USER MOD reduce.3.24.130724 H: found=0, std=0, add=774, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 775 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 22 THR OG1 : rot -140:sc= 0.562 USER MOD Set 1.2: A 79 LYS NZ :NH3+ -175:sc= 0.266 (180deg=-0.237) USER MOD Set 2.1: A 8 HIS : no HD1:sc= 0.154 K(o=1.1,f=-4.6) USER MOD Set 2.2: A 26 THR OG1 : rot -134:sc= 0.965 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= 0.375 K(o=0.37,f=-1.9!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 CYS SG : rot 87:sc= 0.0826 USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= -0.0976 (180deg=-0.421) USER MOD Single : A 19 SER OG : rot 118:sc= 1.28 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 30:sc= 1.24 USER MOD Single : A 33 LYS NZ :NH3+ 146:sc= 0.412 (180deg=-0.321) USER MOD Single : A 34 LYS NZ :NH3+ -168:sc= -0.014 (180deg=-0.223) USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 74:sc= 1.15 USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= -0.0492 (180deg=-0.297) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -37:sc= 0.867 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -154:sc= -1.15! (180deg=-3.53!) USER MOD Single : A 65 MET CE :methyl -170:sc= -0.325 (180deg=-0.729) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -109:sc= 0.912 (180deg=-0.0469) USER MOD Single : A 73 HIS : no HD1:sc= -0.349 X(o=-0.35,f=0.075) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 166:sc= 2.35 (180deg=2) USER MOD Single : A 81 GLN : amide:sc= -0.0321 K(o=-0.032,f=-0.71) USER MOD Single : A 84 SER OG : rot 77:sc= 1.25 USER MOD Single : A 86 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00632) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.14) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.00492 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.248 USER MOD Single : A 95 LYS NZ :NH3+ 170:sc= -0.0226 (180deg=-0.195) USER MOD Single : A 97 SER OG : rot -7:sc= 1.05 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.00331 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 6 0.382 -15.899 -6.582 1.00 0.00 N ATOM 2 CA MET A 6 0.207 -14.918 -5.522 1.00 0.00 C ATOM 3 C MET A 6 1.470 -14.106 -5.294 1.00 0.00 C ATOM 4 O MET A 6 2.312 -14.459 -4.466 1.00 0.00 O ATOM 5 CB MET A 6 -0.229 -15.567 -4.207 1.00 0.00 C ATOM 6 CG MET A 6 -1.718 -15.847 -4.128 1.00 0.00 C ATOM 7 SD MET A 6 -2.265 -16.205 -2.446 1.00 0.00 S ATOM 8 CE MET A 6 -4.009 -16.514 -2.714 1.00 0.00 C ATOM 0 HA MET A 6 -0.585 -14.248 -5.856 1.00 0.00 H new ATOM 0 HB2 MET A 6 0.315 -16.503 -4.076 1.00 0.00 H new ATOM 0 HB3 MET A 6 0.053 -14.916 -3.380 1.00 0.00 H new ATOM 0 HG2 MET A 6 -2.267 -14.986 -4.510 1.00 0.00 H new ATOM 0 HG3 MET A 6 -1.960 -16.692 -4.773 1.00 0.00 H new ATOM 0 HE1 MET A 6 -4.487 -16.750 -1.763 1.00 0.00 H new ATOM 0 HE2 MET A 6 -4.474 -15.627 -3.143 1.00 0.00 H new ATOM 0 HE3 MET A 6 -4.129 -17.354 -3.399 1.00 0.00 H new ATOM 18 N ASN A 7 1.611 -13.033 -6.051 1.00 0.00 N ATOM 19 CA ASN A 7 2.668 -12.069 -5.802 1.00 0.00 C ATOM 20 C ASN A 7 2.045 -10.837 -5.179 1.00 0.00 C ATOM 21 O ASN A 7 1.346 -10.088 -5.856 1.00 0.00 O ATOM 22 CB ASN A 7 3.400 -11.684 -7.090 1.00 0.00 C ATOM 23 CG ASN A 7 3.938 -12.878 -7.852 1.00 0.00 C ATOM 24 OD1 ASN A 7 3.278 -13.397 -8.752 1.00 0.00 O ATOM 25 ND2 ASN A 7 5.138 -13.320 -7.502 1.00 0.00 N ATOM 0 H ASN A 7 1.008 -12.807 -6.842 1.00 0.00 H new ATOM 0 HA ASN A 7 3.403 -12.515 -5.133 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.720 -11.127 -7.734 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.226 -11.016 -6.845 1.00 0.00 H new ATOM 0 HD21 ASN A 7 5.548 -14.120 -7.985 1.00 0.00 H new ATOM 0 HD22 ASN A 7 5.651 -12.860 -6.750 1.00 0.00 H new ATOM 32 N HIS A 8 2.268 -10.640 -3.892 1.00 0.00 N ATOM 33 CA HIS A 8 1.585 -9.574 -3.176 1.00 0.00 C ATOM 34 C HIS A 8 2.406 -8.294 -3.207 1.00 0.00 C ATOM 35 O HIS A 8 3.323 -8.109 -2.406 1.00 0.00 O ATOM 36 CB HIS A 8 1.294 -9.982 -1.728 1.00 0.00 C ATOM 37 CG HIS A 8 0.557 -11.284 -1.592 1.00 0.00 C ATOM 38 ND1 HIS A 8 -0.810 -11.394 -1.706 1.00 0.00 N ATOM 39 CD2 HIS A 8 1.010 -12.537 -1.343 1.00 0.00 C ATOM 40 CE1 HIS A 8 -1.167 -12.653 -1.530 1.00 0.00 C ATOM 41 NE2 HIS A 8 -0.081 -13.368 -1.311 1.00 0.00 N ATOM 0 H HIS A 8 2.909 -11.196 -3.325 1.00 0.00 H new ATOM 0 HA HIS A 8 0.635 -9.391 -3.677 1.00 0.00 H new ATOM 0 HB2 HIS A 8 2.237 -10.053 -1.186 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.710 -9.195 -1.251 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.040 -12.828 -1.197 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -2.178 -13.033 -1.560 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -0.056 -14.374 -1.145 1.00 0.00 H new ATOM 50 N TYR A 9 2.082 -7.428 -4.151 1.00 0.00 N ATOM 51 CA TYR A 9 2.747 -6.138 -4.265 1.00 0.00 C ATOM 52 C TYR A 9 1.840 -5.031 -3.737 1.00 0.00 C ATOM 53 O TYR A 9 0.808 -4.728 -4.338 1.00 0.00 O ATOM 54 CB TYR A 9 3.119 -5.839 -5.722 1.00 0.00 C ATOM 55 CG TYR A 9 4.229 -6.708 -6.277 1.00 0.00 C ATOM 56 CD1 TYR A 9 5.559 -6.318 -6.172 1.00 0.00 C ATOM 57 CD2 TYR A 9 3.949 -7.907 -6.916 1.00 0.00 C ATOM 58 CE1 TYR A 9 6.576 -7.099 -6.689 1.00 0.00 C ATOM 59 CE2 TYR A 9 4.962 -8.696 -7.431 1.00 0.00 C ATOM 60 CZ TYR A 9 6.272 -8.286 -7.314 1.00 0.00 C ATOM 61 OH TYR A 9 7.281 -9.069 -7.832 1.00 0.00 O ATOM 0 H TYR A 9 1.360 -7.594 -4.853 1.00 0.00 H new ATOM 0 HA TYR A 9 3.660 -6.177 -3.671 1.00 0.00 H new ATOM 0 HB2 TYR A 9 2.232 -5.963 -6.343 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.419 -4.794 -5.800 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.802 -5.389 -5.678 1.00 0.00 H new ATOM 0 HD2 TYR A 9 2.923 -8.230 -7.013 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.604 -6.779 -6.603 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.727 -9.629 -7.922 1.00 0.00 H new ATOM 0 HH TYR A 9 6.895 -9.873 -8.238 1.00 0.00 H new ATOM 71 N VAL A 10 2.217 -4.445 -2.612 1.00 0.00 N ATOM 72 CA VAL A 10 1.467 -3.335 -2.050 1.00 0.00 C ATOM 73 C VAL A 10 1.932 -2.039 -2.693 1.00 0.00 C ATOM 74 O VAL A 10 3.076 -1.629 -2.513 1.00 0.00 O ATOM 75 CB VAL A 10 1.644 -3.205 -0.523 1.00 0.00 C ATOM 76 CG1 VAL A 10 0.730 -2.112 0.006 1.00 0.00 C ATOM 77 CG2 VAL A 10 1.373 -4.521 0.199 1.00 0.00 C ATOM 0 H VAL A 10 3.037 -4.720 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 10 0.414 -3.530 -2.252 1.00 0.00 H new ATOM 0 HB VAL A 10 2.683 -2.940 -0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.857 -2.022 1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.983 -1.164 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.306 -2.365 -0.218 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.510 -4.382 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.350 -4.840 0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.066 -5.282 -0.160 1.00 0.00 H new ATOM 87 N TYR A 11 1.060 -1.398 -3.441 1.00 0.00 N ATOM 88 CA TYR A 11 1.420 -0.162 -4.107 1.00 0.00 C ATOM 89 C TYR A 11 0.689 1.012 -3.481 1.00 0.00 C ATOM 90 O TYR A 11 -0.475 0.900 -3.094 1.00 0.00 O ATOM 91 CB TYR A 11 1.125 -0.246 -5.612 1.00 0.00 C ATOM 92 CG TYR A 11 -0.281 -0.700 -5.956 1.00 0.00 C ATOM 93 CD1 TYR A 11 -1.320 0.213 -6.097 1.00 0.00 C ATOM 94 CD2 TYR A 11 -0.567 -2.047 -6.151 1.00 0.00 C ATOM 95 CE1 TYR A 11 -2.601 -0.205 -6.415 1.00 0.00 C ATOM 96 CE2 TYR A 11 -1.844 -2.469 -6.470 1.00 0.00 C ATOM 97 CZ TYR A 11 -2.857 -1.546 -6.600 1.00 0.00 C ATOM 98 OH TYR A 11 -4.128 -1.965 -6.922 1.00 0.00 O ATOM 0 H TYR A 11 0.102 -1.709 -3.604 1.00 0.00 H new ATOM 0 HA TYR A 11 2.491 -0.006 -3.981 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.295 0.734 -6.057 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.837 -0.933 -6.071 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.125 1.266 -5.956 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.223 -2.777 -6.051 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.397 0.518 -6.518 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -2.046 -3.520 -6.617 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.136 -2.940 -7.018 1.00 0.00 H new ATOM 108 N ILE A 12 1.389 2.126 -3.347 1.00 0.00 N ATOM 109 CA ILE A 12 0.770 3.345 -2.874 1.00 0.00 C ATOM 110 C ILE A 12 0.947 4.445 -3.925 1.00 0.00 C ATOM 111 O ILE A 12 2.039 4.982 -4.132 1.00 0.00 O ATOM 112 CB ILE A 12 1.298 3.768 -1.476 1.00 0.00 C ATOM 113 CG1 ILE A 12 0.479 4.932 -0.916 1.00 0.00 C ATOM 114 CG2 ILE A 12 2.776 4.128 -1.510 1.00 0.00 C ATOM 115 CD1 ILE A 12 0.899 5.346 0.479 1.00 0.00 C ATOM 0 H ILE A 12 2.383 2.208 -3.559 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.297 3.166 -2.738 1.00 0.00 H new ATOM 0 HB ILE A 12 1.184 2.908 -0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.573 5.788 -1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.574 4.652 -0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.103 4.418 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.353 3.266 -1.845 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.932 4.959 -2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.277 6.176 0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.779 4.504 1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.944 5.657 0.467 1.00 0.00 H new ATOM 127 N LEU A 13 -0.138 4.724 -4.629 1.00 0.00 N ATOM 128 CA LEU A 13 -0.120 5.645 -5.754 1.00 0.00 C ATOM 129 C LEU A 13 -0.633 7.018 -5.344 1.00 0.00 C ATOM 130 O LEU A 13 -1.661 7.130 -4.693 1.00 0.00 O ATOM 131 CB LEU A 13 -0.985 5.083 -6.884 1.00 0.00 C ATOM 132 CG LEU A 13 -0.541 3.723 -7.426 1.00 0.00 C ATOM 133 CD1 LEU A 13 -1.570 3.189 -8.407 1.00 0.00 C ATOM 134 CD2 LEU A 13 0.825 3.827 -8.088 1.00 0.00 C ATOM 0 H LEU A 13 -1.054 4.319 -4.437 1.00 0.00 H new ATOM 0 HA LEU A 13 0.909 5.756 -6.097 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.011 4.997 -6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.993 5.799 -7.706 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.461 3.027 -6.591 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.243 2.221 -8.786 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.529 3.076 -7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.677 3.887 -9.238 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.121 2.849 -8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.776 4.536 -8.914 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.558 4.171 -7.358 1.00 0.00 H new ATOM 146 N GLU A 14 0.075 8.061 -5.726 1.00 0.00 N ATOM 147 CA GLU A 14 -0.346 9.410 -5.388 1.00 0.00 C ATOM 148 C GLU A 14 -1.357 9.909 -6.409 1.00 0.00 C ATOM 149 O GLU A 14 -1.003 10.206 -7.548 1.00 0.00 O ATOM 150 CB GLU A 14 0.853 10.358 -5.322 1.00 0.00 C ATOM 151 CG GLU A 14 0.504 11.736 -4.778 1.00 0.00 C ATOM 152 CD GLU A 14 1.714 12.636 -4.651 1.00 0.00 C ATOM 153 OE1 GLU A 14 2.629 12.301 -3.867 1.00 0.00 O ATOM 154 OE2 GLU A 14 1.757 13.679 -5.336 1.00 0.00 O ATOM 0 H GLU A 14 0.938 8.005 -6.266 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.813 9.388 -4.404 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.625 9.913 -4.695 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.277 10.466 -6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.227 12.207 -5.435 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.032 11.628 -3.801 1.00 0.00 H new ATOM 161 N CYS A 15 -2.614 9.983 -6.005 1.00 0.00 N ATOM 162 CA CYS A 15 -3.663 10.442 -6.898 1.00 0.00 C ATOM 163 C CYS A 15 -3.575 11.951 -7.084 1.00 0.00 C ATOM 164 O CYS A 15 -2.954 12.647 -6.278 1.00 0.00 O ATOM 165 CB CYS A 15 -5.033 10.055 -6.345 1.00 0.00 C ATOM 166 SG CYS A 15 -5.219 8.286 -6.030 1.00 0.00 S ATOM 0 H CYS A 15 -2.931 9.732 -5.069 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.530 9.964 -7.868 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -5.207 10.600 -5.417 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.802 10.372 -7.050 1.00 0.00 H new ATOM 0 HG CYS A 15 -4.782 8.009 -4.838 1.00 0.00 H new ATOM 172 N LYS A 16 -4.215 12.453 -8.135 1.00 0.00 N ATOM 173 CA LYS A 16 -4.134 13.864 -8.497 1.00 0.00 C ATOM 174 C LYS A 16 -4.664 14.759 -7.380 1.00 0.00 C ATOM 175 O LYS A 16 -4.180 15.872 -7.179 1.00 0.00 O ATOM 176 CB LYS A 16 -4.913 14.108 -9.793 1.00 0.00 C ATOM 177 CG LYS A 16 -4.895 15.551 -10.264 1.00 0.00 C ATOM 178 CD LYS A 16 -5.463 15.678 -11.666 1.00 0.00 C ATOM 179 CE LYS A 16 -5.436 17.116 -12.154 1.00 0.00 C ATOM 180 NZ LYS A 16 -4.096 17.736 -11.986 1.00 0.00 N ATOM 0 H LYS A 16 -4.802 11.897 -8.757 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.085 14.119 -8.651 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.499 13.476 -10.578 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.948 13.798 -9.646 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.474 16.168 -9.577 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.873 15.929 -10.247 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.890 15.051 -12.349 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.488 15.309 -11.678 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.721 17.147 -13.206 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.176 17.699 -11.