USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 849 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 28 THR OG1 : rot 180:sc= 0.394 USER MOD Set 1.2: A 59 GLN : amide:sc= 0 X(o=0.39,f=0.39) USER MOD Set 2.1: A 14 MET CE :methyl 133:sc= -0.781 (180deg=-1.59!) USER MOD Set 2.2: A 31 GLN :FLIP amide:sc= -0.053 F(o=-3.1,f=-0.83) USER MOD Set 3.1: A 8 SER OG : rot -139:sc= 0.858 USER MOD Set 3.2: A 37 GLN :FLIP amide:sc= -0.963! C(o=-2!,f=-0.11!) USER MOD Set 4.1: A 7 CYS SG : rot -162:sc= -0.832 USER MOD Set 4.2: A 101 GLN :FLIP amide:sc= -0.77 F(o=-6.8!,f=-1.6) USER MOD Single : A 4 THR OG1 : rot 38:sc= 0.0138 USER MOD Single : A 9 SER OG : rot -112:sc= -0.467! USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 90:sc= -0.118 USER MOD Single : A 20 ASN :FLIP amide:sc= -0.0388 F(o=-0.55,f=-0.039) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -130:sc= -0.693 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -1.34 F(o=-3,f=-1.3) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.119 F(o=-1.3,f=-0.12) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.991 X(o=-0.99,f=-0.62) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0216 USER MOD Single : A 53 LYS NZ :NH3+ 137:sc= 0.928 (180deg=-0.00574) USER MOD Single : A 54 MET CE :methyl -118:sc= -1.23 (180deg=-3.12!) USER MOD Single : A 55 GLN : amide:sc= -1.9 K(o=-1.9,f=-2.7!) USER MOD Single : A 58 GLN : amide:sc= -0.262 K(o=-0.26,f=-1.8!) USER MOD Single : A 63 ASN : amide:sc= -1.49 K(o=-1.5,f=-5.3!) USER MOD Single : A 64 CYS SG : rot -129:sc= 0.0302 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot -135:sc= 0.557! USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc= -1.64 K(o=-1.6,f=-2.2) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 78 ASN : amide:sc= -0.55 K(o=-0.55,f=-1.2) USER MOD Single : A 80 HIS : no HE2:sc= -12.3! C(o=-12!,f=-13!) USER MOD Single : A 81 GLN :FLIP amide:sc= -3.55! C(o=-5!,f=-3.6!) USER MOD Single : A 87 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.022) USER MOD Single : A 92 ASN :FLIP amide:sc= -2.29 F(o=-3.6!,f=-2.3) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 MET CE :methyl -115:sc= -11.2! (180deg=-19.1!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 46 N THR A 4 12.385 9.238 4.344 1.00 0.00 N ATOM 47 CA THR A 4 12.203 9.712 2.977 1.00 0.00 C ATOM 48 C THR A 4 11.121 8.912 2.256 1.00 0.00 C ATOM 49 O THR A 4 11.121 7.683 2.285 1.00 0.00 O ATOM 50 CB THR A 4 13.525 9.618 2.209 1.00 0.00 C ATOM 51 OG1 THR A 4 14.475 10.525 2.736 1.00 0.00 O ATOM 52 CG2 THR A 4 13.389 9.905 0.727 1.00 0.00 C ATOM 0 HA THR A 4 11.884 10.753 3.018 1.00 0.00 H new ATOM 0 HB THR A 4 13.851 8.585 2.330 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.389 10.559 3.712 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.365 9.820 0.249 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.702 9.187 0.279 1.00 0.00 H new ATOM 0 HG23 THR A 4 13.003 10.914 0.586 1.00 0.00 H new ATOM 60 N VAL A 5 10.203 9.621 1.604 1.00 0.00 N ATOM 61 CA VAL A 5 9.122 8.977 0.868 1.00 0.00 C ATOM 62 C VAL A 5 9.584 8.593 -0.538 1.00 0.00 C ATOM 63 O VAL A 5 10.550 9.152 -1.056 1.00 0.00 O ATOM 64 CB VAL A 5 7.881 9.893 0.775 1.00 0.00 C ATOM 65 CG1 VAL A 5 6.862 9.341 -0.213 1.00 0.00 C ATOM 66 CG2 VAL A 5 7.249 10.074 2.148 1.00 0.00 C ATOM 0 H VAL A 5 10.187 10.640 1.571 1.00 0.00 H new ATOM 0 