 0.00 N ATOM 517 CA GLU A 33 -8.917 -4.727 2.510 1.00 0.00 C ATOM 518 C GLU A 33 -7.554 -5.053 3.105 1.00 0.00 C ATOM 519 O GLU A 33 -6.517 -4.640 2.578 1.00 0.00 O ATOM 520 CB GLU A 33 -9.361 -5.842 1.558 1.00 0.00 C ATOM 521 CG GLU A 33 -10.781 -5.671 1.050 1.00 0.00 C ATOM 522 CD GLU A 33 -11.202 -6.788 0.123 1.00 0.00 C ATOM 523 OE1 GLU A 33 -11.431 -7.913 0.610 1.00 0.00 O ATOM 524 OE2 GLU A 33 -11.303 -6.545 -1.096 1.00 0.00 O ATOM 0 H GLU A 33 -8.049 -3.309 1.237 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.639 -4.652 3.323 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.680 -5.876 0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.279 -6.801 2.070 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -11.464 -5.630 1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.864 -4.718 0.527 1.00 0.00 H new ATOM 531 N LYS A 34 -7.563 -5.794 4.201 1.00 0.00 N ATOM 532 CA LYS A 34 -6.336 -6.162 4.893 1.00 0.00 C ATOM 533 C LYS A 34 -6.303 -7.655 5.168 1.00 0.00 C ATOM 534 O LYS A 34 -7.146 -8.180 5.898 1.00 0.00 O ATOM 535 CB LYS A 34 -6.200 -5.404 6.215 1.00 0.00 C ATOM 536 CG LYS A 34 -5.978 -3.912 6.062 1.00 0.00 C ATOM 537 CD LYS A 34 -5.828 -3.243 7.416 1.00 0.00 C ATOM 538 CE LYS A 34 -5.378 -1.805 7.289 1.00 0.00 C ATOM 539 NZ LYS A 34 -5.276 -1.150 8.617 1.00 0.00 N ATOM 0 H LYS A 34 -8.413 -6.155 4.634 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.502 -5.894 4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.101 -5.566 6.807 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.368 -5.827 6.778 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.085 -3.733 5.463 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.816 -3.469 5.524 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.780 -3.280 7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.107 -3.797 8.017 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.411 -1.768 6.788 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.082 -1.256 6.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.649 -0.181 8.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -5.828 -1.690 9.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.280 -1.119 8.913 1.00 0.00 H new ATOM 553 N CYS A 35 -5.327 -8.336 4.592 1.00 0.00 N ATOM 554 CA CYS A 35 -5.166 -9.760 4.823 1.00 0.00 C ATOM 555 C CYS A 35 -4.147 -9.997 5.937 1.00 0.00 C ATOM 556 O CYS A 35 -3.299 -9.144 6.208 1.00 0.00 O ATOM 557 CB CYS A 35 -4.742 -10.469 3.533 1.00 0.00 C ATOM 558 SG CYS A 35 -4.530 -12.257 3.705 1.00 0.00 S ATOM 0 H CYS A 35 -4.636 -7.927 3.963 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.123 -10.177 5.136 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.489 -10.275 2.763 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.805 -10.035 3.184 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.313 -12.583 3.384 1.00 0.00 H new ATOM 564 N SER A 36 -4.239 -11.155 6.575 1.00 0.00 N ATOM 565 CA SER A 36 -3.421 -11.460 7.742 1.00 0.00 C ATOM 566 C SER A 36 -2.035 -11.988 7.357 1.00 0.00 C ATOM 567 O SER A 36 -1.194 -12.216 8.225 1.00 0.00 O ATOM 568 CB SER A 36 -4.137 -12.490 8.621 1.00 0.00 C ATOM 569 OG SER A 36 -5.477 -12.101 8.886 1.00 0.00 O ATOM 0 H SER A 36 -4.876 -11.904 6.303 1.00 0.00 H new ATOM 0 HA SER A 36 -3.278 -10.530 8.292 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.129 -13.461 8.126 