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.044 18.608 -12.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.942 17.962 -10.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.363 17.072 -12.308 1.00 0.00 H new ATOM 194 N ASP A 17 -5.647 14.262 -6.643 1.00 0.00 N ATOM 195 CA ASP A 17 -6.255 15.026 -5.564 1.00 0.00 C ATOM 196 C ASP A 17 -5.399 14.976 -4.302 1.00 0.00 C ATOM 197 O ASP A 17 -5.709 15.629 -3.306 1.00 0.00 O ATOM 198 CB ASP A 17 -7.665 14.509 -5.275 1.00 0.00 C ATOM 199 CG ASP A 17 -7.676 13.069 -4.805 1.00 0.00 C ATOM 200 OD1 ASP A 17 -7.272 12.183 -5.586 1.00 0.00 O ATOM 201 OD2 ASP A 17 -8.086 12.819 -3.654 1.00 0.00 O ATOM 0 H ASP A 17 -6.041 13.330 -6.773 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.321 16.066 -5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.129 15.138 -4.516 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.271 14.597 -6.176 1.00 0.00 H new ATOM 206 N GLY A 18 -4.314 14.211 -4.351 1.00 0.00 N ATOM 207 CA GLY A 18 -3.386 14.170 -3.237 1.00 0.00 C ATOM 208 C GLY A 18 -3.604 12.988 -2.314 1.00 0.00 C ATOM 209 O GLY A 18 -2.971 12.892 -1.262 1.00 0.00 O ATOM 0 H GLY A 18 -4.061 13.619 -5.142 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.367 14.136 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.479 15.092 -2.663 1.00 0.00 H new ATOM 213 N SER A 19 -4.497 12.091 -2.696 1.00 0.00 N ATOM 214 CA SER A 19 -4.760 10.903 -1.899 1.00 0.00 C ATOM 215 C SER A 19 -3.835 9.764 -2.308 1.00 0.00 C ATOM 216 O SER A 19 -3.817 9.355 -3.470 1.00 0.00 O ATOM 217 CB SER A 19 -6.218 10.475 -2.053 1.00 0.00 C ATOM 218 OG SER A 19 -7.098 11.514 -1.658 1.00 0.00 O ATOM 0 H SER A 19 -5.051 12.161 -3.550 1.00 0.00 H new ATOM 0 HA SER A 19 -4.570 11.144 -0.853 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.413 10.203 -3.090 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.405 9.586 -1.450 1.00 0.00 H new ATOM 0 HG SER A 19 -7.641 11.792 -2.425 1.00 0.00 H new ATOM 224 N TRP A 20 -3.056 9.264 -1.360 1.00 0.00 N ATOM 225 CA TRP A 20 -2.217 8.109 -1.622 1.00 0.00 C ATOM 226 C TRP A 20 -3.063 6.841 -1.627 1.00 0.00 C ATOM 227 O TRP A 20 -3.759 6.526 -0.658 1.00 0.00 O ATOM 228 CB TRP A 20 -1.071 7.991 -0.613 1.00 0.00 C ATOM 229 CG TRP A 20 -0.067 9.103 -0.702 1.00 0.00 C ATOM 230 CD1 TRP A 20 0.322 9.768 -1.830 1.00 0.00 C ATOM 231 CD2 TRP A 20 0.698 9.660 0.376 1.00 0.00 C ATOM 232 NE1 TRP A 20 1.269 10.715 -1.518 1.00 0.00 N ATOM 233 CE2 TRP A 20 1.518 10.667 -0.171 1.00 0.00 C ATOM 234 CE3 TRP A 20 0.766 9.410 1.748 1.00 0.00 C ATOM 235 CZ2 TRP A 20 2.393 11.419 0.608 1.00 0.00 C ATOM 236 CZ3 TRP A 20 1.635 10.159 2.519 1.00 0.00 C ATOM 237 CH2 TRP A 20 2.439 11.152 1.947 1.00 0.00 C ATOM 0 H TRP A 20 -2.989 9.637 -0.413 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.765 8.242 -2.605 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -1.487 7.970 0.394 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -0.561 7.040 -0.767 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -0.059 9.578 -2.823 1.00 0.00 H new ATOM 0 HE1 TRP A 20 1.714 11.350 -2.181 1.00 0.00 H new ATOM 0 HE3 TRP A 20 0.151 8.645 2.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 3.014 12.186 0.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 1.695 9.975 3.582 1.00 0.00 H new ATOM 0 HH2 TRP A 20 3.109 11.718 2.577 1.00 0.00 H new ATOM 248 N TYR A 21 -2.964 6.119 -2.723 1.00 0.00 N ATOM 249 CA TYR A 21 -3.804 4.966 -3.001 1.00 0.00 C ATOM 250 C TYR A 21 -3.129 3.709 -2.470 1.00 0.00 C ATOM 251 O TYR A 21 -2.185 3.211 -3.076 1.00 0.00 O ATOM 252 CB TYR A 21 -3.985 4.873 -4.520 1.00 0.00 C ATOM 253 CG TYR A 21 -5.168 4.062 -4.998 1.00 0.00 C ATOM 254 CD1 TYR A 21 -6.401 4.666 -5.204 1.00 0.00 C ATOM 255 CD2 TYR A 21 -5.044 2.709 -5.282 1.00 0.00 C ATOM 256 CE1 TYR A 21 -7.480 3.946 -5.678 1.00 0.00 C ATOM 257 CE2 TYR A 21 -6.122 1.978 -5.749 1.00 0.00 C ATOM 258 CZ TYR A 21 -7.335 2.603 -5.948 1.00 0.00 C ATOM 259 OH TYR A 21 -8.406 1.886 -6.430 1.00 0.00 O ATOM 0 H TYR A 21 -2.287 6.317 -3.460 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.775 5.066 -2.516 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.078 5.884 -4.917 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -3.079 4.444 -4.948 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.518 5.718 -4.990 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.092 2.220 -5.136 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.431 4.433 -5.836 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.014 0.924 -5.957 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.139 0.953 -6.570 1.00 0.00 H new ATOM 269 N THR A 22 -3.590 3.224 -1.330 1.00 0.00 N ATOM 270 CA THR A 22 -2.944 2.100 -0.670 1.00 0.00 C ATOM 271 C THR A 22 -3.730 0.805 -0.858 1.00 0.00 C ATOM 272 O THR A 22 -4.839 0.654 -0.338 1.00 0.00 O ATOM 273 CB THR A 22 -2.770 2.384 0.835 1.00 0.00 C ATOM 274 OG1 THR A 22 -2.147 3.665 1.004 1.00 0.00 O ATOM 275 CG2 THR A 22 -1.919 1.312 1.506 1.00 0.00 C ATOM 0 H THR A 22 -4.408 3.589 -0.842 1.00 0.00 H new ATOM 0 HA THR A 22 -1.965 1.974 -1.132 1.00 0.00 H new ATOM 0 HB THR A 22 -3.754 2.378 1.303 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.494 3.618 1.733 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.815 1.541 2.567 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.400 0.341 1.390 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.933 1.287 1.042 1.00 0.00 H new ATOM 283 N GLY A 23 -3.150 -0.112 -1.617 1.00 0.00 N ATOM 284 CA GLY A 23 -3.735 -1.423 -1.806 1.00 0.00 C ATOM 285 C GLY A 23 -2.748 -2.351 -2.473 1.00 0.00 C ATOM 286 O GLY A 23 -1.842 -1.891 -3.168 1.00 0.00 O ATOM 0 H GLY A 23 -2.270 0.032 -2.113 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.037 -1.835 -0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.635 -1.342 -2.415 1.00 0.00 H new ATOM 290 N TYR A 24 -2.885 -3.651 -2.265 1.00 0.00 N ATOM 291 CA TYR A 24 -1.945 -4.587 -2.861 1.00 0.00 C ATOM 292 C TYR A 24 -2.582 -5.365 -4.002 1.00 0.00 C ATOM 293 O TYR A 24 -3.775 -5.671 -3.982 1.00 0.00 O ATOM 294 CB TYR A 24 -1.350 -5.536 -1.811 1.00 0.00 C ATOM 295 CG TYR A 24 -2.280 -6.607 -1.280 1.00 0.00 C ATOM 296 CD1 TYR A 24 -3.077 -6.376 -0.169 1.00 0.00 C ATOM 297 CD2 TYR A 24 -2.334 -7.860 -1.875 1.00 0.00 C ATOM 298 CE1 TYR A 24 -3.907 -7.360 0.332 1.00 0.00 C ATOM 299 CE2 TYR A 24 -3.158 -8.852 -1.379 1.00 0.00 C ATOM 300 CZ TYR A 24 -3.943 -8.596 -0.277 1.00 0.00 C ATOM 301 OH TYR A 24 -4.759 -9.584 0.220 1.00 0.00 O ATOM 0 H TYR A 24 -3.621 -4.075 -1.701 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.126 -4.000 -3.276 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.477 -6.024 -2.244 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.997 -4.940 -0.970 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.048 -5.410 0.313 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.721 -8.063 -2.741 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.524 -7.162 1.196 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -3.186 -9.822 -1.853 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.665 -10.392 -0.327 1.00 0.00 H new ATOM 311 N THR A 25 -1.775 -5.658 -5.007 1.00 0.00 N ATOM 312 CA THR A 25 -2.219 -6.447 -6.141 1.00 0.00 C ATOM 313 C THR A 25 -1.758 -7.889 -5.983 1.00 0.00 C ATOM 314 O THR A 25 -0.652 -8.148 -5.502 1.00 0.00 O ATOM 315 CB THR A 25 -1.698 -5.867 -7.483 1.00 0.00 C ATOM 316 OG1 THR A 25 -2.055 -6.719 -8.583 1.00 0.00 O ATOM 317 CG2 THR A 25 -0.187 -5.688 -7.455 1.00 0.00 C ATOM 0 H THR A 25 -0.801 -5.358 -5.060 1.00 0.00 H new ATOM 0 HA THR A 25 -3.308 -6.412 -6.165 1.00 0.00 H new ATOM 0 HB THR A 25 -2.167 -4.892 -7.618 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.891 -7.187 -8.377 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.149 -5.280 -8.408 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.083 -5.003 -6.652 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.291 -6.653 -7.285 1.00 0.00 H new ATOM 325 N THR A 26 -2.634 -8.814 -6.331 1.00 0.00 N ATOM 326 CA THR A 26 -2.305 -10.227 -6.367 1.00 0.00 C ATOM 327 C THR A 26 -3.231 -10.905 -7.369 1.00 0.00 C ATOM 328 O THR A 26 -3.989 -11.822 -7.049 1.00 0.00 O ATOM 329 CB THR A 26 -2.442 -10.885 -4.975 1.00 0.00 C ATOM 330 OG1 THR A 26 -1.711 -10.123 -4.006 1.00 0.00 O ATOM 331 CG2 THR A 26 -1.906 -12.307 -4.989 1.00 0.00 C ATOM 0 H THR A 26 -3.596 -8.606 -6.597 1.00 0.00 H new ATOM 0 HA THR A 26 -1.264 -10.343 -6.669 1.00 0.00 H new ATOM 0 HB THR A 26 -3.500 -10.909 -4.715 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.184 -10.728 -3.443 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.014 -12.747 -3.997 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.466 -12.900 -5.712 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.852 -12.296 -5.268 1.00 0.00 H new ATOM 339 N ASP A 27 -3.168 -10.411 -8.589 1.00 0.00 N ATOM 340 CA ASP A 27 -4.077 -10.827 -9.641 1.00 0.00 C ATOM 341 C ASP A 27 -3.327 -11.049 -10.943 1.00 0.00 C ATOM 342 O ASP A 27 -2.281 -10.443 -11.176 1.00 0.00 O ATOM 343 CB ASP A 27 -5.186 -9.778 -9.827 1.00 0.00 C ATOM 344 CG ASP A 27 -4.652 -8.355 -9.895 1.00 0.00 C ATOM 345 OD1 ASP A 27 -4.511 -7.716 -8.825 1.00 0.00 O ATOM 346 OD2 ASP A 27 -4.373 -7.867 -11.008 1.00 0.00 O ATOM 0 H ASP A 27 -2.486 -9.710 -8.880 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.535 -11.772 -9.350 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.737 -9.998 -10.742 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.894 -9.856 -9.002 1.00 0.00 H new ATOM 351 N VAL A 28 -3.857 -11.934 -11.783 1.00 0.00 N ATOM 352 CA VAL A 28 -3.292 -12.170 -13.110 1.00 0.00 C ATOM 353 C VAL A 28 -3.348 -10.894 -13.945 1.00 0.00 C ATOM 354 O VAL A 28 -2.571 -10.708 -14.886 1.00 0.00 O ATOM 355 CB VAL A 28 -4.027 -13.321 -13.843 1.00 0.00 C ATOM 356 CG1 VAL A 28 -5.473 -12.944 -14.139 1.00 0.00 C ATOM 357 CG2 VAL A 28 -3.297 -13.710 -15.122 1.00 0.00 C ATOM 0 H VAL A 28 -4.678 -12.500 -11.569 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.251 -12.466 -12.980 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.032 -14.187 -13.181 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.966 -13.769 -14.654 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.994 -12.737 -13.204 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.495 -12.057 -14.771 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.834 -14.520 -15.616 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.246 -12.849 -15.788 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.287 -14.040 -14.878 1.00 0.00 H new ATOM 367 N ASP A 29 -4.249 -9.994 -13.563 1.00 0.00 N ATOM 368 CA ASP A 29 -4.441 -8.745 -14.272 1.00 0.00 C ATOM 369 C ASP A 29 -3.272 -7.800 -14.030 1.00 0.00 C ATOM 370 O ASP A 29 -3.191 -6.737 -14.645 1.00 0.00 O ATOM 371 CB ASP A 29 -5.739 -8.073 -13.828 1.00 0.00 C ATOM 372 CG ASP A 29 -6.954 -8.963 -13.983 1.00 0.00 C ATOM 373 OD1 ASP A 29 -7.476 -9.081 -15.112 1.00 0.00 O ATOM 374 OD2 ASP A 29 -7.400 -9.542 -12.971 1.00 0.00 O ATOM 0 H ASP A 29 -4.861 -10.114 -12.756 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.498 -8.970 -15.337 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.647 -7.773 -12.784 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.887 -7.163 -14.409 1.00 0.00 H new ATOM 379 N ARG A 30 -2.381 -8.176 -13.120 1.00 0.00 N ATOM 380 CA ARG A 30 -1.189 -7.389 -12.829 1.00 0.00 C ATOM 381 C ARG A 30 -0.388 -7.143 -14.099 1.00 0.00 C ATOM 382 O ARG A 30 -0.046 -6.006 -14.422 1.00 0.00 O ATOM 383 CB ARG A 30 -0.300 -8.113 -11.817 1.00 0.00 C ATOM 384 CG ARG A 30 0.921 -7.311 -11.401 1.00 0.00 C ATOM 385 CD ARG A 30 1.935 -8.176 -10.674 1.00 0.00 C ATOM 386 NE ARG A 30 2.701 -9.027 -11.586 1.00 0.00 N ATOM 387 CZ ARG A 30 3.049 -10.288 -11.326 1.00 0.00 C ATOM 388 NH1 ARG A 30 2.580 -10.907 -10.247 1.00 0.00 N ATOM 389 NH2 ARG A 30 3.854 -10.932 -12.158 1.00 0.00 N ATOM 0 H ARG A 30 -2.463 -9.029 -12.567 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.514 -6.436 -12.412 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.889 -8.349 -10.931 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.026 -9.061 -12.245 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.385 -6.869 -12.283 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.614 -6.488 -10.755 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.620 -7.537 -10.117 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.419 -8.801 -9.946 1.00 0.00 H new ATOM 0 HE ARG A 30 2.988 -8.629 -12.480 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.950 -10.417 -9.612 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.850 -11.871 -10.054 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.205 -10.463 -12.993 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.123 -11.896 -11.963 1.00 0.00 H new ATOM 403 N ARG A 31 -0.113 -8.222 -14.823 1.00 0.00 N ATOM 404 CA ARG A 31 0.739 -8.149 -16.000 1.00 0.00 C ATOM 405 C ARG A 31 0.040 -7.387 -17.122 1.00 0.00 C ATOM 406 O ARG A 31 0.617 -6.490 -17.731 1.00 0.00 O ATOM 407 CB ARG A 31 1.118 -9.549 -16.492 1.00 0.00 C ATOM 408 CG ARG A 31 1.751 -10.438 -15.429 1.00 0.00 C ATOM 409 CD ARG A 31 2.390 -11.671 -16.049 1.00 0.00 C ATOM 410 NE ARG A 31 3.543 -11.316 -16.875 1.00 0.00 N ATOM 411 CZ ARG A 31 3.634 -11.533 -18.184 1.00 0.00 C ATOM 412 NH1 ARG A 31 2.639 -12.115 -18.844 1.00 0.00 N ATOM 413 NH2 ARG A 31 4.725 -11.158 -18.835 1.00 0.00 N ATOM 0 H ARG A 31 -0.468 -9.155 -14.615 1.00 0.00 H new ATOM 0 HA ARG A 31 1.648 -7.618 -15.717 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.224 -10.041 -16.875 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.811 -9.452 -17.328 1.00 0.00 H new ATOM 0 HG2 ARG A 31 2.504 -9.872 -14.880 1.00 0.00 H new ATOM 0 HG3 ARG A 31 0.993 -10.742 -14.708 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.702 -12.356 -15.261 1.00 0.00 H new ATOM 0 HD3 ARG A 31 1.654 -12.198 -16.656 1.00 0.00 H new ATOM 0 HE ARG A 31 4.335 -10.869 -16.414 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.795 -12.400 -18.347 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.719 -12.277 -19.848 1.00 0.00 H new ATOM 0 HH21 ARG A 31 5.489 -10.706 -18.332 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.801 -11.321 -19.839 1.00 0.00 H new ATOM 427 N ILE A 32 -1.210 -7.754 -17.394 1.00 0.00 N ATOM 428 CA ILE A 32 -1.979 -7.122 -18.460 1.00 0.00 C ATOM 429 C ILE A 32 -2.164 -5.620 -18.203 1.00 0.00 C ATOM 430 O ILE A 32 -2.161 -4.823 -19.141 1.00 0.00 O ATOM 431 CB ILE A 32 -3.339 -7.831 -18.678 1.00 0.00 C ATOM 432 CG1 ILE A 32 -4.186 -7.098 -19.725 1.00 0.00 C ATOM 433 CG2 ILE A 32 -4.103 -7.972 -17.373 1.00 0.00 C ATOM 434 CD1 ILE A 32 -5.495 -7.793 -20.041 1.00 0.00 C ATOM 0 H ILE A 32 -1.711 -8.486 -16.890 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.406 -7.228 -19.381 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.128 -8.832 -19.055 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.396 -6.090 -19.369 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.607 -6.997 -20.643 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -5.053 -8.473 -17.560 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.515 -8.560 -16.669 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.291 -6.984 -16.953 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.041 -7.218 -20.789 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.293 -8.792 -20.428 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.094 -7.870 -19.134 1.00 0.00 H new ATOM 446 N LYS A 33 -2.297 -5.231 -16.932 1.00 0.00 N ATOM 447 CA LYS A 33 -2.344 -3.812 -16.579 1.00 0.00 C ATOM 448 C LYS A 33 -1.055 -3.118 -17.008 1.00 0.00 C ATOM 449 O LYS A 33 -1.084 -2.053 -17.628 1.00 0.00 O ATOM 450 CB LYS A 33 -2.565 -3.606 -15.073 1.00 0.00 C ATOM 451 CG LYS A 33 -4.018 -3.727 -14.632 1.00 0.00 C ATOM 452 CD LYS A 33 -4.195 -3.317 -13.175 1.00 0.00 C ATOM 453 CE LYS A 33 -3.754 -4.412 -12.211 1.00 0.00 C ATOM 454 NZ LYS A 33 -4.730 -5.533 -12.172 1.00 0.00 N ATOM 0 H LYS A 33 -2.373 -5.870 -16.141 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.190 -3.373 -17.107 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.969 -4.337 -14.527 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.194 -2.620 -14.794 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.645 -3.101 -15.266 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.356 -4.755 -14.766 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.620 -2.412 -12.982 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.242 -3.074 -12.992 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.777 -4.790 -12.511 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.640 -3.993 -11.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.223 -6.429 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.401 -5.382 -11.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.250 -5.572 -13.072 1.00 0.00 H new ATOM 468 N LYS A 34 0.074 -3.732 -16.678 1.00 0.00 N ATOM 469 CA LYS A 34 1.376 -3.210 -17.074 1.00 0.00 C ATOM 470 C LYS A 34 1.490 -3.155 -18.598 1.00 0.00 C ATOM 471 O LYS A 34 2.056 -2.218 -19.154 1.00 0.00 O ATOM 472 CB LYS A 34 2.499 -4.072 -16.487 1.00 0.00 C ATOM 473 CG LYS A 34 3.898 -3.622 -16.885 1.00 0.00 C ATOM 474 CD LYS A 34 4.191 -2.198 -16.427 1.00 0.00 C ATOM 475 CE LYS A 34 5.579 -1.745 -16.853 1.00 0.00 C ATOM 476 NZ LYS A 34 6.642 -2.598 -16.264 1.00 0.00 N ATOM 0 H LYS A 34 0.114 -4.595 -16.135 1.00 0.00 H new ATOM 0 HA LYS A 34 1.474 -2.197 -16.683 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.421 -4.061 -15.400 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.356 -5.104 -16.807 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.634 -4.300 -16.453 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.004 -3.684 -17.968 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.444 -1.521 -16.842 1.00 0.00 H new ATOM 0 HD3 LYS A 34 4.106 -2.140 -15.342 1.00 0.00 H new ATOM 0 HE2 LYS A 34 5.652 -1.772 -17.940 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.733 -0.710 -16.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.568 -2.146 -16.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.467 -2.717 -15.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.637 -3.529 -16.728 1.00 0.00 H new ATOM 490 N HIS A 35 0.931 -4.161 -19.263 1.00 0.00 N ATOM 491 CA HIS A 35 0.954 -4.230 -20.721 1.00 0.00 C ATOM 492 C HIS A 35 0.219 -3.034 -21.324 1.00 0.00 C ATOM 493 O HIS A 35 0.714 -2.391 -22.249 1.00 0.00 O ATOM 494 CB HIS A 35 0.324 -5.545 -21.196 1.00 0.00 C ATOM 495 CG HIS A 35 0.487 -5.807 -22.665 1.00 0.00 C ATOM 496 ND1 HIS A 35 -0.576 -5.888 -23.540 1.00 0.00 N ATOM 497 CD2 HIS A 35 1.598 -6.036 -23.404 1.00 0.00 C ATOM 498 CE1 HIS A 35 -0.125 -6.152 -24.752 1.00 0.00 C ATOM 499 NE2 HIS A 35 1.188 -6.244 -24.697 1.00 0.00 N ATOM 0 H HIS A 35 0.455 -4.943 -18.814 1.00 0.00 H new ATOM 0 HA HIS A 35 1.990 -4.199 -21.057 1.00 0.00 H new ATOM 0 HB2 HIS A 35 0.768 -6.370 -20.639 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -0.739 -5.534 -20.956 1.00 0.00 H new ATOM 0 HD2 HIS A 35 2.616 -6.052 -23.044 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.730 -6.272 -25.639 1.00 0.00 H new ATOM 0 HE2 HIS A 35 1.801 -6.439 -25.488 1.00 0.00 H new ATOM 508 N ALA A 36 -0.967 -2.741 -20.800 1.00 0.00 N ATOM 509 CA ALA A 36 -1.733 -1.574 -21.228 1.00 0.00 C ATOM 510 C ALA A 36 -0.974 -0.278 -20.940 1.00 0.00 C ATOM 511 O ALA A 36 -0.994 0.665 -21.734 1.00 0.00 O ATOM 512 CB ALA A 36 -3.092 -1.558 -20.547 1.00 0.00 C ATOM 0 H ALA A 36 -1.420 -3.298 -20.075 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.880 -1.642 -22.306 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.653 -0.683 -20.875 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.642 -2.461 -20.811 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.957 -1.518 -19.466 1.00 0.00 H new ATOM 518 N SER A 37 -0.297 -0.252 -19.797 1.00 0.00 N ATOM 519 CA SER A 37 0.471 0.914 -19.370 1.00 0.00 C ATOM 520 C SER A 37 1.783 1.022 -20.136 1.00 0.00 C ATOM 521 O SER A 37 2.476 2.038 -20.067 1.00 0.00 O ATOM 522 CB SER A 37 0.776 0.806 -17.882 1.00 0.00 C ATOM 523 OG SER A 37 -0.411 0.600 -17.134 1.00 0.00 O ATOM 0 H SER A 37 -0.264 -1.034 -19.143 1.00 0.00 H new ATOM 0 HA SER A 37 -0.126 1.803 -19.572 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.468 -0.018 -17.708 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.271 1.715 -17.542 1.00 0.00 H new ATOM 0 HG SER A 37 -0.719 -0.322 -17.257 1.00 0.00 H new ATOM 529 N GLY A 38 2.107 -0.036 -20.867 1.00 0.00 N ATOM 530 CA GLY A 38 3.369 -0.120 -21.573 1.00 0.00 C ATOM 531 C GLY A 38 3.438 0.777 -22.795 1.00 0.00 C ATOM 532 O GLY A 38 4.376 0.674 -23.589 1.00 0.00 O ATOM 0 H GLY A 38 1.505 -0.851 -20.984 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.177 0.145 -20.891 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.537 -1.152 -21.880 1.00 0.00 H new ATOM 536 N LYS A 39 2.415 1.618 -22.958 1.00 0.00 N ATOM 537 CA LYS A 39 2.318 2.552 -24.077 1.00 0.00 C ATOM 538 C LYS A 39 1.978 1.781 -25.347 1.00 0.00 C ATOM 539 O LYS A 39 2.844 1.485 -26.171 1.00 0.00 O ATOM 540 CB LYS A 39 3.620 3.367 -24.246 1.00 0.00 C ATOM 541 CG LYS A 39 3.428 4.777 -24.794 1.00 0.00 C ATOM 542 CD LYS A 39 3.001 4.777 -26.251 1.00 0.00 C ATOM 543 CE LYS A 39 2.936 6.190 -26.814 1.00 0.00 C ATOM 544 NZ LYS A 39 4.270 6.851 -26.823 1.00 0.00 N ATOM 0 H LYS A 39 1.627 1.669 -22.313 1.00 0.00 H new ATOM 0 HA LYS A 39 1.523 3.269 -23.872 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.118 3.433 -23.279 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.289 2.822 -24.912 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.678 5.297 -24.198 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.359 5.334 -24.691 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.703 4.183 -26.837 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.025 4.302 -26.345 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.541 6.157 -27.829 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.241 6.785 -26.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.237 7.692 -27.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.523 7.136 -25.