HA VAL A 5 8.845 8.075 1.414 1.00 0.00 H new ATOM 0 HB VAL A 5 8.208 10.867 0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.000 10.007 -0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.316 9.269 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.540 8.351 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.376 10.722 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 5 6.944 9.103 2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.973 10.527 2.825 1.00 0.00 H new ATOM 76 N ILE A 6 8.892 7.635 -1.146 1.00 0.00 N ATOM 77 CA ILE A 6 9.242 7.178 -2.485 1.00 0.00 C ATOM 78 C ILE A 6 8.288 7.733 -3.538 1.00 0.00 C ATOM 79 O ILE A 6 8.679 8.549 -4.374 1.00 0.00 O ATOM 80 CB ILE A 6 9.242 5.639 -2.590 1.00 0.00 C ATOM 81 CG1 ILE A 6 9.608 4.999 -1.246 1.00 0.00 C ATOM 82 CG2 ILE A 6 10.204 5.196 -3.677 1.00 0.00 C ATOM 83 CD1 ILE A 6 10.140 3.585 -1.365 1.00 0.00 C ATOM 0 H ILE A 6 8.088 7.162 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 6 10.249 7.551 -2.672 1.00 0.00 H new ATOM 0 HB ILE A 6 8.238 5.307 -2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.357 5.618 -0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 6 8.726 4.992 -0.605 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.199 4.108 -3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.895 5.621 -4.632 1.00 0.00 H new ATOM 0 HG23 ILE A 6 11.210 5.540 -3.435 1.00 0.00 H new ATOM 0 HD11 ILE A 6 10.376 3.201 -0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 6 9.386 2.950 -1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 6 11.041 3.586 -1.978 1.00 0.00 H new ATOM 95 N CYS A 7 7.039 7.278 -3.502 1.00 0.00 N ATOM 96 CA CYS A 7 6.039 7.723 -4.465 1.00 0.00 C ATOM 97 C CYS A 7 4.702 8.002 -3.788 1.00 0.00 C ATOM 98 O CYS A 7 4.608 8.011 -2.560 1.00 0.00 O ATOM 99 CB CYS A 7 5.864 6.673 -5.563 1.00 0.00 C ATOM 100 SG CYS A 7 6.072 7.321 -7.238 1.00 0.00 S ATOM 0 H CYS A 7 6.697 6.603 -2.818 1.00 0.00 H new ATOM 0 HA CYS A 7 6.391 8.654 -4.910 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.584 5.871 -5.403 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.871 6.232 -5.475 1.00 0.00 H new ATOM 0 HG CYS A 7 5.550 6.491 -8.092 1.00 0.00 H new ATOM 106 N SER A 8 3.671 8.227 -4.599 1.00 0.00 N ATOM 107 CA SER A 8 2.333 8.512 -4.083 1.00 0.00 C ATOM 108 C SER A 8 1.261 8.173 -5.113 1.00 0.00 C ATOM 109 O SER A 8 1.274 8.694 -6.227 1.00 0.00 O ATOM 110 CB SER A 8 2.214 9.988 -3.693 1.00 0.00 C ATOM 111 OG SER A 8 3.489 10.604 -3.628 1.00 0.00 O ATOM 0 H SER A 8 3.736 8.218 -5.617 1.00 0.00 H new ATOM 0 HA SER A 8 2.180 7.889 -3.202 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.591 10.510 -4.420 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.716 10.073 -2.727 1.00 0.00 H new ATOM 0 HG SER A 8 3.524 11.203 -2.854 1.00 0.00 H new ATOM 117 N SER A 9 0.333 7.298 -4.737 1.00 0.00 N ATOM 118 CA SER A 9 -0.740 6.900 -5.642 1.00 0.00 C ATOM 119 C SER A 9 -2.114 7.036 -4.986 1.00 0.00 C ATOM 120 O SER A 9 -2.247 6.941 -3.766 1.00 0.00 O ATOM 121 CB SER A 9 -0.527 5.459 -6.098 1.00 0.00 C ATOM 122 OG SER A 9 -1.232 4.550 -5.270 1.00 0.00 O ATOM 0 H SER A 9 0.302 6.854 -3.819 1.00 0.00 H new ATOM 0 HA SER A 9 -0.713 7.568 -6.503 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.860 5.348 -7.130 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.537 5.222 -6.079 1.00 0.00 H new ATOM 