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.597 -12.607 9.561 1.00 0.00 H new ATOM 0 HG SER A 36 -5.909 -12.778 9.447 1.00 0.00 H new ATOM 575 N ASP A 37 -1.788 -12.176 6.062 1.00 0.00 N ATOM 576 CA ASP A 37 -0.522 -12.757 5.615 1.00 0.00 C ATOM 577 C ASP A 37 0.576 -11.699 5.537 1.00 0.00 C ATOM 578 O ASP A 37 1.738 -11.981 5.832 1.00 0.00 O ATOM 579 CB ASP A 37 -0.676 -13.440 4.250 1.00 0.00 C ATOM 580 CG ASP A 37 -0.785 -12.456 3.097 1.00 0.00 C ATOM 581 OD1 ASP A 37 -1.906 -12.023 2.791 1.00 0.00 O ATOM 582 OD2 ASP A 37 0.255 -12.111 2.501 1.00 0.00 O ATOM 0 H ASP A 37 -2.437 -11.938 5.312 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.235 -13.506 6.353 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.178 -14.095 4.080 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.564 -14.072 4.265 1.00 0.00 H new ATOM 587 N GLY A 38 0.204 -10.490 5.150 1.00 0.00 N ATOM 588 CA GLY A 38 1.180 -9.434 4.992 1.00 0.00 C ATOM 589 C GLY A 38 0.826 -8.500 3.858 1.00 0.00 C ATOM 590 O GLY A 38 1.070 -7.296 3.942 1.00 0.00 O ATOM 0 H GLY A 38 -0.758 -10.221 4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.253 -8.866 5.920 1.00 0.00 H new ATOM 0 HA3 GLY A 38 2.161 -9.872 4.808 1.00 0.00 H new ATOM 594 N TRP A 39 0.256 -9.055 2.793 1.00 0.00 N ATOM 595 CA TRP A 39 -0.189 -8.251 1.661 1.00 0.00 C ATOM 596 C TRP A 39 -1.506 -7.549 1.973 1.00 0.00 C ATOM 597 O TRP A 39 -2.487 -8.186 2.370 1.00 0.00 O ATOM 598 CB TRP A 39 -0.365 -9.116 0.408 1.00 0.00 C ATOM 599 CG TRP A 39 0.922 -9.599 -0.195 1.00 0.00 C ATOM 600 CD1 TRP A 39 1.467 -10.846 -0.079 1.00 0.00 C ATOM 601 CD2 TRP A 39 1.820 -8.847 -1.023 1.00 0.00 C ATOM 602 NE1 TRP A 39 2.644 -10.915 -0.785 1.00 0.00 N ATOM 603 CE2 TRP A 39 2.882 -9.700 -1.372 1.00 0.00 C ATOM 604 CE3 TRP A 39 1.828 -7.534 -1.503 1.00 0.00 C ATOM 605 CZ2 TRP A 39 3.939 -9.284 -2.178 1.00 0.00 C ATOM 606 CZ3 TRP A 39 2.878 -7.122 -2.303 1.00 0.00 C ATOM 607 CH2 TRP A 39 3.919 -7.995 -2.634 1.00 0.00 C ATOM 0 H TRP A 39 0.092 -10.056 2.691 1.00 0.00 H new ATOM 0 HA TRP A 39 0.581 -7.502 1.474 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -0.981 -9.979 0.660 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -0.911 -8.543 -0.341 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.036 -11.659 0.485 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.243 -11.737 -0.860 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.028 -6.853 -1.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 4.745 -9.955 -2.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 2.894 -6.109 -2.678 1.00 0.00 H new ATOM 0 HH2 TRP A 39 4.724 -7.644 -3.263 1.00 0.00 H new ATOM 618 N TRP A 40 -1.523 -6.236 1.802 1.00 0.00 N ATOM 619 CA TRP A 40 -2.748 -5.471 1.947 1.00 0.00 C ATOM 620 C TRP A 40 -3.259 -5.033 0.582 1.00 0.00 C ATOM 621 O TRP A 40 -2.477 -4.781 -0.336 1.00 0.00 O ATOM 622 CB TRP A 40 -2.544 -4.262 2.865 1.00 0.00 C ATOM 623 CG TRP A 40 -2.510 -4.624 4.320 1.00 0.00 C ATOM 624 CD1 TRP A 40 -2.714 -5.860 4.858 1.00 0.00 C ATOM 625 CD2 TRP A 40 -2.274 -3.743 5.426 1.00 0.00 C ATOM 626 NE1 TRP A 40 -2.617 -5.807 6.225 1.00 0.00 N ATOM 627 CE2 TRP A 40 -2.346 -4.519 6.599 1.00 0.00 C ATOM 628 CE3 TRP A 40 -2.005 -2.376 5.538 1.00 0.00 C ATOM 629 CZ2 TRP A 40 -2.163 -3.972 7.864 1.00 0.00 C ATOM 630 CZ3 TRP A 40 -1.824 -1.837 6.798 1.00 0.00 C ATOM 631 CH2 TRP A 40 -1.901 -2.633 7.944 1.00 0.00 C ATOM 0 H TRP A 40 -0.702 -5.680 1.563 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.497 -6.113 2.411 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -1.611 -3.765 2.599 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.347 -3.545 2.694 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -2.922 -6.754 4.289 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -2.729 -6.598 6.859 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.940 -1.753 4.