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.984 6.188 -27.187 1.00 0.00 H new ATOM 558 N GLY A 40 0.709 1.416 -25.465 1.00 0.00 N ATOM 559 CA GLY A 40 0.240 0.668 -26.611 1.00 0.00 C ATOM 560 C GLY A 40 -0.933 -0.217 -26.247 1.00 0.00 C ATOM 561 O GLY A 40 -1.789 0.191 -25.457 1.00 0.00 O ATOM 0 H GLY A 40 -0.012 1.629 -24.776 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.054 1.357 -27.403 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.051 0.056 -27.006 1.00 0.00 H new ATOM 565 N ALA A 41 -0.955 -1.421 -26.818 1.00 0.00 N ATOM 566 CA ALA A 41 -1.992 -2.420 -26.544 1.00 0.00 C ATOM 567 C ALA A 41 -3.381 -1.919 -26.937 1.00 0.00 C ATOM 568 O ALA A 41 -3.800 -2.067 -28.088 1.00 0.00 O ATOM 569 CB ALA A 41 -1.959 -2.847 -25.077 1.00 0.00 C ATOM 0 H ALA A 41 -0.251 -1.734 -27.487 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.777 -3.293 -27.161 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.737 -3.589 -24.896 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.985 -3.279 -24.846 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.131 -1.978 -24.441 1.00 0.00 H new ATOM 575 N LYS A 42 -4.081 -1.311 -25.994 1.00 0.00 N ATOM 576 CA LYS A 42 -5.423 -0.823 -26.244 1.00 0.00 C ATOM 577 C LYS A 42 -5.502 0.669 -25.970 1.00 0.00 C ATOM 578 O LYS A 42 -5.335 1.116 -24.831 1.00 0.00 O ATOM 579 CB LYS A 42 -6.446 -1.577 -25.392 1.00 0.00 C ATOM 580 CG LYS A 42 -7.887 -1.189 -25.683 1.00 0.00 C ATOM 581 CD LYS A 42 -8.868 -2.083 -24.951 1.00 0.00 C ATOM 582 CE LYS A 42 -10.304 -1.765 -25.335 1.00 0.00 C ATOM 583 NZ LYS A 42 -11.261 -2.745 -24.763 1.00 0.00 N ATOM 0 H LYS A 42 -3.740 -1.144 -25.047 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.660 -0.999 -27.293 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.326 -2.648 -25.559 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.235 -1.393 -24.339 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.051 -0.152 -25.389 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.070 -1.249 -26.756 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.652 -3.127 -25.180 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.742 -1.960 -23.875 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.559 -0.764 -24.988 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.396 -1.759 -26.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.229 -2.492 -25.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -11.034 -3.697 -25.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -11.192 -2.733 -23.725 1.00 0.00 H new ATOM 597 N TYR A 43 -5.734 1.436 -27.020 1.00 0.00 N ATOM 598 CA TYR A 43 -5.845 2.876 -26.906 1.00 0.00 C ATOM 599 C TYR A 43 -7.257 3.277 -26.496 1.00 0.00 C ATOM 600 O TYR A 43 -8.231 2.951 -27.172 1.00 0.00 O ATOM 601 CB TYR A 43 -5.472 3.535 -28.230 1.00 0.00 C ATOM 602 CG TYR A 43 -5.607 5.041 -28.223 1.00 0.00 C ATOM 603 CD1 TYR A 43 -4.759 5.827 -27.457 1.00 0.00 C ATOM 604 CD2 TYR A 43 -6.575 5.673 -28.992 1.00 0.00 C ATOM 605 CE1 TYR A 43 -4.874 7.203 -27.454 1.00 0.00 C ATOM 606 CE2 TYR A 43 -6.696 7.048 -28.996 1.00 0.00 C ATOM 607 CZ TYR A 43 -5.841 7.808 -28.225 1.00 0.00 C ATOM 608 OH TYR A 43 -5.951 9.180 -28.233 1.00 0.00 O ATOM 0 H TYR A 43 -5.850 1.080 -27.969 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.155 3.216 -26.134 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -4.443 3.273 -28.478 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -6.104 3.127 -29.019 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.997 5.356 -26.854 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.244 5.079 -29.597 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.209 7.802 -26.850 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.455 7.525 -29.598 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.682 9.446 -28.829 1.00 0.00 H new ATOM 618 N THR A 44 -7.353 3.963 -25.370 1.00 0.00 N ATOM 619 CA THR A 44 -8.629 4.449 -24.878 1.00 0.00 C ATOM 620 C THR A 44 -8.404 5.610 -23.913 1.00 0.00 C ATOM 621 O THR A 44 -9.320 6.017 -23.194 1.00 0.00 O ATOM 622 CB THR A 44 -9.409 3.310 -24.176 1.00 0.00 C ATOM 623 OG1 THR A 44 -10.698 3.766 -23.754 1.00 0.00 O ATOM 624 CG2 THR A 44 -8.638 2.775 -22.981 1.00 0.00 C ATOM 0 H THR A 44 -6.557 4.197 -24.777 1.00 0.00 H new ATOM 0 HA THR A 44 -9.221 4.800 -25.723 1.00 0.00 H new ATOM 0 HB THR A 44 -9.536 2.503 -24.898 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.631 4.692 -23.441 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.209 1.977 -22.507 1.00 0.00 H new ATOM 0 HG22 THR A 44 -7.676 2.385 -23.314 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.475 3.579 -22.264 1.00 0.00 H new ATOM 632 N ARG A 45 -7.175 6.154 -23.946 1.00 0.00 N ATOM 633 CA ARG A 45 -6.716 7.203 -23.020 1.00 0.00 C ATOM 634 C ARG A 45 -7.162 6.937 -21.576 1.00 0.00 C ATOM 635 O ARG A 45 -7.378 5.790 -21.185 1.00 0.00 O ATOM 636 CB ARG A 45 -7.131 8.614 -23.492 1.00 0.00 C ATOM 637 CG ARG A 45 -8.606 8.794 -23.816 1.00 0.00 C ATOM 638 CD ARG A 45 -8.909 10.223 -24.232 1.00 0.00 C ATOM 639 NE ARG A 45 -10.283 10.378 -24.709 1.00 0.00 N ATOM 640 CZ ARG A 45 -11.037 11.453 -24.489 1.00 0.00 C ATOM 641 NH1 ARG A 45 -10.568 12.465 -23.768 1.00 0.00 N ATOM 642 NH2 ARG A 45 -12.264 11.519 -24.997 1.00 0.00 N ATOM 0 H ARG A 45 -6.465 5.875 -24.623 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.627 7.168 -23.028 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.858 9.331 -22.718 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -6.550 8.866 -24.379 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -8.891 8.112 -24.617 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.207 8.531 -22.945 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.742 10.889 -23.386 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.217 10.526 -25.018 1.00 0.00 H new ATOM 0 HE ARG A 45 -10.690 9.612 -25.246 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.626 12.421 -23.380 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.150 13.286 -23.603 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.627 10.746 -25.555 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.842 12.342 -24.829 1.00 0.00 H new ATOM 656 N GLY A 46 -7.242 7.997 -20.775 1.00 0.00 N ATOM 657 CA GLY A 46 -7.628 7.852 -19.381 1.00 0.00 C ATOM 658 C GLY A 46 -6.571 7.128 -18.562 1.00 0.00 C ATOM 659 O GLY A 46 -6.889 6.433 -17.598 1.00 0.00 O ATOM 0 H GLY A 46 -7.046 8.955 -21.067 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.805 8.838 -18.951 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -8.569 7.304 -19.322 1.00 0.00 H new ATOM 663 N ARG A 47 -5.311 7.311 -18.938 1.00 0.00 N ATOM 664 CA ARG A 47 -4.205 6.641 -18.272 1.00 0.00 C ATOM 665 C ARG A 47 -3.582 7.569 -17.239 1.00 0.00 C ATOM 666 O ARG A 47 -2.511 8.139 -17.450 1.00 0.00 O ATOM 667 CB ARG A 47 -3.153 6.182 -19.291 1.00 0.00 C ATOM 668 CG ARG A 47 -3.661 5.123 -20.261 1.00 0.00 C ATOM 669 CD ARG A 47 -2.613 4.776 -21.307 1.00 0.00 C ATOM 670 NE ARG A 47 -3.085 3.755 -22.244 1.00 0.00 N ATOM 671 CZ ARG A 47 -2.596 3.592 -23.476 1.00 0.00 C ATOM 672 NH1 ARG A 47 -1.659 4.415 -23.938 1.00 0.00 N ATOM 673 NH2 ARG A 47 -3.054 2.621 -24.255 1.00 0.00 N ATOM 0 H ARG A 47 -5.031 7.922 -19.705 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.589 5.756 -17.764 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.808 7.046 -19.859 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.289 5.787 -18.756 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.937 4.225 -19.709 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.564 5.483 -20.754 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.341 5.676 -21.859 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.710 4.422 -20.810 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.832 3.131 -21.938 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.312 5.173 -23.351 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.288 4.288 -24.879 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.783 1.995 -23.914 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.677 2.501 -25.195 1.00 0.00 H new ATOM 687 N GLY A 48 -4.300 7.752 -16.149 1.00 0.00 N ATOM 688 CA GLY A 48 -3.838 8.597 -15.071 1.00 0.00 C ATOM 689 C GLY A 48 -4.869 8.667 -13.965 1.00 0.00 C ATOM 690 O GLY A 48 -5.744 7.804 -13.896 1.00 0.00 O ATOM 0 H GLY A 48 -5.211 7.323 -15.988 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.899 8.209 -14.675 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.635 9.599 -15.449 1.00 0.00 H new ATOM 694 N PRO A 49 -4.804 9.672 -13.078 1.00 0.00 N ATOM 695 CA PRO A 49 -3.752 10.678 -13.042 1.00 0.00 C ATOM 696 C PRO A 49 -2.765 10.430 -11.902 1.00 0.00 C ATOM 697 O PRO A 49 -2.156 11.362 -11.374 1.00 0.00 O ATOM 698 CB PRO A 49 -4.567 11.938 -12.765 1.00 0.00 C ATOM 699 CG PRO A 49 -5.771 11.477 -11.981 1.00 0.00 C ATOM 700 CD PRO A 49 -5.808 9.967 -12.058 1.00 0.00 C ATOM 0 HA PRO A 49 -3.141 10.705 -13.945 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.985 12.665 -12.198 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.866 12.424 -13.694 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.704 11.807 -10.944 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.685 11.905 -12.393 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.561 9.507 -11.101 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -6.794 9.600 -12.343 1.00 0.00 H new ATOM 708 N PHE A 50 -2.609 9.168 -11.534 1.00 0.00 N ATOM 709 CA PHE A 50 -1.851 8.799 -10.347 1.00 0.00 C ATOM 710 C PHE A 50 -0.342 8.812 -10.587 1.00 0.00 C ATOM 711 O PHE A 50 0.137 8.577 -11.698 1.00 0.00 O ATOM 712 CB PHE A 50 -2.290 7.413 -9.854 1.00 0.00 C ATOM 713 CG PHE A 50 -2.127 6.315 -10.871 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.941 5.600 -10.960 1.00 0.00 C ATOM 715 CD2 PHE A 50 -3.162 5.994 -11.736 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.791 4.594 -11.894 1.00 0.00 C ATOM 717 CE2 PHE A 50 -3.016 4.988 -12.671 1.00 0.00 C ATOM 718 CZ PHE A 50 -1.830 4.286 -12.750 1.00 0.00 C ATOM 0 H PHE A 50 -3.000 8.376 -12.044 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.063 9.549 -9.585 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.714 7.157 -8.965 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.337 7.462 -9.553 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.126 5.833 -10.291 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.094 6.537 -11.678 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.139 4.048 -11.955 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -3.830 4.751 -13.340 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.715 3.498 -13.479 1.00 0.00 H new ATOM 728 N ARG A 51 0.388 9.143 -9.530 1.00 0.00 N ATOM 729 CA ARG A 51 1.834 8.968 -9.480 1.00 0.00 C ATOM 730 C ARG A 51 2.136 7.737 -8.629 1.00 0.00 C ATOM 731 O ARG A 51 1.220 7.106 -8.116 1.00 0.00 O ATOM 732 CB ARG A 51 2.519 10.195 -8.864 1.00 0.00 C ATOM 733 CG ARG A 51 2.961 11.268 -9.856 1.00 0.00 C ATOM 734 CD ARG A 51 1.793 11.972 -10.533 1.00 0.00 C ATOM 735 NE ARG A 51 1.267 11.213 -11.662 1.00 0.00 N ATOM 736 CZ ARG A 51 1.073 11.724 -12.878 1.00 0.00 C ATOM 737 NH1 ARG A 51 1.388 12.992 -13.136 1.00 0.00 N ATOM 738 NH2 ARG A 51 0.579 10.956 -13.838 1.00 0.00 N ATOM 0 H ARG A 51 -0.008 9.542 -8.679 1.00 0.00 H new ATOM 0 HA ARG A 51 2.215 8.844 -10.494 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.836 10.648 -8.146 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.393 9.859 -8.305 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.571 12.007 -9.336 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.594 10.812 -10.618 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.998 12.134 -9.805 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.115 12.955 -10.877 1.00 0.00 H new ATOM 0 HE ARG A 51 1.033 10.232 -11.512 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.781 13.580 -12.401 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.237 