0 HG SER A 9 -0.594 4.016 -4.752 1.00 0.00 H new ATOM 128 N ARG A 10 -3.136 7.236 -5.817 1.00 0.00 N ATOM 129 CA ARG A 10 -4.510 7.360 -5.340 1.00 0.00 C ATOM 130 C ARG A 10 -5.227 6.022 -5.484 1.00 0.00 C ATOM 131 O ARG A 10 -5.224 5.421 -6.561 1.00 0.00 O ATOM 132 CB ARG A 10 -5.251 8.443 -6.128 1.00 0.00 C ATOM 133 CG ARG A 10 -6.163 9.307 -5.272 1.00 0.00 C ATOM 134 CD ARG A 10 -6.268 10.720 -5.823 1.00 0.00 C ATOM 135 NE ARG A 10 -7.382 10.862 -6.757 1.00 0.00 N ATOM 136 CZ ARG A 10 -7.563 11.923 -7.541 1.00 0.00 C ATOM 137 NH1 ARG A 10 -6.707 12.937 -7.505 1.00 0.00 N ATOM 138 NH2 ARG A 10 -8.602 11.971 -8.363 1.00 0.00 N ATOM 0 H ARG A 10 -3.036 7.316 -6.829 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.495 7.646 -4.288 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -4.521 9.082 -6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.844 7.969 -6.910 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.155 8.858 -5.227 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.782 9.340 -4.251 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -6.394 11.422 -4.999 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.337 10.983 -6.326 1.00 0.00 H new ATOM 0 HE ARG A 10 -8.062 10.103 -6.812 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -5.906 12.906 -6.875 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -6.851 13.747 -8.108 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.263 11.195 -8.395 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.740 12.784 -8.963 1.00 0.00 H new ATOM 152 N ALA A 11 -5.829 5.546 -4.399 1.00 0.00 N ATOM 153 CA ALA A 11 -6.522 4.266 -4.428 1.00 0.00 C ATOM 154 C ALA A 11 -7.305 4.029 -3.144 1.00 0.00 C ATOM 155 O ALA A 11 -7.371 4.896 -2.276 1.00 0.00 O ATOM 156 CB ALA A 11 -5.517 3.142 -4.645 1.00 0.00 C ATOM 0 H ALA A 11 -5.851 6.023 -3.498 1.00 0.00 H new ATOM 0 HA ALA A 11 -7.234 4.282 -5.253 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -6.040 2.186 -4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -5.000 3.294 -5.593 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -4.791 3.141 -3.832 1.00 0.00 H new ATOM 162 N THR A 12 -7.891 2.844 -3.029 1.00 0.00 N ATOM 163 CA THR A 12 -8.666 2.484 -1.849 1.00 0.00 C ATOM 164 C THR A 12 -8.027 1.301 -1.134 1.00 0.00 C ATOM 165 O THR A 12 -8.263 0.147 -1.492 1.00 0.00 O ATOM 166 CB THR A 12 -10.106 2.144 -2.239 1.00 0.00 C ATOM 167 OG1 THR A 12 -10.633 3.124 -3.113 1.00 0.00 O ATOM 168 CG2 THR A 12 -11.037 2.037 -1.052 1.00 0.00 C ATOM 0 H THR A 12 -7.844 2.115 -3.740 1.00 0.00 H new ATOM 0 HA THR A 12 -8.678 3.339 -1.172 1.00 0.00 H new ATOM 0 HB THR A 12 -10.052 1.170 -2.726 1.00 0.00 H new ATOM 0 HG1 THR A 12 -11.554 2.888 -3.352 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.042 1.794 -1.398 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.684 1.252 -0.382 1.00 0.00 H new ATOM 0 HG23 THR A 12 -11.057 2.987 -0.519 1.00 0.00 H new ATOM 176 N VAL A 13 -7.212 1.594 -0.124 1.00 0.00 N ATOM 177 CA VAL A 13 -6.532 0.552 0.640 1.00 0.00 C ATOM 178 C VAL A 13 -7.490 -0.575 1.012 1.00 0.00 C ATOM 179 O VAL A 13 -8.706 -0.386 1.061 1.00 0.00 O ATOM 180 CB VAL A 13 -5.877 1.126 1.914 1.00 0.00 C ATOM 181 CG1 VAL A 13 -5.276 0.016 2.766 1.00 0.00 C ATOM 182 CG2 VAL A 13 -4.814 2.153 1.545 1.00 0.00 C ATOM 0 H VAL A 13 -7.006 2.544 0.184 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.748 