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.226 -4.584 8.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.619 -0.781 6.899 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -1.750 -2.181 8.913 1.00 0.00 H new ATOM 642 N ARG A 41 -4.574 -4.961 0.457 1.00 0.00 N ATOM 643 CA ARG A 41 -5.212 -4.646 -0.810 1.00 0.00 C ATOM 644 C ARG A 41 -5.552 -3.161 -0.857 1.00 0.00 C ATOM 645 O ARG A 41 -6.480 -2.709 -0.180 1.00 0.00 O ATOM 646 CB ARG A 41 -6.476 -5.498 -0.966 1.00 0.00 C ATOM 647 CG ARG A 41 -7.010 -5.569 -2.387 1.00 0.00 C ATOM 648 CD ARG A 41 -8.233 -6.472 -2.455 1.00 0.00 C ATOM 649 NE ARG A 41 -8.616 -6.797 -3.827 1.00 0.00 N ATOM 650 CZ ARG A 41 -9.687 -7.525 -4.149 1.00 0.00 C ATOM 651 NH1 ARG A 41 -10.544 -7.925 -3.217 1.00 0.00 N ATOM 652 NH2 ARG A 41 -9.920 -7.827 -5.416 1.00 0.00 N ATOM 0 H ARG A 41 -5.226 -5.118 1.226 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.534 -4.870 -1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.264 -6.509 -0.619 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.254 -5.095 -0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.270 -4.569 -2.734 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.235 -5.946 -3.054 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -8.030 -7.394 -1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.069 -5.984 -1.954 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.029 -6.446 -4.584 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.388 -7.676 -2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.358 -8.481 -3.478 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.282 -7.504 -6.143 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.738 -8.383 -5.666 1.00 0.00 H new ATOM 666 N GLY A 42 -4.802 -2.404 -1.645 1.00 0.00 N ATOM 667 CA GLY A 42 -4.966 -0.967 -1.649 1.00 0.00 C ATOM 668 C GLY A 42 -4.885 -0.359 -3.030 1.00 0.00 C ATOM 669 O GLY A 42 -4.536 -1.036 -4.000 1.00 0.00 O ATOM 0 H GLY A 42 -4.086 -2.759 -2.279 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.930 -0.717 -1.206 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.199 -0.519 -1.017 1.00 0.00 H new ATOM 673 N SER A 43 -5.216 0.919 -3.112 1.00 0.00 N ATOM 674 CA SER A 43 -5.206 1.645 -4.369 1.00 0.00 C ATOM 675 C SER A 43 -4.339 2.901 -4.248 1.00 0.00 C ATOM 676 O SER A 43 -4.284 3.520 -3.180 1.00 0.00 O ATOM 677 CB SER A 43 -6.645 2.012 -4.745 1.00 0.00 C ATOM 678 OG SER A 43 -7.236 2.845 -3.764 1.00 0.00 O ATOM 0 H SER A 43 -5.499 1.481 -2.309 1.00 0.00 H new ATOM 0 HA SER A 43 -4.780 1.018 -5.152 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.653 2.520 -5.709 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.237 1.104 -4.858 1.00 0.00 H new ATOM 0 HG SER A 43 -8.111 2.483 -3.512 1.00 0.00 H new ATOM 684 N TYR A 44 -3.645 3.261 -5.326 1.00 0.00 N ATOM 685 CA TYR A 44 -2.785 4.441 -5.329 1.00 0.00 C ATOM 686 C TYR A 44 -2.666 