13.375 -14.069 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.350 9.981 -13.644 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.428 11.340 -14.771 1.00 0.00 H new ATOM 752 N LEU A 52 3.404 7.404 -8.464 1.00 0.00 N ATOM 753 CA LEU A 52 3.776 6.270 -7.627 1.00 0.00 C ATOM 754 C LEU A 52 4.764 6.715 -6.557 1.00 0.00 C ATOM 755 O LEU A 52 5.772 7.352 -6.859 1.00 0.00 O ATOM 756 CB LEU A 52 4.352 5.135 -8.492 1.00 0.00 C ATOM 757 CG LEU A 52 4.692 3.828 -7.761 1.00 0.00 C ATOM 758 CD1 LEU A 52 4.602 2.650 -8.719 1.00 0.00 C ATOM 759 CD2 LEU A 52 6.086 3.884 -7.150 1.00 0.00 C ATOM 0 H LEU A 52 4.189 7.895 -8.892 1.00 0.00 H new ATOM 0 HA LEU A 52 2.888 5.885 -7.125 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.635 4.909 -9.281 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.257 5.501 -8.978 1.00 0.00 H new ATOM 0 HG LEU A 52 3.968 3.699 -6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.845 1.730 -8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.590 2.582 -9.118 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.306 2.793 -9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.298 2.944 -6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.822 4.043 -7.938 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.137 4.705 -6.435 1.00 0.00 H new ATOM 771 N VAL A 53 4.459 6.400 -5.308 1.00 0.00 N ATOM 772 CA VAL A 53 5.319 6.784 -4.196 1.00 0.00 C ATOM 773 C VAL A 53 6.252 5.636 -3.823 1.00 0.00 C ATOM 774 O VAL A 53 7.472 5.794 -3.804 1.00 0.00 O ATOM 775 CB VAL A 53 4.491 7.203 -2.961 1.00 0.00 C ATOM 776 CG1 VAL A 53 5.395 7.696 -1.842 1.00 0.00 C ATOM 777 CG2 VAL A 53 3.470 8.270 -3.334 1.00 0.00 C ATOM 0 H VAL A 53 3.624 5.880 -5.037 1.00 0.00 H new ATOM 0 HA VAL A 53 5.911 7.640 -4.519 1.00 0.00 H new ATOM 0 HB VAL A 53 3.955 6.325 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.788 7.985 -0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.080 6.900 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.966 8.557 -2.189 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.898 8.551 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.986 9.147 -3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.794 7.877 -4.094 1.00 0.00 H new ATOM 787 N ALA A 54 5.674 4.473 -3.551 1.00 0.00 N ATOM 788 CA ALA A 54 6.457 3.307 -3.166 1.00 0.00 C ATOM 789 C ALA A 54 5.710 2.020 -3.488 1.00 0.00 C ATOM 790 O ALA A 54 4.512 2.045 -3.789 1.00 0.00 O ATOM 791 CB ALA A 54 6.790 3.356 -1.683 1.00 0.00 C ATOM 0 H ALA A 54 4.667 4.313 -3.590 1.00 0.00 H new ATOM 0 HA ALA A 54 7.385 3.321 -3.738 1.00 0.00 H new ATOM 0 HB1 ALA A 54 7.375 2.477 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.366 4.256 -1.469 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.867 3.370 -1.103 1.00 0.00 H new ATOM 797 N THR A 55 6.426 0.903 -3.443 1.00 0.00 N ATOM 798 CA THR A 55 5.836 -0.404 -3.672 1.00 0.00 C ATOM 799 C THR A 55 6.490 -1.449 -2.768 1.00 0.00 C ATOM 800 O THR A 55 7.716 -1.525 -2.680 1.00 0.00 O ATOM 801 CB THR A 55 5.995 -0.827 -5.145 1.00 0.00 C ATOM 802 OG1 THR A 55 5.564 0.235 -6.005 1.00 0.00 O ATOM 803 CG2 THR A 55 5.184 -2.080 -5.442 1.00 0.00 C ATOM 0 H THR A 55 7.427 0.881 -3.248 1.00 0.00 H new ATOM 0 HA THR A 55 4.774 -0.338 -3.437 1.00 0.00 H new ATOM 0 HB THR A 55 7.048 -1.043 -5.326 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.669 -0.039 -6.940 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.313 -2.358 -6.488 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.527 -2.895 -4.805 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.130 -1.886 -5.246 1.00 0.00 H new ATOM 811 N TRP A 56 5.671 -2.233 -2.088 1.00 0.00 N ATOM 812 CA TRP A 56 6.156 -3.293 -1.216 1.00 0.00 C ATOM 813 C TRP A 56 5.861 -4.653 -1.834 1.00 0.00 C ATOM 814 O TRP A 56 4.914 -4.792 -2.603 1.00 0.00 O ATOM 815 CB TRP A 56 5.494 -3.195 0.162 1.00 0.00 C ATOM 816 CG TRP A 56 5.939 -2.010 0.963 1.00 0.00 C ATOM 817 CD1 TRP A 56 6.923 -1.992 1.904 1.00 0.00 C ATOM 818 CD2 TRP A 56 5.417 -0.676 0.899 1.00 0.00 C ATOM 819 NE1 TRP A 56 7.050 -0.732 2.432 1.00 0.00 N ATOM 820 CE2 TRP A 56 6.136 0.096 1.832 1.00 0.00 C ATOM 821 CE3 TRP A 56 4.415 -0.059 0.146 1.00 0.00 C ATOM 822 CZ2 TRP A 56 5.887 1.453 2.029 1.00 0.00 C ATOM 823 CZ3 TRP A 56 4.165 1.286 0.344 1.00 0.00 C ATOM 824 CH2 TRP A 56 4.899 2.028 1.279 1.00 0.00 C ATOM 0 H TRP A 56 4.655 -2.155 -2.123 1.00 0.00 H new ATOM 0 HA TRP A 56 7.234 -3.179 -1.098 1.00 0.00 H new ATOM 0 HB2 TRP A 56 4.413 -3.149 0.033 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.710 -4.104 0.724 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.518 -2.846 2.193 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.716 -0.456 3.154 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.846 -0.623 -0.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.453 2.028 2.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 3.391 1.773 -0.231 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.679 3.077 1.410 1.00 0.00 H new ATOM 835 N ALA A 57 6.667 -5.646 -1.510 1.00 0.00 N ATOM 836 CA ALA A 57 6.466 -6.986 -2.035 1.00 0.00 C ATOM 837 C ALA A 57 6.597 -8.033 -0.935 1.00 0.00 C ATOM 838 O ALA A 57 7.667 -8.206 -0.358 1.00 0.00 O ATOM 839 CB ALA A 57 7.461 -7.266 -3.152 1.00 0.00 C ATOM 0 H ALA A 57 7.468 -5.552 -0.886 1.00 0.00 H new ATOM 0 HA ALA A 57 5.455 -7.045 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.301 -8.273 -3.538 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.319 -6.543 -3.955 1.00 0.00 H new ATOM 0 HB3 ALA A 57 8.476 -7.183 -2.764 1.00 0.00 H new ATOM 845 N PHE A 58 5.508 -8.732 -0.648 1.00 0.00 N ATOM 846 CA PHE A 58 5.521 -9.784 0.360 1.00 0.00 C ATOM 847 C PHE A 58 4.991 -11.078 -0.235 1.00 0.00 C ATOM 848 O PHE A 58 3.983 -11.079 -0.939 1.00 0.00 O ATOM 849 CB PHE A 58 4.677 -9.396 1.576 1.00 0.00 C ATOM 850 CG PHE A 58 5.014 -8.044 2.140 1.00 0.00 C ATOM 851 CD1 PHE A 58 6.176 -7.852 2.872 1.00 0.00 C ATOM 852 CD2 PHE A 58 4.167 -6.967 1.942 1.00 0.00 C ATOM 853 CE1 PHE A 58 6.489 -6.610 3.389 1.00 0.00 C ATOM 854 CE2 PHE A 58 4.472 -5.725 2.456 1.00 0.00 C ATOM 855 CZ PHE A 58 5.632 -5.546 3.184 1.00 0.00 C ATOM 0 H PHE A 58 4.604 -8.590 -1.099 1.00 0.00 H new ATOM 0 HA PHE A 58 6.551 -9.925 0.687 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.624 -9.410 1.295 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.810 -10.148 2.354 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.844 -8.684 3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.256 -7.102 1.378 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.400 -6.471 3.951 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.804 -4.892 2.290 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.869 -4.575 3.593 1.00 0.00 H new ATOM 865 N PRO A 59 5.671 -12.197 0.021 1.00 0.00 N ATOM 866 CA PRO A 59 5.246 -13.503 -0.475 1.00 0.00 C ATOM 867 C PRO A 59 4.106 -14.092 0.353 1.00 0.00 C ATOM 868 O PRO A 59 3.364 -14.953 -0.118 1.00 0.00 O ATOM 869 CB PRO A 59 6.505 -14.351 -0.331 1.00 0.00 C ATOM 870 CG PRO A 59 7.223 -13.758 0.832 1.00 0.00 C ATOM 871 CD PRO A 59 6.923 -12.284 0.804 1.00 0.00 C ATOM 0 HA PRO A 59 4.860 -13.454 -1.493 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.260 -15.398 -0.154 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.114 -14.314 -1.234 1.00 0.00 H new ATOM 0 HG2 PRO A 59 6.886 -14.206 1.767 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.296 -13.938 0.760 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.796 -11.882 1.809 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.729 -11.720 0.335 1.00 0.00 H new ATOM 879 N SER A 60 3.952 -13.596 1.573 1.00 0.00 N ATOM 880 CA SER A 60 2.979 -14.147 2.499 1.00 0.00 C ATOM 881 C SER A 60 1.618 -13.479 2.334 1.00 0.00 C ATOM 882 O SER A 60 1.505 -12.251 2.342 1.00 0.00 O ATOM 883 CB SER A 60 3.484 -13.990 3.933 1.00 0.00 C ATOM 884 OG SER A 60 4.727 -14.649 4.103 1.00 0.00 O ATOM 0 H SER A 60 4.490 -12.812 1.942 1.00 0.00 H new ATOM 0 HA SER A 60 2.854 -15.207 2.278 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.592 -12.932 4.171 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.752 -14.400 4.628 1.00 0.00 H new ATOM 0 HG SER A 60 5.034 -14.535 5.027 1.00 0.00 H new ATOM 890 N LYS A 61 0.591 -14.306 2.163 1.00 0.00 N ATOM 891 CA LYS A 61 -0.782 -13.833 2.043 1.00 0.00 C ATOM 892 C LYS A 61 -1.201 -13.106 3.313 1.00 0.00 C ATOM 893 O LYS A 61 -1.794 -12.027 3.263 1.00 0.00 O ATOM 894 CB LYS A 61 -1.721 -15.016 1.766 1.00 0.00 C ATOM 895 CG LYS A 61 -3.179 -14.618 1.574 1.00 0.00 C ATOM 896 CD LYS A 61 -4.044 -15.805 1.161 1.00 0.00 C ATOM 897 CE LYS A 61 -4.475 -16.671 2.344 1.00 0.00 C ATOM 898 NZ LYS A 61 -3.331 -17.322 3.038 1.00 0.00 N ATOM 0 H LYS A 61 0.688 -15.320 2.104 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.845 -13.134 1.209 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.377 -15.538 0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.654 -15.722 2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.564 -14.193 2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.246 -13.839 0.815 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.931 -15.439 0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.492 -16.420 0.450 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.022 -16.055 3.057 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.164 -17.439 1.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.658 -18.192 3.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.593 -17.558 2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -2.942 -16.672 3.750 1.00 0.00 H new ATOM 912 N GLU A 62 -0.865 -13.704 4.449 1.00 0.00 N ATOM 913 CA GLU A 62 -1.216 -13.155 5.751 1.00 0.00 C ATOM 914 C GLU A 62 -0.512 -11.825 5.981 1.00 0.00 C ATOM 915 O GLU A 62 -1.087 -10.904 6.557 1.00 0.00 O ATOM 916 CB GLU A 62 -0.850 -14.147 6.860 1.00 0.00 C ATOM 917 CG GLU A 62 -1.852 -15.281 7.038 1.00 0.00 C ATOM 918 CD GLU A 62 -2.172 -16.005 5.747 1.00 0.00 C ATOM 919 OE1 GLU A 62 -1.362 -16.837 5.301 1.00 0.00 O ATOM 920 OE2 GLU A 62 -3.234 -15.731 5.158 1.00 0.00 O ATOM 0 H GLU A 62 -0.344 -14.580 4.493 1.00 0.00 H new ATOM 0 HA GLU A 62 -2.292 -12.983 5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.129 -14.573 6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.760 -13.605 7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.457 -15.996 7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.774 -14.880 7.460 1.00 0.00 H new ATOM 927 N GLU A 63 0.725 -11.735 5.513 1.00 0.00 N ATOM 928 CA GLU A 63 1.507 -10.512 5.640 1.00 0.00 C ATOM 929 C GLU A 63 0.852 -9.385 4.850 1.00 0.00 C ATOM 930 O GLU A 63 0.681 -8.277 5.354 1.00 0.00 O ATOM 931 CB GLU A 63 2.928 -10.741 5.125 1.00 0.00 C ATOM 932 CG GLU A 63 3.900 -9.636 5.498 1.00 0.00 C ATOM 933 CD GLU A 63 4.230 -9.631 6.974 1.00 0.00 C ATOM 934 OE1 GLU A 63 3.476 -9.020 7.757 1.00 0.00 O ATOM 935 OE2 GLU A 63 5.244 -10.251 7.361 1.00 0.00 O ATOM 0 H GLU A 63 1.211 -12.497 5.040 1.00 0.00 H new ATOM 0 HA GLU A 63 1.548 -10.233 6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.299 -11.687 5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.900 -10.837 4.040 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.819 -9.755 4.924 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.473 -8.672 5.221 1.00 0.00 H new ATOM 942 N ALA A 64 0.473 -9.692 3.614 1.00 0.00 N ATOM 943 CA ALA A 64 -0.142 -8.713 2.726 1.00 0.00 C ATOM 944 C ALA A 64 -1.452 -8.184 3.300 1.00 0.00 C ATOM 945 O ALA A 64 -1.686 -6.974 3.315 1.00 0.00 O ATOM 946 CB ALA A 64 -0.377 -9.317 1.354 1.00 0.00 C ATOM 0 H ALA A 64 0.582 -10.619 3.202 1.00 0.00 H new ATOM 0 HA ALA A 64 0.546 -7.873 2.631 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -0.837 -8.573 