0.146 0.000 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.650 1.620 2.502 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.821 0.448 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.060 -0.682 3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.516 -0.513 2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.360 2.550 2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.047 1.679 0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.273 2.967 0.984 1.00 0.00 H new ATOM 192 N MET A 14 -6.928 -1.750 1.258 1.00 0.00 N ATOM 193 CA MET A 14 -7.715 -2.922 1.610 1.00 0.00 C ATOM 194 C MET A 14 -6.870 -3.902 2.419 1.00 0.00 C ATOM 195 O MET A 14 -5.643 -3.825 2.410 1.00 0.00 O ATOM 196 CB MET A 14 -8.247 -3.605 0.341 1.00 0.00 C ATOM 197 CG MET A 14 -9.465 -4.478 0.587 1.00 0.00 C ATOM 198 SD MET A 14 -10.795 -4.166 -0.590 1.00 0.00 S ATOM 199 CE MET A 14 -12.222 -4.205 0.492 1.00 0.00 C ATOM 0 H MET A 14 -5.922 -1.917 1.220 1.00 0.00 H new ATOM 0 HA MET A 14 -8.562 -2.604 2.218 1.00 0.00 H new ATOM 0 HB2 MET A 14 -8.500 -2.841 -0.394 1.00 0.00 H new ATOM 0 HB3 MET A 14 -7.455 -4.215 -0.093 1.00 0.00 H new ATOM 0 HG2 MET A 14 -9.173 -5.527 0.529 1.00 0.00 H new ATOM 0 HG3 MET A 14 -9.833 -4.305 1.598 1.00 0.00 H new ATOM 0 HE1 MET A 14 -12.861 -3.348 0.282 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.782 -5.125 0.323 1.00 0.00 H new ATOM 0 HE3 MET A 14 -11.893 -4.166 1.530 1.00 0.00 H new ATOM 209 N LEU A 15 -7.529 -4.820 3.118 1.00 0.00 N ATOM 210 CA LEU A 15 -6.827 -5.810 3.931 1.00 0.00 C ATOM 211 C LEU A 15 -7.480 -7.181 3.796 1.00 0.00 C ATOM 212 O LEU A 15 -8.598 -7.393 4.258 1.00 0.00 O ATOM 213 CB LEU A 15 -6.808 -5.379 5.400 1.00 0.00 C ATOM 214 CG LEU A 15 -5.426 -5.025 5.957 1.00 0.00 C ATOM 215 CD1 LEU A 15 -5.490 -4.839 7.464 1.00 0.00 C ATOM 216 CD2 LEU A 15 -4.413 -6.100 5.595 1.00 0.00 C ATOM 0 H LEU A 15 -8.546 -4.900 3.139 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.800 -5.879 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.462 -4.515 5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.231 -6.182 6.003 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.105 -4.085 5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.499 -4.588 7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -6.184 -4.033 7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.833 -5.763 7.930 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.437 -5.831 5.999 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.729 -7.055 6.015 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.345 -6.186 4.510 1.00 0.00 H new ATOM 228 N TYR A 16 -6.780 -8.109 3.151 1.00 0.00 N ATOM 229 CA TYR A 16 -7.306 -9.453 2.947 1.00 0.00 C ATOM 230 C TYR A 16 -7.352 -10.251 4.242 1.00 0.00 C ATOM 231 O TYR A 16 -6.560 -10.029 5.157 1.00 0.00 O ATOM 232 CB TYR A 16 -6.472 -10.215 1.919 1.00 0.00 C ATOM 233 CG TYR A 16 -7.251 -11.296 1.208 1.00 0.00 C ATOM 234 CD1 TYR A 16 -8.028 -11.001 0.094 1.00 0.00 C ATOM 235 CD2 TYR A 16 -7.217 -12.609 1.659 1.00 0.00 C ATOM 236 CE1 TYR A 16 -8.747 -11.987 -0.553 1.00 0.00 C ATOM 237 CE2 TYR A 16 -7.933 -13.601 1.018 1.00 0.00 C ATOM 238 CZ TYR A 16 -8.697 -13.286 -0.089 1.00 0.00 C ATOM 239 OH TYR A 16 -9.414 -14.268 -0.736 1.00 0.00 O ATOM 0 H TYR A 16 -5.850 -7.955 2.762 1.00 0.00 H new ATOM 0 HA TYR A 16 -8.325 -9.335 