5.034 -6.733 1.00 0.00 C ATOM 687 O TYR A 44 -2.461 4.307 -7.711 1.00 0.00 O ATOM 688 CB TYR A 44 -1.394 4.089 -4.777 1.00 0.00 C ATOM 689 CG TYR A 44 -0.370 5.189 -4.938 1.00 0.00 C ATOM 690 CD1 TYR A 44 -0.477 6.379 -4.231 1.00 0.00 C ATOM 691 CD2 TYR A 44 0.700 5.039 -5.810 1.00 0.00 C ATOM 692 CE1 TYR A 44 0.454 7.390 -4.391 1.00 0.00 C ATOM 693 CE2 TYR A 44 1.635 6.041 -5.974 1.00 0.00 C ATOM 694 CZ TYR A 44 1.508 7.216 -5.264 1.00 0.00 C ATOM 695 OH TYR A 44 2.437 8.219 -5.429 1.00 0.00 O ATOM 0 H TYR A 44 -3.662 2.751 -6.209 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.241 5.192 -4.684 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.486 3.845 -3.719 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.031 3.193 -5.280 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -1.300 6.518 -3.545 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.803 4.121 -6.370 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.356 8.311 -3.835 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.462 5.905 -6.655 1.00 0.00 H new ATOM 0 HH TYR A 44 3.114 7.935 -6.078 1.00 0.00 H new ATOM 705 N ASN A 45 -2.809 6.362 -6.809 1.00 0.00 N ATOM 706 CA ASN A 45 -2.660 7.120 -8.057 1.00 0.00 C ATOM 707 C ASN A 45 -3.739 6.756 -9.071 1.00 0.00 C ATOM 708 O ASN A 45 -4.786 7.399 -9.141 1.00 0.00 O ATOM 709 CB ASN A 45 -1.254 6.931 -8.653 1.00 0.00 C ATOM 710 CG ASN A 45 -1.059 7.672 -9.969 1.00 0.00 C ATOM 711 OD1 ASN A 45 -1.260 7.111 -11.046 1.00 0.00 O ATOM 712 ND2 ASN A 45 -0.673 8.935 -9.893 1.00 0.00 N ATOM 0 H ASN A 45 -3.033 6.944 -6.002 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.786 8.175 -7.814 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.512 7.278 -7.934 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.073 5.868 -8.811 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.532 9.477 -10.745 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.516 9.366 -8.982 1.00 0.00 H new ATOM 719 N GLY A 46 -3.481 5.719 -9.835 1.00 0.00 N ATOM 720 CA GLY A 46 -4.415 5.283 -10.849 1.00 0.00 C ATOM 721 C GLY A 46 -4.329 3.795 -11.096 1.00 0.00 C ATOM 722 O GLY A 46 -4.752 3.306 -12.144 1.00 0.00 O ATOM 0 H GLY A 46 -2.630 5.160 -9.773 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.429 5.542 -10.543 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.216 5.817 -11.778 1.00 0.00 H new ATOM 726 N GLN A 47 -3.779 3.070 -10.136 1.00 0.00 N ATOM 727 CA GLN A 47 -3.650 1.630 -10.257 1.00 0.00 C ATOM 728 C GLN A 47 -3.921 0.986 -8.904 1.00 0.00 C ATOM 729 O GLN A 47 -3.694 1.603 -7.861 1.00 0.00 O ATOM 730 CB GLN A 47 -2.255 1.260 -10.778 1.00 0.00 C ATOM 731 CG GLN A 47 -2.153 -0.167 -11.294 1.00 0.00 C ATOM 732 CD GLN A 47 -0.851 -0.440 -12.030 1.00 0.00 C ATOM 733 OE1 GLN A 47 0.221 0.219 -11.618 1.00 0.00 O flip ATOM 734 NE2 GLN A 47 -0.807 -1.248 -12.960 1.00 0.00 N flip ATOM 0 H GLN A 47 -3.415 3.456 -9.265 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.380 1.257 -10.976 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.982 1.947 -11.579 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.529 1.400 -9.977 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.242 -0.858 -10.456 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.991 -0.367 -11.962 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.653 -1.738 -13.251 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.076 -1.427 -13.439 1.00 0.00 H new ATOM 743 N VAL A 48 -4.430 -0.233 -8.920 1.00 0.00 N ATOM 744 CA VAL A 48 -4.794 -0.917 -7.694 1.00 0.00 C ATOM 745 C VAL A 48 -4.016 -2.224 -7.569 1.00 0.00 C ATOM 746 O VAL A 48 -3.456 -2.708 -8.552 1.00 0.00 O ATOM 747 CB VAL A 48 -6.311 -1.218 -7.663 1.00 0.00 C ATOM 748 CG1 VAL A 48 -6.626 -2.520 -8.387 1.00 0.00 C ATOM 749 CG2 VAL A 48 -6.830 -1.243 -6.236 1.00 0.00 C ATOM 0 H VAL A 48 -4.601 -0.770 -9.771 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.546 -0.264 -6.857 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.824 -0.414 -8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.699 -2.707 -8.350 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.307 -2.445 -9.426 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.098 -3.342 -7.904 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.899 -1.457 -6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.308 -2.017 -5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.656 -0.274 -5.769 1.00 0.00 H new ATOM 759 N GLY A 49 -3.976 -2.788 -6.369 1.00 0.00 N ATOM 760 CA GLY A 49 -3.362 -4.082 -6.196 1.00 0.00 C ATOM 761 C GLY A 49 -2.953 -4.341 -4.763 1.00 0.00 C ATOM 762 O GLY A 49 -3.627 -3.903 -3.826 1.00 0.00 O ATOM 0 H GLY A 49 -4.357 -2.372 -5.519 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.058 -4.857 -6.518 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.485 -4.154 -6.840 1.00 0.00 H new ATOM 766 N TRP A 50 -1.853 -5.054 -4.594 1.00 0.00 N ATOM 767 CA TRP A 50 -1.387 -5.447 -3.276 1.00 0.00 C ATOM 768 C TRP A 50 -0.077 -4.748 -2.934 1.00 0.00 C ATOM 769 O TRP A 50 0.774 -4.539 -3.802 1.00 0.00 O ATOM 770 CB TRP A 50 -1.183 -6.962 -3.230 1.00 0.00 C ATOM 771 CG TRP A 50 -2.397 -7.747 -3.625 1.00 0.00 C ATOM 772 CD1 TRP A 50 -2.761 -8.113 -4.891 1.00 0.00 C ATOM 773 CD2 TRP A 50 -3.406 -8.268 -2.752 1.00 0.00 C ATOM 774 NE1 TRP A 50 -3.934 -8.829 -4.856 1.00 0.00 N ATOM 775 CE2 TRP A 50 -4.351 -8.936 -3.557 1.00 0.00 C ATOM 776 CE3 TRP A 50 -3.604 -8.234 -1.369 1.00 0.00 C ATOM 777 CZ2 TRP A 50 -5.473 -9.563 -3.021 1.00 0.00 C ATOM 778 CZ3 TRP A 50 -4.719 -8.857 -0.840 1.00 0.00 C ATOM 779 CH2 TRP A 50 -5.641 -9.513 -1.665 1.00 0.00 C ATOM 0 H TRP A 50 -1.262 -5.375 -5.361 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.140 -5.154 -2.544 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -0.358 -7.229 -3.891 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.888 -7.249 -2.221 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -2.208 -7.874 -5.787 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -4.416 -9.218 -5.667 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.899 -7.730 -0.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -6.185 -10.071 -3.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.882 -8.837 0.227 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.503 -9.989 -1.221 1.00 0.00 H new ATOM 790 N PHE A 51 0.079 -4.391 -1.670 1.00 0.00 N ATOM 791 CA PHE A 51 1.305 -3.770 -1.196 1.00 0.00 C ATOM 792 C PHE A 51 1.685 -4.342 0.170 1.00 0.00 C ATOM 793 O PHE A 51 0.824 -4.842 0.898 1.00 0.00 O ATOM 794 CB PHE A 51 1.139 -2.243 -1.120 1.00 0.00 C ATOM 795 CG PHE A 51 0.149 -1.779 -0.084 1.00 0.00 C ATOM 796 CD1 PHE A 51 0.547 -1.586 1.226 1.00 0.00 C ATOM 797 CD2 PHE A 51 -1.179 -1.548 -0.414 1.00 0.00 C ATOM 798 CE1 PHE A 51 -0.350 -1.173 2.185 1.00 0.00 C ATOM 799 CE2 PHE A 51 -2.082 -1.136 0.547 1.00 0.00 C ATOM 800 CZ PHE A 51 -1.665 -0.948 1.848 1.00 0.00 C ATOM 0 H PHE A 51 -0.632 -4.521 -0.950 1.00 0.00 H new ATOM 0 HA PHE A 51 2.108 -3.989 -1.900 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.109 -1.794 -0.906 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.825 -1.874 -2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.577 -1.762 1.501 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.510 -1.692 -1.432 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.021 -1.025 3.203 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.114 -0.961 0.280 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.369 -0.625 2.601 1.00 0.00 H new ATOM 810 N PRO A 52 2.980 -4.302 0.525 1.00 0.00 N ATOM 811 CA PRO A 52 3.456 -4.792 1.822 1.00 0.00 C ATOM 812 C PRO A 52 3.020 -3.891 2.978 1.00 0.00 C ATOM 813 O PRO A 52 3.218 -2.675 2.942 1.00 0.00 O ATOM 814 CB PRO A 52 4.980 -4.783 1.671 1.00 0.00 C ATOM 815 CG PRO A 52 5.252 -3.754 0.629 1.00 0.00 C ATOM 816 CD PRO A 52 4.081 -3.789 -0.310 1.00 0.00 C ATOM 0 HA PRO A 52 3.049 -5.774 2.062 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.469 -4.532 2.612 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.353 -5.761 1.368 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.363 -2.766 1.077 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.181 -3.970 0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.855 -2.799 -0.706 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.272 -4.438 -1.164 1.00 0.00 H new ATOM 824 N SER A 53 2.452 -4.505 4.008 1.00 0.00 N ATOM 825 CA SER A 53 1.904 -3.780 5.155 1.00 0.00 C ATOM 826 C SER A 53 2.977 -3.011 5.927 1.00 0.00 C ATOM 827 O SER A 53 2.689 -2.001 6.567 1.00 0.00 O ATOM 828 CB SER A 53 1.203 -4.772 6.079 1.00 0.00 C ATOM 829 OG SER A 53 1.954 -5.971 6.192 1.00 0.00 O ATOM 0 H SER A 53 2.357 -5.518 4.075 1.00 0.00 H new ATOM 0 HA SER A 53 1.195 -3.042 4.780 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.070 -4.326 7.065 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.208 -4.995 5.693 1.00 0.00 H new ATOM 0 HG SER A 53 1.660 -6.607 5.507 1.00 0.00 H new ATOM 835 N ASN A 54 4.213 -3.484 5.852 1.00 0.00 N ATOM 836 CA ASN A 54 5.327 -2.866 6.572 1.00 0.00 C ATOM 837 C ASN A 54 5.552 -1.429 6.091 1.00 0.00 C ATOM 838 O ASN A 54 5.956 -0.556 6.858 1.00 0.00 O ATOM 839 CB ASN A 54 6.597 -3.705 6.357 1.00 0.00 C ATOM 840 CG ASN A 54 7.752 -3.331 7.275 1.00 0.00 C ATOM 841 OD1 ASN A 54 7.898 -2.188 7.702 1.00 0.00 O ATOM 842 ND2 ASN A 54 8.588 -4.309 7.587 1.00 0.00 N ATOM 0 H ASN A 54 4.475 -4.299 5.297 1.00 0.00 H new ATOM 0 HA ASN A 54 5.089 -2.832 7.635 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.354 -4.757 6.507 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.920 -3.597 5.322 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.383 -4.125 8.199 1.00 0.00 H new ATOM 0 HD22 ASN A 54 8.437 -5.247 7.215 1.00 0.00 H new ATOM 849 N TYR A 55 5.232 -1.176 4.828 1.00 0.00 N ATOM 850 CA TYR A 55 5.574 0.090 4.190 1.00 0.00 C ATOM 851 C TYR A 55 4.484 1.151 4.355 1.00 0.00 C ATOM 852 O TYR A 55 4.552 2.199 3.715 1.00 0.00 O ATOM 853 CB TYR A 55 5.846 -0.128 2.698 1.00 0.00 C ATOM 854 CG TYR A 55 7.181 -0.779 2.387 1.00 0.00 C ATOM 855 CD1 TYR A 55 7.492 -2.051 2.852 1.00 0.00 C ATOM 856 CD2 TYR A 55 