0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.575 -9.634 0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.038 -10.179 1.444 1.00 0.00 H new ATOM 952 N MET A 65 -2.298 -9.092 3.778 1.00 0.00 N ATOM 953 CA MET A 65 -3.580 -8.703 4.355 1.00 0.00 C ATOM 954 C MET A 65 -3.365 -7.879 5.618 1.00 0.00 C ATOM 955 O MET A 65 -4.026 -6.862 5.820 1.00 0.00 O ATOM 956 CB MET A 65 -4.442 -9.930 4.670 1.00 0.00 C ATOM 957 CG MET A 65 -4.888 -10.699 3.435 1.00 0.00 C ATOM 958 SD MET A 65 -6.039 -12.038 3.820 1.00 0.00 S ATOM 959 CE MET A 65 -5.054 -13.025 4.945 1.00 0.00 C ATOM 0 H MET A 65 -2.120 -10.096 3.777 1.00 0.00 H new ATOM 0 HA MET A 65 -4.107 -8.096 3.619 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.880 -10.600 5.321 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.323 -9.610 5.226 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.361 -10.010 2.735 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.012 -11.112 2.934 1.00 0.00 H new ATOM 0 HE1 MET A 65 -5.556 -13.974 5.131 1.00 0.00 H new ATOM 0 HE2 MET A 65 -4.075 -13.212 4.503 1.00 0.00 H new ATOM 0 HE3 MET A 65 -4.931 -12.489 5.886 1.00 0.00 H new ATOM 969 N ARG A 66 -2.430 -8.322 6.451 1.00 0.00 N ATOM 970 CA ARG A 66 -2.087 -7.619 7.684 1.00 0.00 C ATOM 971 C ARG A 66 -1.584 -6.209 7.391 1.00 0.00 C ATOM 972 O ARG A 66 -2.065 -5.237 7.973 1.00 0.00 O ATOM 973 CB ARG A 66 -1.010 -8.394 8.451 1.00 0.00 C ATOM 974 CG ARG A 66 -0.353 -7.586 9.558 1.00 0.00 C ATOM 975 CD ARG A 66 0.882 -8.283 10.097 1.00 0.00 C ATOM 976 NE ARG A 66 1.700 -7.389 10.913 1.00 0.00 N ATOM 977 CZ ARG A 66 2.915 -7.699 11.357 1.00 0.00 C ATOM 978 NH1 ARG A 66 3.452 -8.878 11.064 1.00 0.00 N ATOM 979 NH2 ARG A 66 3.600 -6.831 12.084 1.00 0.00 N ATOM 0 H ARG A 66 -1.891 -9.173 6.293 1.00 0.00 H new ATOM 0 HA ARG A 66 -2.990 -7.548 8.291 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.456 -9.290 8.882 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.244 -8.725 7.750 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -0.080 -6.601 9.178 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.066 -7.429 10.367 1.00 0.00 H new ATOM 0 HD2 ARG A 66 0.581 -9.145 10.693 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.477 -8.662 9.266 1.00 0.00 H new ATOM 0 HE ARG A 66 1.318 -6.475 11.156 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.933 -9.548 10.497 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.384 -9.113 11.406 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.197 -5.921 12.306 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.531 -7.072 12.423 1.00 0.00 H new ATOM 993 N TRP A 67 -0.619 -6.117 6.487 1.00 0.00 N ATOM 994 CA TRP A 67 0.037 -4.854 6.171 1.00 0.00 C ATOM 995 C TRP A 67 -0.987 -3.799 5.752 1.00 0.00 C ATOM 996 O TRP A 67 -1.052 -2.716 6.341 1.00 0.00 O ATOM 997 CB TRP A 67 1.059 -5.071 5.054 1.00 0.00 C ATOM 998 CG TRP A 67 2.071 -3.971 4.934 1.00 0.00 C ATOM 999 CD1 TRP A 67 3.332 -3.965 5.459 1.00 0.00 C ATOM 1000 CD2 TRP A 67 1.912 -2.721 4.254 1.00 0.00 C ATOM 1001 NE1 TRP A 67 3.968 -2.791 5.139 1.00 0.00 N ATOM 1002 CE2 TRP A 67 3.117 -2.011 4.402 1.00 0.00 C ATOM 1003 CE3 TRP A 67 0.869 -2.132 3.533 1.00 0.00 C ATOM 1004 CZ2 TRP A 67 3.307 -0.746 3.854 1.00 0.00 C ATOM 1005 CZ3 TRP A 67 1.059 -0.875 2.992 1.00 0.00 C ATOM 1006 CH2 TRP A 67 2.268 -0.195 3.153 1.00 0.00 C ATOM 0 H TRP A 67 -0.269 -6.912 5.953 1.00 0.00 H new ATOM 0 HA TRP A 67 0.549 -4.494 7.063 1.00 0.00 H new ATOM 0 HB2 TRP A 67 1.579 -6.013 5.229 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.531 -5.170 4.106 1.00 0.00 H new ATOM 0 HD1 TRP A 67 3.765 -4.766 6.040 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.920 -2.540 5.407 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -0.069 -2.651 3.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 4.241 -0.218 3.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 0.259 -0.410 2.435 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.386 0.785 2.716 1.00 0.00 H new ATOM 1017 N GLU A 68 -1.790 -4.138 4.748 1.00 0.00 N ATOM 1018 CA GLU A 68 -2.809 -3.231 4.227 1.00 0.00 C ATOM 1019 C GLU A 68 -3.806 -2.866 5.327 1.00 0.00 C ATOM 1020 O GLU A 68 -4.201 -1.706 5.476 1.00 0.00 O ATOM 1021 CB GLU A 68 -3.536 -3.893 3.054 1.00 0.00 C ATOM 1022 CG GLU A 68 -4.371 -2.933 2.223 1.00 0.00 C ATOM 1023 CD GLU A 68 -5.281 -3.641 1.238 1.00 0.00 C ATOM 1024 OE1 GLU A 68 -4.858 -3.888 0.091 1.00 0.00 O ATOM 1025 OE2 GLU A 68 -6.437 -3.945 1.610 1.00 0.00 O ATOM 0 H GLU A 68 -1.754 -5.041 4.276 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.327 -2.317 3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.800 -4.372 2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.183 -4.681 3.439 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.975 -2.316 2.888 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.708 -2.261 1.678 1.00 0.00 H new ATOM 1032 N TYR A 69 -4.191 -3.878 6.092 1.00 0.00 N ATOM 1033 CA TYR A 69 -5.114 -3.723 7.222 1.00 0.00 C ATOM 1034 C TYR A 69 -4.606 -2.678 8.219 1.00 0.00 C ATOM 1035 O TYR A 69 -5.339 -1.751 8.588 1.00 0.00 O ATOM 1036 CB TYR A 69 -5.297 -5.080 7.916 1.00 0.00 C ATOM 1037 CG TYR A 69 -6.159 -5.056 9.161 1.00 0.00 C ATOM 1038 CD1 TYR A 69 -7.541 -4.943 9.074 1.00 0.00 C ATOM 1039 CD2 TYR A 69 -5.588 -5.182 10.422 1.00 0.00 C ATOM 1040 CE1 TYR A 69 -8.327 -4.952 10.211 1.00 0.00 C ATOM 1041 CE2 TYR A 69 -6.366 -5.187 11.563 1.00 0.00 C ATOM 1042 CZ TYR A 69 -7.734 -5.074 11.451 1.00 0.00 C ATOM 1043 OH TYR A 69 -8.517 -5.098 12.584 1.00 0.00 O ATOM 0 H TYR A 69 -3.874 -4.837 5.950 1.00 0.00 H new ATOM 0 HA TYR A 69 -6.074 -3.373 6.842 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -5.735 -5.778 7.203 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.314 -5.470 8.181 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -8.008 -4.847 8.105 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.516 -5.278 10.511 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -9.400 -4.864 10.129 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.905 -5.279 12.535 1.00 0.00 H new ATOM 0 HH TYR A 69 -7.945 -5.190 13.375 1.00 0.00 H new ATOM 1053 N GLU A 70 -3.354 -2.822 8.644 1.00 0.00 N ATOM 1054 CA GLU A 70 -2.771 -1.922 9.633 1.00 0.00 C ATOM 1055 C GLU A 70 -2.729 -0.483 9.120 1.00 0.00 C ATOM 1056 O GLU A 70 -3.222 0.429 9.783 1.00 0.00 O ATOM 1057 CB GLU A 70 -1.358 -2.368 10.018 1.00 0.00 C ATOM 1058 CG GLU A 70 -1.307 -3.714 10.723 1.00 0.00 C ATOM 1059 CD GLU A 70 0.090 -4.063 11.208 1.00 0.00 C ATOM 1060 OE1 GLU A 70 0.439 -3.677 12.343 1.00 0.00 O ATOM 1061 OE2 GLU A 70 0.842 -4.718 10.459 1.00 0.00 O ATOM 0 H GLU A 70 -2.723 -3.554 8.318 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.409 -1.961 10.516 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.745 -2.417 9.118 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.913 -1.613 10.666 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.991 -3.702 11.572 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.657 -4.491 10.043 1.00 0.00 H new ATOM 1068 N VAL A 71 -2.161 -0.292 7.932 1.00 0.00 N ATOM 1069 CA VAL A 71 -1.994 1.039 7.352 1.00 0.00 C ATOM 1070 C VAL A 71 -3.326 1.780 7.214 1.00 0.00 C ATOM 1071 O VAL A 71 -3.378 2.996 7.378 1.00 0.00 O ATOM 1072 CB VAL A 71 -1.298 0.966 5.975 1.00 0.00 C ATOM 1073 CG1 VAL A 71 -1.192 2.343 5.330 1.00 0.00 C ATOM 1074 CG2 VAL A 71 0.079 0.340 6.122 1.00 0.00 C ATOM 0 H VAL A 71 -1.806 -1.049 7.348 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.363 1.599 8.043 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.906 0.342 5.320 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.697 2.255 4.363 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.191 2.757 5.190 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.612 3.003 5.975 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.563 0.292 5.147 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.683 0.945 6.798 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.020 -0.667 6.527 1.00 0.00 H new ATOM 1084 N LYS A 72 -4.396 1.054 6.921 1.00 0.00 N ATOM 1085 CA LYS A 72 -5.706 1.677 6.747 1.00 0.00 C ATOM 1086 C LYS A 72 -6.273 2.188 8.071 1.00 0.00 C ATOM 1087 O LYS A 72 -6.727 3.329 8.151 1.00 0.00 O ATOM 1088 CB LYS A 72 -6.689 0.708 6.089 1.00 0.00 C ATOM 1089 CG LYS A 72 -6.366 0.428 4.632 1.00 0.00 C ATOM 1090 CD LYS A 72 -7.385 -0.503 4.004 1.00 0.00 C ATOM 1091 CE LYS A 72 -7.075 -0.748 2.537 1.00 0.00 C ATOM 1092 NZ LYS A 72 -8.095 -1.614 1.893 1.00 0.00 N ATOM 0 H LYS A 72 -4.387 0.041 6.799 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.567 2.536 6.090 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -6.689 -0.231 6.642 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.696 1.119 6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.339 1.366 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.373 -0.015 4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.393 -1.452 4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.382 -0.074 4.101 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.025 0.206 2.012 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.094 -1.214 2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.683 -2.548 1.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.910 -1.723 2.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.408 -1.178 1.002 1.00 0.00 H new ATOM 1106 N HIS A 73 -6.223 1.358 9.108 1.00 0.00 N ATOM 1107 CA HIS A 73 -6.802 1.721 10.407 1.00 0.00 C ATOM 1108 C HIS A 73 -5.867 2.655 11.179 1.00 0.00 C ATOM 1109 O HIS A 73 -6.233 3.223 12.208 1.00 0.00 O ATOM 1110 CB HIS A 73 -7.105 0.465 11.240 1.00 0.00 C ATOM 1111 CG HIS A 73 -8.182 -0.416 10.663 1.00 0.00 C ATOM 1112 ND1 HIS A 73 -9.383 -0.658 11.299 1.00 0.00 N ATOM 1113 CD2 HIS A 73 -8.228 -1.126 9.509 1.00 0.00 C ATOM 1114 CE1 HIS A 73 -10.112 -1.475 10.565 1.00 0.00 C ATOM 1115 NE2 HIS A 73 -9.437 -1.774 9.476 1.00 0.00 N ATOM 0 H HIS A 73 -5.792 0.434 9.080 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.738 2.247 10.220 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.190 -0.119 11.342 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -7.401 0.771 12.243 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.456 -1.173 8.755 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -11.098 -1.838 10.816 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -9.760 -2.388 8.728 1.00 0.00 H new ATOM 1124 N LEU A 74 -4.657 2.792 10.664 1.00 0.00 N ATOM 1125 CA LEU A 74 -3.643 3.667 11.235 1.00 0.00 C ATOM 1126 C LEU A 74 -4.052 5.150 11.120 1.00 0.00 C ATOM 1127 O LEU A 74 -4.630 5.562 10.116 1.00 0.00 O ATOM 1128 CB LEU A 74 -2.318 3.401 10.507 1.00 0.00 C ATOM 1129 CG LEU A 74 -1.298 2.548 11.257 1.00 0.00 C ATOM 1130 CD1 LEU A 74 -0.179 2.099 10.318 1.00 0.00 C ATOM 1131 CD2 LEU A 74 -0.728 3.343 12.418 1.00 0.00 C ATOM 0 H LEU A 74 -4.346 2.295 9.829 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.532 3.456 12.298 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.540 2.914 9.557 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.857 4.360 10.273 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.794 1.657 11.642 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.538 1.492 10.871 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.602 1.510 9.504 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.326 2.974 9.909 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.000 2.734 12.953 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.241 4.242 12.039 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.533 3.625 13.096 1.00 0.00 H new ATOM 1143 N SER A 75 -3.758 5.947 12.157 1.00 0.00 N ATOM 1144 CA SER A 75 -4.097 7.374 12.170 1.00 0.00 C ATOM 1145 C SER A 75 -3.113 8.165 11.307 1.00 0.00 C ATOM 1146 O SER A 75 -1.973 7.756 11.185 1.00 