2.578 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.083 -9.512 1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.612 -10.663 2.417 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -8.070 -9.986 -0.271 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -6.621 -12.858 2.525 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -9.346 -11.743 -1.418 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.896 -14.618 1.380 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.860 -14.668 -1.438 1.00 0.00 H new ATOM 249 N ASP A 17 -8.285 -11.194 4.293 1.00 0.00 N ATOM 250 CA ASP A 17 -8.449 -12.058 5.453 1.00 0.00 C ATOM 251 C ASP A 17 -8.336 -13.521 5.036 1.00 0.00 C ATOM 252 O ASP A 17 -9.342 -14.209 4.865 1.00 0.00 O ATOM 253 CB ASP A 17 -9.803 -11.803 6.120 1.00 0.00 C ATOM 254 CG ASP A 17 -9.760 -12.024 7.619 1.00 0.00 C ATOM 255 OD1 ASP A 17 -8.666 -11.893 8.208 1.00 0.00 O ATOM 256 OD2 ASP A 17 -10.820 -12.330 8.204 1.00 0.00 O ATOM 0 H ASP A 17 -8.944 -11.380 3.537 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.660 -11.833 6.171 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.119 -10.780 5.915 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.552 -12.462 5.680 1.00 0.00 H new ATOM 261 N ASP A 18 -7.100 -13.987 4.863 1.00 0.00 N ATOM 262 CA ASP A 18 -6.843 -15.368 4.454 1.00 0.00 C ATOM 263 C ASP A 18 -7.663 -16.357 5.278 1.00 0.00 C ATOM 264 O ASP A 18 -7.966 -17.458 4.821 1.00 0.00 O ATOM 265 CB ASP A 18 -5.354 -15.690 4.590 1.00 0.00 C ATOM 266 CG ASP A 18 -4.864 -15.571 6.020 1.00 0.00 C ATOM 267 OD1 ASP A 18 -5.119 -16.501 6.813 1.00 0.00 O ATOM 268 OD2 ASP A 18 -4.228 -14.547 6.347 1.00 0.00 O ATOM 0 H ASP A 18 -6.258 -13.427 5.000 1.00 0.00 H new ATOM 0 HA ASP A 18 -7.142 -15.466 3.411 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.170 -16.702 4.229 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.780 -15.015 3.955 1.00 0.00 H new ATOM 273 N GLY A 19 -8.018 -15.955 6.492 1.00 0.00 N ATOM 274 CA GLY A 19 -8.800 -16.816 7.360 1.00 0.00 C ATOM 275 C GLY A 19 -10.120 -17.220 6.734 1.00 0.00 C ATOM 276 O GLY A 19 -10.567 -18.358 6.887 1.00 0.00 O ATOM 0 H GLY A 19 -7.778 -15.048 6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.223 -17.711 7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.990 -16.302 8.302 1.00 0.00 H new ATOM 280 N ASN A 20 -10.745 -16.286 6.026 1.00 0.00 N ATOM 281 CA ASN A 20 -12.020 -16.546 5.368 1.00 0.00 C ATOM 282 C ASN A 20 -11.926 -16.302 3.862 1.00 0.00 C ATOM 283 O ASN A 20 -12.918 -16.420 3.144 1.00 0.00 O ATOM 284 CB ASN A 20 -13.115 -15.663 5.970 1.00 0.00 C ATOM 285 CG ASN A 20 -13.339 -15.944 7.443 1.00 0.00 C ATOM 286 OD1 ASN A 20 -12.388 -15.533 8.276 1.00 0.00 O flip ATOM 287 ND2 ASN A 20 -14.353 -16.522 7.829 1.00 0.00 N flip ATOM 0 H ASN A 20 -10.388 -15.340 5.893 1.00 0.00 H new ATOM 0 HA ASN A 20 -12.272 -17.594 5.529 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.845 -14.615 5.840 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -14.046 -15.823 5.427 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -15.058 -16.820 7.155 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -14.489 -16.703 8.823 1.00 0.00 H new ATOM 294 N LYS A 21 -10.729 -15.962 3.388 1.00 0.00 N ATOM 295 CA LYS A 21 -10.514 -15.704 1.969 1.00 0.00 C ATOM 296 C LYS A 21 -11.417 -14.576 1.477 1.00 0.00 C ATOM 297 O LYS A 