8.127 -0.116 1.612 1.00 0.00 C ATOM 857 CE1 TYR A 55 8.708 -2.641 2.558 1.00 0.00 C ATOM 858 CE2 TYR A 55 9.342 -0.702 1.312 1.00 0.00 C ATOM 859 CZ TYR A 55 9.628 -1.963 1.785 1.00 0.00 C ATOM 860 OH TYR A 55 10.836 -2.554 1.487 1.00 0.00 O ATOM 0 H TYR A 55 4.736 -1.831 4.224 1.00 0.00 H new ATOM 0 HA TYR A 55 6.470 0.459 4.689 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.050 -0.747 2.284 1.00 0.00 H new ATOM 0 HB3 TYR A 55 5.799 0.835 2.189 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.773 -2.588 3.453 1.00 0.00 H new ATOM 0 HD2 TYR A 55 7.908 0.873 1.238 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.936 -3.628 2.932 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.065 -0.173 0.709 1.00 0.00 H new ATOM 0 HH TYR A 55 11.370 -1.946 0.933 1.00 0.00 H new ATOM 870 N VAL A 56 3.494 0.910 5.206 1.00 0.00 N ATOM 871 CA VAL A 56 2.417 1.883 5.390 1.00 0.00 C ATOM 872 C VAL A 56 2.103 2.147 6.858 1.00 0.00 C ATOM 873 O VAL A 56 2.281 1.287 7.718 1.00 0.00 O ATOM 874 CB VAL A 56 1.115 1.465 4.685 1.00 0.00 C ATOM 875 CG1 VAL A 56 1.297 1.491 3.176 1.00 0.00 C ATOM 876 CG2 VAL A 56 0.655 0.098 5.171 1.00 0.00 C ATOM 0 H VAL A 56 3.411 0.065 5.772 1.00 0.00 H new ATOM 0 HA VAL A 56 2.796 2.798 4.936 1.00 0.00 H new ATOM 0 HB VAL A 56 0.334 2.182 4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.367 1.193 2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.564 2.499 2.859 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.091 0.800 2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.267 -0.178 4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.425 -0.643 4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.477 0.135 6.246 1.00 0.00 H new ATOM 886 N THR A 57 1.647 3.360 7.117 1.00 0.00 N ATOM 887 CA THR A 57 1.163 3.775 8.423 1.00 0.00 C ATOM 888 C THR A 57 -0.274 4.271 8.290 1.00 0.00 C ATOM 889 O THR A 57 -0.568 5.076 7.409 1.00 0.00 O ATOM 890 CB THR A 57 2.065 4.891 9.018 1.00 0.00 C ATOM 891 OG1 THR A 57 3.080 4.318 9.854 1.00 0.00 O ATOM 892 CG2 THR A 57 1.273 5.921 9.813 1.00 0.00 C ATOM 0 H THR A 57 1.602 4.097 6.414 1.00 0.00 H new ATOM 0 HA THR A 57 1.194 2.922 9.101 1.00 0.00 H new ATOM 0 HB THR A 57 2.524 5.407 8.175 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.643 5.031 10.221 1.00 0.00 H new ATOM 0 HG21 THR A 57 1.952 6.678 10.206 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.538 6.396 9.163 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.761 5.428 10.640 1.00 0.00 H new ATOM 900 N GLU A 58 -1.164 3.780 9.141 1.00 0.00 N ATOM 901 CA GLU A 58 -2.570 4.173 9.085 1.00 0.00 C ATOM 902 C GLU A 58 -2.708 5.674 9.316 1.00 0.00 C ATOM 903 O GLU A 58 -3.029 6.436 8.404 1.00 0.00 O ATOM 904 CB GLU A 58 -3.385 3.407 10.126 1.00 0.00 C ATOM 905 CG GLU A 58 -3.309 1.904 9.959 1.00 0.00 C ATOM 906 CD GLU A 58 -4.256 1.165 10.881 1.00 0.00 C ATOM 907 OE1 GLU A 58 -3.898 0.937 12.054 1.00 0.00 O ATOM 908 OE2 GLU A 58 -5.359 0.799 10.425 1.00 0.00 O ATOM 0 H GLU A 58 -0.941 3.110 9.877 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.955 3.930 8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.031 3.673 11.122 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.427 3.720 10.064 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.539 1.645 8.925 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.289 1.572 10.151 1.00 0.00 H new