0.00 O ATOM 1147 CB SER A 75 -4.087 7.889 13.610 1.00 0.00 C ATOM 1148 OG SER A 75 -4.928 7.095 14.433 1.00 0.00 O ATOM 0 H SER A 75 -3.284 5.624 13.000 1.00 0.00 H new ATOM 0 HA SER A 75 -5.095 7.509 11.753 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.069 7.874 14.000 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.422 8.926 13.633 1.00 0.00 H new ATOM 0 HG SER A 75 -4.907 7.439 15.350 1.00 0.00 H new ATOM 1154 N ARG A 76 -3.559 9.311 10.767 1.00 0.00 N ATOM 1155 CA ARG A 76 -2.820 10.113 9.750 1.00 0.00 C ATOM 1156 C ARG A 76 -1.286 10.022 9.811 1.00 0.00 C ATOM 1157 O ARG A 76 -0.624 9.827 8.777 1.00 0.00 O ATOM 1158 CB ARG A 76 -3.205 11.587 9.872 1.00 0.00 C ATOM 1159 CG ARG A 76 -4.492 11.967 9.161 1.00 0.00 C ATOM 1160 CD ARG A 76 -4.769 13.456 9.302 1.00 0.00 C ATOM 1161 NE ARG A 76 -5.815 13.920 8.393 1.00 0.00 N ATOM 1162 CZ ARG A 76 -6.572 14.995 8.611 1.00 0.00 C ATOM 1163 NH1 ARG A 76 -6.441 15.698 9.730 1.00 0.00 N ATOM 1164 NH2 ARG A 76 -7.470 15.365 7.710 1.00 0.00 N ATOM 0 H ARG A 76 -4.457 9.722 11.022 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.117 9.676 8.797 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -3.302 11.837 10.928 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.393 12.195 9.474 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.421 11.704 8.106 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.324 11.397 9.576 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -5.063 13.672 10.329 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.852 14.013 9.109 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.976 13.388 7.538 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.756 15.417 10.432 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.025 16.519 9.888 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.582 14.827 6.850 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -8.050 16.188 7.876 1.00 0.00 H new ATOM 1178 N ARG A 77 -0.718 10.156 11.008 1.00 0.00 N ATOM 1179 CA ARG A 77 0.739 10.208 11.157 1.00 0.00 C ATOM 1180 C ARG A 77 1.377 8.911 10.665 1.00 0.00 C ATOM 1181 O ARG A 77 2.575 8.852 10.393 1.00 0.00 O ATOM 1182 CB ARG A 77 1.130 10.490 12.614 1.00 0.00 C ATOM 1183 CG ARG A 77 2.633 10.540 12.841 1.00 0.00 C ATOM 1184 CD ARG A 77 2.981 11.051 14.226 1.00 0.00 C ATOM 1185 NE ARG A 77 2.665 12.469 14.387 1.00 0.00 N ATOM 1186 CZ ARG A 77 2.892 13.163 15.501 1.00 0.00 C ATOM 1187 NH1 ARG A 77 3.462 12.577 16.549 1.00 0.00 N ATOM 1188 NH2 ARG A 77 2.559 14.450 15.557 1.00 0.00 N ATOM 0 H ARG A 77 -1.237 10.230 11.883 1.00 0.00 H new ATOM 0 HA ARG A 77 1.115 11.027 10.543 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.692 11.440 12.922 1.00 0.00 H new ATOM 0 HB3 ARG A 77 0.700 9.719 13.253 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.054 9.544 12.706 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.092 11.184 12.091 1.00 0.00 H new ATOM 0 HD2 ARG A 77 2.437 10.472 14.972 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.043 10.894 14.413 1.00 0.00 H new ATOM 0 HE ARG A 77 2.244 12.958 13.597 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.727 11.593 16.502 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.635 13.111 17.401 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.131 14.902 14.749 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.731 14.985 16.408 1.00 0.00 H new ATOM 1202 N LYS A 78 0.553 7.887 10.515 1.00 0.00 N ATOM 1203 CA LYS A 78 0.988 6.610 9.988 1.00 0.00 C ATOM 1204 C LYS A 78 1.437 6.764 8.558 1.00 0.00 C ATOM 1205 O LYS A 78 2.414 6.170 8.141 1.00 0.00 O ATOM 1206 CB LYS A 78 -0.148 5.584 10.031 1.00 0.00 C ATOM 1207 CG LYS A 78 -1.008 5.479 8.752 1.00 0.00 C ATOM 1208 CD LYS A 78 -1.982 6.636 8.601 1.00 0.00 C ATOM 1209 CE LYS A 78 -2.863 6.493 7.373 1.00 0.00 C ATOM 1210 NZ LYS A 78 -3.980 5.532 7.574 1.00 0.00 N ATOM 0 H LYS A 78 -0.437 7.921 10.756 1.00 0.00 H new ATOM 0 HA LYS A 78 1.815 6.261 10.607 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.281 4.604 10.239 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.803 5.830 10.867 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.353 5.445 7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.564 4.542 8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.610 6.698 9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.425 7.571 8.539 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.272 7.468 7.109 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.254 6.164 6.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.677 5.645 6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.609 4.561 7.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -4.437 5.717 8.490 1.00 0.00 H new ATOM 1224 N LYS A 79 0.702 7.565 7.814 1.00 0.00 N ATOM 1225 CA LYS A 79 0.925 7.681 6.400 1.00 0.00 C ATOM 1226 C LYS A 79 2.161 8.528 6.184 1.00 0.00 C ATOM 1227 O LYS A 79 2.938 8.312 5.258 1.00 0.00 O ATOM 1228 CB LYS A 79 -0.300 8.289 5.718 1.00 0.00 C ATOM 1229 CG LYS A 79 -0.662 7.613 4.407 1.00 0.00 C ATOM 1230 CD LYS A 79 -2.086 7.947 3.989 1.00 0.00 C ATOM 1231 CE LYS A 79 -2.457 7.268 2.678 1.00 0.00 C ATOM 1232 NZ LYS A 79 -2.354 5.784 2.764 1.00 0.00 N ATOM 0 H LYS A 79 -0.056 8.145 8.173 1.00 0.00 H new ATOM 0 HA LYS A 79 1.082 6.698 5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.151 8.228 6.396 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.115 9.347 5.533 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.032 7.930 3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.555 6.533 4.510 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.778 7.634 4.771 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.191 9.027 3.883 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.475 7.545 2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.803 7.631 1.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.533 5.369 1.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.400 5.520 3.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.057 5.426 3.442 1.00 0.00 H new ATOM 1246 N GLU A 80 2.328 9.487 7.088 1.00 0.00 N ATOM 1247 CA GLU A 80 3.532 10.300 7.136 1.00 0.00 C ATOM 1248 C GLU A 80 4.751 9.441 7.501 1.00 0.00 C ATOM 1249 O GLU A 80 5.821 9.568 6.901 1.00 0.00 O ATOM 1250 CB GLU A 80 3.342 11.431 8.154 1.00 0.00 C ATOM 1251 CG GLU A 80 2.320 12.470 7.715 1.00 0.00 C ATOM 1252 CD GLU A 80 1.887 13.382 8.848 1.00 0.00 C ATOM 1253 OE1 GLU A 80 2.712 13.665 9.743 1.00 0.00 O ATOM 1254 OE2 GLU A 80 0.710 13.805 8.858 1.00 0.00 O ATOM 0 H GLU A 80 1.637 9.720 7.802 1.00 0.00 H new ATOM 0 HA GLU A 80 3.711 10.732 6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.030 11.004 9.107 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.300 11.923 8.324 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.743 13.072 6.911 1.00 0.00 H new ATOM 0 HG3 GLU A 80 1.445 11.963 7.308 1.00 0.00 H new ATOM 1261 N GLN A 81 4.573 8.558 8.479 1.00 0.00 N ATOM 1262 CA GLN A 81 5.652 7.691 8.949 1.00 0.00 C ATOM 1263 C GLN A 81 5.945 6.574 7.948 1.00 0.00 C ATOM 1264 O GLN A 81 7.105 6.256 7.689 1.00 0.00 O ATOM 1265 CB GLN A 81 5.290 7.083 10.311 1.00 0.00 C ATOM 1266 CG GLN A 81 6.389 6.216 10.908 1.00 0.00 C ATOM 1267 CD GLN A 81 7.626 7.012 11.281 1.00 0.00 C ATOM 1268 OE1 GLN A 81 7.542 8.185 11.638 1.00 0.00 O ATOM 1269 NE2 GLN A 81 8.786 6.379 11.192 1.00 0.00 N ATOM 0 H GLN A 81 3.686 8.423 8.965 1.00 0.00 H new ATOM 0 HA GLN A 81 6.548 8.303 9.051 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.057 7.888 11.007 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.386 6.484 10.202 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.006 5.711 11.795 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.663 5.441 10.193 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.814 5.405 10.892 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.652 6.866 11.424 1.00 0.00 H new ATOM 1278 N LEU A 82 4.885 5.988 7.397 1.00 0.00 N ATOM 1279 CA LEU A 82 4.993 4.864 6.467 1.00 0.00 C ATOM 1280 C LEU A 82 5.920 5.203 5.301 1.00 0.00 C ATOM 1281 O LEU A 82 6.808 4.423 4.955 1.00 0.00 O ATOM 1282 CB LEU A 82 3.599 4.496 5.937 1.00 0.00 C ATOM 1283 CG LEU A 82 3.530 3.218 5.102 1.00 0.00 C ATOM 1284 CD1 LEU A 82 3.626 1.990 5.999 1.00 0.00 C ATOM 1285 CD2 LEU A 82 2.245 3.197 4.287 1.00 0.00 C ATOM 0 H LEU A 82 3.925 6.279 7.582 1.00 0.00 H new ATOM 0 HA LEU A 82 5.417 4.014 7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.922 4.392 6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.228 5.324 5.333 1.00 0.00 H new ATOM 0 HG LEU A 82 4.375 3.199 4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.575 1.089 5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.571 2.008 6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.800 1.993 6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.204 2.283 3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.387 3.233 4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.221 4.061 3.622 1.00 0.00 H new ATOM 1297 N VAL A 83 5.723 6.375 4.715 1.00 0.00 N ATOM 1298 CA VAL A 83 6.535 6.820 3.586 1.00 0.00 C ATOM 1299 C VAL A 83 7.962 7.145 4.027 1.00 0.00 C ATOM 1300 O VAL A 83 8.923 6.890 3.304 1.00 0.00 O ATOM 1301 CB VAL A 83 5.903 8.054 2.908 1.00 0.00 C ATOM 1302 CG1 VAL A 83 6.784 8.577 1.782 1.00 0.00 C ATOM 1303 CG2 VAL A 83 4.519 7.712 2.384 1.00 0.00 C ATOM 0 H VAL A 83 5.005 7.040 5.003 1.00 0.00 H new ATOM 0 HA VAL A 83 6.572 6.002 2.866 1.00 0.00 H new ATOM 0 HB VAL A 83 5.814 8.843 3.655 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.312 9.446 1.324 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.757 8.862 2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.915 7.798 1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.083 8.590 1.908 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.595 6.904 1.656 1.00 0.00 H new ATOM 0 HG23 VAL A 83 3.884 7.396 3.212 1.00 0.00 H new ATOM 1313 N SER A 84 8.102 7.683 5.229 1.00 0.00 N ATOM 1314 CA SER A 84 9.414 8.021 5.763 1.00 0.00 C ATOM 1315 C SER A 84 10.210 6.753 6.081 1.00 0.00 C ATOM 1316 O SER A 84 11.438 6.783 6.197 1.00 0.00 O ATOM 1317 CB SER A 84 9.262 8.889 7.014 1.00 0.00 C ATOM 1318 OG SER A 84 8.516 10.062 6.728 1.00 0.00 O ATOM 0 H SER A 84 7.324 7.895 5.854 1.00 0.00 H new ATOM 0 HA SER A 84 9.963 8.585 5.009 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.765 8.319 7.799 1.00 0.00 H new ATOM 0 HB3 SER A 84 10.246 9.163 7.394 1.00 0.00 H new ATOM 0 HG SER A 84 7.564 9.838 6.667 1.00 0.00 H new ATOM 1324 N LEU A 85 9.501 5.638 6.201 1.00 0.00 N ATOM 1325 CA LEU A 85 10.129 4.353 6.469 1.00 0.00 C ATOM 1326 C LEU A 85 10.527 3.673 5.161 1.00 0.00 C ATOM 1327 O LEU A 85 11.385 2.788 5.145 1.00 0.00 O ATOM 1328 CB LEU A 85 9.170 3.469 7.284 1.00 0.00 C ATOM 1329 CG LEU A 85 9.719 2.110 7.729 1.00 0.00 C ATOM 1330 CD1 LEU A 85 9.157 1.741 9.090 1.00 0.00 C ATOM 1331 CD2 LEU A 85 9.370 1.024 6.719 1.00 0.00 C ATOM 0 H LEU A 85 8.485 5.599 6.116 1.00 0.00 H new ATOM 0 HA LEU A 85 11.036 4.509 7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.864 4.023 8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.272 3.298 6.690 1.00 0.00 H new ATOM 0 HG LEU A 85 10.804 2.188 7.793 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.553 0.773 9.397 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.443 2.499 9.819 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.070 1.686 9.032 1.00 0.00 H new ATOM 0 HD21 LEU A 85 9.771 0.069 7.058 1.00 0.00 H new ATOM 0 HD22 LEU A 85 8.287 0.950 6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.802 1.275 5.750 1.00 0.00 H new ATOM 1343 N LYS A 86 9.942 4.130 4.058 1.00 0.00 N ATOM 1344 CA LYS A 86 10.165 3.516 2.757 1.00 0.00 C ATOM 1345 C LYS A 86 9.746 4.494 1.664 1.00 0.00 C ATOM 1346 O LYS A 86 8.567 4.622 1.338 1.00 0.00 O ATOM 1347 CB LYS A 86 9.369 2.208 2.664 1.00 0.00 C ATOM 1348 CG LYS A 86 9.829 1.237 1.583 1.00 0.00 C ATOM 1349 CD LYS A 86 9.434 1.692 0.187 1.00 0.00 C ATOM 1350 CE LYS A 86 9.507 0.548 -0.812 1.00 0.00 C ATOM 1351 NZ LYS A 86 10.881 -0.004 -0.951 1.00 0.00 N ATOM 0 H LYS A 86 9.307 4.928 4.042 1.00 0.00 H new ATOM 0 HA LYS A 86 11.221 3.281 2.627 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.420 1.702 3.628 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.321 2.452 2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.912 1.128 1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.401 0.253 1.776 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.421 2.095 0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.092 2.499 -0.134 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.830 -0.247 -0.498 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.160 0.897 -1.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.885 -0.746 -1.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.534 0.757 -1.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.186 -0.409 -0.043 1.00 0.00 H new ATOM 1365 N GLY A 87 10.732 5.195 1.127 1.00 0.00 N ATOM 1366 CA GLY A 87 10.472 6.258 0.177 1.00 0.00 C ATOM 1367 C GLY A 87 11.398 7.432 0.417 1.00 0.00 C ATOM 1368 O GLY A 87 11.692 8.203 -0.494 1.00 0.00 O ATOM 0 H GLY A 87 11.719 5.045 1.335 1.00 0.00 H new ATOM 0 HA2 GLY A 87 10.606 5.885 -0.838 1.00 0.00 H new ATOM 0 HA3 GLY A 87 9.435 6.583 0.263 1.00 0.00 H new ATOM 1372 N GLY A 88 11.917 7.500 1.641 1.00 0.00 N ATOM 1373 CA GLY A 88 12.797 8.583 2.056 1.00 0.00 C ATOM 1374 C GLY A 88 12.127 9.953 2.084 1.00 0.00 C ATOM 1375 O GLY A 88 11.244 10.251 1.282 1.00 0.00 O ATOM 0 H GLY A 88 11.739 6.807 2.368 1.00 0.00 H new ATOM 0 HA2 GLY A 88 13.186 8.360 3.049 1.00 0.00 H new ATOM 0 HA3 GLY A 88 13.651 8.622 1.380 1.00 0.00 H new ATOM 1379 N PRO A 89 12.539 10.817 3.026 1.00 0.00 N ATOM 1380 CA PRO A 89 11.957 12.142 3.192 1.00 0.00 C ATOM 1381 C PRO A 89 12.590 13.191 2.277 1.00 0.00 C ATOM 1382 O PRO A 89 13.605 13.803 2.614 1.00 0.00 O ATOM 1383 CB PRO A 89 12.246 12.453 4.656 1.00 0.00 C ATOM 1384 CG PRO A 89 13.517 11.728 4.966 1.00 0.00 C ATOM 1385 CD PRO A 89 13.601 10.558 4.016 1.00 0.00 C ATOM 0 HA PRO A 89 10.899 12.163 2.930 1.00 0.00 H new ATOM 0 HB2 PRO A 89 12.355 13.526 4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 89 11.433 12.115 5.299 1.00 0.00 H new ATOM 0 HG2 PRO A 89 14.377 12.387 4.843 1.00 0.00 H new ATOM 0 HG3 PRO A 89 13.523 11.386 6.001 1.00 0.00 H new ATOM 0 HD2 PRO A 89 14.581 10.499 3.542 1.00 0.00 H new ATOM 0 HD3 PRO A 89 13.440 9.612 4.534 1.00 0.00 H new ATOM 1393 N TYR A 90 11.986 13.386 1.114 1.00 0.00 N ATOM 1394 CA TYR A 90 12.465 14.375 0.156 1.00 0.00 C ATOM 1395 C TYR A 90 11.983 15.773 0.529 1.00 0.00 C ATOM 1396 O TYR A 90 12.603 16.769 0.162 1.00 0.00 O ATOM 1397 CB TYR A 90 11.990 14.029 -1.254 1.00 0.00 C ATOM 1398 CG TYR A 90 12.693 12.839 -1.868 1.00 0.00 C ATOM 1399 CD1 TYR A 90 12.221 11.548 -1.670 1.00 0.00 C ATOM 1400 CD2 TYR A 90 13.824 13.009 -2.659 1.00 0.00 C ATOM 1401 CE1 TYR A 90 12.857 10.463 -2.237 1.00 0.00 C ATOM 1402 CE2 TYR A 90 14.466 11.927 -3.229 1.00 0.00 C ATOM 1403 CZ TYR A 90 13.976 10.656 -3.016 1.00 0.00 C ATOM 1404 OH TYR A 90 14.608 9.573 -3.583 1.00 0.00 O ATOM 0 H TYR A 90 11.160 12.871 0.809 1.00 0.00 H new ATOM 0 HA TYR A 90 13.555 14.362 0.180 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.919 13.830 -1.226 1.00 0.00 H new ATOM 0 HB3 TYR A 90 12.136 14.896 -1.898 1.00 0.00 H new ATOM 0 HD1 TYR A 90 11.342 11.391 -1.062 1.00 0.00 H new ATOM 0 HD2 TYR A 90 14.207 14.004 -2.831 1.00 0.00 H new ATOM 0 HE1 TYR A 90 12.478 9.465 -2.070 1.00 0.00 H new ATOM 0 HE2 TYR A 90 15.346 12.076 -3.837 1.00 0.00 H new ATOM 0 HH TYR A 90 15.380 9.880 -4.103 1.00 0.00 H new ATOM 1414 N GLU A 91 10.882 15.840 1.257 1.00 0.00 N ATOM 1415 CA GLU A 91 10.298 17.120 1.640 1.00 0.00 C ATOM 1416 C GLU A 91 10.634 17.467 3.086 1.00 0.00 C ATOM 1417 O GLU A 91 10.483 18.612 3.506 1.00 0.00 O ATOM 1418 CB GLU A 91 8.784 17.084 1.447 1.00 0.00 C ATOM 1419 CG GLU A 91 8.113 15.958 2.205 1.00 0.00 C ATOM 1420 CD GLU A 91 6.634 15.851 1.894 1.00 0.00 C ATOM 1421 OE1 GLU A 91 6.292 15.384 0.791 1.00 0.00 O ATOM 1422 OE2 GLU A 91 5.808 16.246 2.745 1.00 0.00 O ATOM 0 H GLU A 91 10.372 15.024 1.596 1.00 0.00 H new ATOM 0 HA GLU A 91 10.723 17.892 0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 91 8.360 18.035 1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.562 16.981 0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.602 15.016 1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.246 16.115 3.275 1.00 0.00 H new ATOM 1429 N ASN A 92 11.105 16.484 3.843 1.00 0.00 N ATOM 1430 CA ASN A 92 11.459 16.703 5.244 1.00 0.00 C ATOM 1431 C ASN A 92 12.909 17.180 5.332 1.00 0.00 C ATOM 1432 O ASN A 92 13.632 16.869 6.276 1.00 0.00 O ATOM 1433 CB ASN A 92 11.251 15.415 6.056 1.00 0.00 C ATOM 1434 CG ASN A 92 11.030 15.652 7.550 1.00 0.00 C ATOM 1435 OD1 ASN A 92 10.259 14.934 8.190 1.00 0.00 O ATOM 1436 ND2 ASN A 92 11.710 16.631 8.127 1.00 0.00 N ATOM 0 H ASN A 92 11.251 15.530 3.514 1.00 0.00 H new ATOM 0 HA ASN A 92 10.811 17.471 5.667 1.00 0.00 H new ATOM 0 HB2 ASN A 92 10.393 14.878 5.653 1.00 0.00 H new ATOM 0 HB3 ASN A 92 12.120 14.771 5.925 1.00 0.00 H new ATOM 0 HD21 ASN A 92 11.603 16.807 9.126 1.00 0.00 H new ATOM 0 HD22 ASN A 92 12.341 17.209 7.572 1.00 0.00 H new ATOM 1443 N THR A 93 13.311 17.956 4.335 1.00 0.00 N ATOM 1444 CA THR A 93 14.627 18.571 4.308 1.00 0.00 C ATOM 1445 C THR A 93 14.732 19.588 5.440 1.00 0.00 C ATOM 1446 O THR A 93 15.800 19.812 6.018 1.00 0.00 O ATOM 1447 CB THR A 93 14.850 19.258 2.950 1.00 0.00 C ATOM 1448 OG1 THR A 93 13.733 20.108 2.658 1.00 0.00 O ATOM 1449 CG2 THR A 93 14.998 18.221 1.844 1.00 0.00 C ATOM 0 H THR A 93 12.733 18.176 3.524 1.00 0.00 H new ATOM 0 HA THR A 93 15.393 17.807 4.443 1.00 0.00 H new ATOM 0 HB THR A 93 15.764 19.849 3.002 1.00 0.00 H new ATOM 0 HG1 THR A 93 13.874 20.548 1.794 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.155 18.726 0.891 1.00 0.00 H new ATOM 0 HG22 THR A 93 15.852 17.579 2.059 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.093 17.616 1.789 1.00 0.00 H new ATOM 1457 N THR A 94 13.596 20.196 5.737 1.00 0.00 N ATOM 1458 CA THR A 94 13.442 21.056 6.891 1.00 0.00 C ATOM 1459 C THR A 94 12.059 20.823 7.484 1.00 0.00 C ATOM 1460 O THR A 94 11.102 20.564 6.755 1.00 0.00 O ATOM 1461 CB THR A 94 13.627 22.553 6.531 1.00 0.00 C ATOM 1462 OG1 THR A 94 13.351 23.377 7.672 1.00 0.00 O ATOM 1463 CG2 THR A 94 12.725 22.963 5.375 1.00 0.00 C ATOM 0 H THR A 94 12.749 20.104 5.177 1.00 0.00 H new ATOM 0 HA THR A 94 14.216 20.808 7.617 1.00 0.00 H new ATOM 0 HB THR A 94 14.663 22.692 6.223 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.473 24.319 7.432 1.00 0.00 H new ATOM 0 HG21 THR A 94 12.880 24.018 5.149 1.00 0.00 H new ATOM 0 HG22 THR A 94 12.965 22.364 4.496 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.683 22.801 5.651 1.00 0.00 H new ATOM 1471 N LYS A 95 11.959 20.874 8.801 1.00 0.00 N ATOM 1472 CA LYS A 95 10.683 20.682 9.465 1.00 0.00 C ATOM 1473 C LYS A 95 9.973 22.022 9.631 1.00 0.00 C ATOM 1474 O LYS A 95 8.854 22.082 10.148 1.00 0.00 O ATOM 1475 CB LYS A 95 10.890 20.015 10.831 1.00 0.00 C ATOM 1476 CG LYS A 95 9.588 19.690 11.545 1.00 0.00 C ATOM 1477 CD LYS A 95 9.825 19.200 12.964 1.00 0.00 C ATOM 1478 CE LYS A 95 8.510 19.030 13.709 1.00 0.00 C ATOM 1479 NZ LYS A 95 7.608 18.069 13.021 1.00 0.00 N ATOM 0 H LYS A 95 12.744 21.046 9.429 1.00 0.00 H new ATOM 0 HA LYS A 95 10.061 20.030 8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 95 11.461 19.097 10.696 1.00 0.00 H new ATOM 0 HB3 LYS A 95 11.488 20.673 11.462 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.956 20.578 11.569 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.047 18.928 10.984 1.00 0.00 H new ATOM 0 HD2 LYS A 95 10.359 18.250 12.940 1.00 0.00 H new ATOM 0 HD3 LYS A 95 10.459 19.909 13.496 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.708 18.681 14.722 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.014 19.996 13.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 6.800 17.849 13.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.263 18.490 12.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.129 17.194 12.809 1.00 0.00 H new ATOM 1493 N LEU A 96 10.624 23.089 9.162 1.00 0.00 N ATOM 1494 CA LEU A 96 10.130 24.454 9.342 1.00 0.00 C ATOM 1495 C LEU A 96 10.248 24.841 10.812 1.00 0.00 C ATOM 1496 O LEU A 96 11.205 25.511 11.212 1.00 0.00 O ATOM 1497 CB LEU A 96 8.670 24.604 8.863 1.00 0.00 C ATOM 1498 CG LEU A 96 8.432 24.622 7.340 1.00 0.00 C ATOM 1499 CD1 LEU A 96 8.983 23.378 6.660 1.00 0.00 C ATOM 1500 CD2 LEU A 96 6.946 24.747 7.052 1.00 0.00 C ATOM 0 H LEU A 96 11.504 23.031 8.649 1.00 0.00 H new ATOM 0 HA LEU A 96 10.739 25.122 8.733 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.088 23.785 9.287 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.270 25.529 9.279 1.00 0.00 H new ATOM 0 HG LEU A 96 8.964 25.483 6.935 1.00 0.00 H new ATOM 0 HD11 LEU A 96 8.792 23.435 5.588 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.057 23.313 6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.495 22.493 7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.784 24.759 5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.418 23.899 7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.568 25.672 7.486 1.00 0.00 H new ATOM 1512 N SER A 97 9.284 24.395 11.608 1.00 0.00 N ATOM 1513 CA SER A 97 9.313 24.552 13.054 1.00 0.00 C ATOM 1514 C SER A 97 8.369 23.528 13.684 1.00 0.00 C ATOM 1515 O SER A 97 8.806 22.525 14.253 1.00 0.00 O ATOM 1516 CB SER A 97 8.910 25.978 13.463 1.00 0.00 C ATOM 1517 OG SER A 97 9.836 26.934 12.965 1.00 0.00 O ATOM 0 H SER A 97 8.455 23.911 11.264 1.00 0.00 H new ATOM 0 HA SER A 97 10.329 24.383 13.411 1.00 0.00 H new ATOM 0 HB2 SER A 97 7.913 26.201 13.083 1.00 0.00 H new ATOM 0 HB3 SER A 97 8.860 26.048 14.550 1.00 0.00 H new ATOM 0 HG SER A 97 10.603 26.471 12.567 1.00 0.00 H new ATOM 1523 N THR A 98 7.073 23.782 13.558 1.00 0.00 N ATOM 1524 CA THR A 98 6.046 22.863 14.025 1.00 0.00 C ATOM 1525 C THR A 98 4.680 23.350 13.547 1.00 0.00 C ATOM 1526 O THR A 98 4.478 24.551 13.353 1.00 0.00 O ATOM 1527 CB THR A 98 6.059 22.721 15.569 1.00 0.00 C ATOM 1528 OG1 THR A 98 5.193 21.651 15.979 1.00 0.00 O ATOM 1529 CG2 THR A 98 5.631 24.015 16.253 1.00 0.00 C ATOM 0 H THR A 98 6.705 24.631 13.129 1.00 0.00 H new ATOM 0 HA THR A 98 6.253 21.877 13.610 1.00 0.00 H new ATOM 0 HB THR A 98 7.083 22.497 15.869 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.212 21.571 16.956 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.652 23.879 17.334 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.315 24.817 15.975 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.620 24.275 15.939 1.00 0.00 H new ATOM 1537 N THR A 99 3.755 22.432 13.327 1.00 0.00 N ATOM 1538 CA THR A 99 2.415 22.812 12.917 1.00 0.00 C ATOM 1539 C THR A 99 1.513 22.991 14.137 1.00 0.00 C ATOM 1540 O THR A 99 1.381 24.093 14.672 1.00 0.00 O ATOM 1541 CB THR A 99 1.810 21.774 11.947 1.00 0.00 C ATOM 1542 OG1 THR A 99 1.974 20.450 12.484 1.00 0.00 O ATOM 1543 CG2 THR A 99 2.472 21.860 10.579 1.00 0.00 C ATOM 0 H THR A 99 3.905 21.428 13.424 1.00 0.00 H new ATOM 0 HA THR A 99 2.484 23.763 12.390 1.00 0.00 H new ATOM 0 HB THR A 99 0.748 21.991 11.831 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.587 19.796 11.865 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.029 21.119 9.913 1.00 0.00 H new ATOM 0 HG22 THR A 99 2.322 22.857 10.164 1.00 0.00 H new ATOM 0 HG23 THR A 99 3.540 21.666 10.679 1.00 0.00 H new TER 1551 THR A 99