21 -12.487 -14.822 0.919 1.00 0.00 O ATOM 298 CB LYS A 21 -10.763 -16.974 1.154 1.00 0.00 C ATOM 299 CG LYS A 21 -9.516 -17.516 0.473 1.00 0.00 C ATOM 300 CD LYS A 21 -9.798 -17.931 -0.962 1.00 0.00 C ATOM 301 CE LYS A 21 -8.627 -17.609 -1.876 1.00 0.00 C ATOM 302 NZ LYS A 21 -9.074 -17.291 -3.260 1.00 0.00 N ATOM 0 H LYS A 21 -9.895 -15.859 3.966 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.477 -15.396 1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.171 -17.742 1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.519 -16.767 0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.734 -16.756 0.486 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.138 -18.372 1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.006 -19.000 -0.998 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.692 -17.420 -1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.072 -16.763 -1.470 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.942 -18.457 -1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.246 -17.077 -3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.582 -18.107 -3.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.707 -16.466 -3.239 1.00 0.00 H new ATOM 316 N ARG A 22 -10.980 -13.338 1.693 1.00 0.00 N ATOM 317 CA ARG A 22 -11.747 -12.168 1.278 1.00 0.00 C ATOM 318 C ARG A 22 -11.062 -10.883 1.729 1.00 0.00 C ATOM 319 O ARG A 22 -10.263 -10.893 2.665 1.00 0.00 O ATOM 320 CB ARG A 22 -13.160 -12.229 1.861 1.00 0.00 C ATOM 321 CG ARG A 22 -13.186 -12.540 3.349 1.00 0.00 C ATOM 322 CD ARG A 22 -13.800 -11.402 4.150 1.00 0.00 C ATOM 323 NE ARG A 22 -13.421 -11.458 5.560 1.00 0.00 N ATOM 324 CZ ARG A 22 -14.066 -10.809 6.527 1.00 0.00 C ATOM 325 NH1 ARG A 22 -15.120 -10.056 6.241 1.00 0.00 N ATOM 326 NH2 ARG A 22 -13.656 -10.914 7.784 1.00 0.00 N ATOM 0 H ARG A 22 -10.097 -13.119 2.154 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.805 -12.169 0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.658 -11.275 1.688 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.732 -12.989 1.328 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.755 -13.454 3.520 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.171 -12.726 3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.483 -10.449 3.727 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.886 -11.443 4.065 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.615 -12.028 5.818 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.440 -9.972 5.276 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.610 -9.561 6.986 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.846 -11.492 8.010 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -14.150 -10.417 8.525 1.00 0.00 H new ATOM 340 N TRP A 23 -11.383 -9.776 1.066 1.00 0.00 N ATOM 341 CA TRP A 23 -10.797 -8.488 1.415 1.00 0.00 C ATOM 342 C TRP A 23 -11.415 -7.948 2.700 1.00 0.00 C ATOM 343 O TRP A 23 -12.403 -8.486 3.199 1.00 0.00 O ATOM 344 CB TRP A 23 -10.992 -7.477 0.283 1.00 0.00 C ATOM 345 CG TRP A 23 -9.992 -7.614 -0.826 1.00 0.00 C ATOM 346 CD1 TRP A 23 -10.264 -7.779 -2.150 1.00 0.00 C ATOM 347 CD2 TRP A 23 -8.565 -7.592 -0.713 1.00 0.00 C ATOM 348 NE1 TRP A 23 -9.097 -7.875 -2.868 1.00 0.00 N ATOM 349 CE2 TRP A 23 -8.040 -7.763 -2.008 1.00 0.00 C ATOM 350 CE3 TRP A 23 -7.678 -7.449 0.357 1.00 0.00 C ATOM 351 CZ2 TRP A 23 -6.671 -7.795 -2.259 1.00 0.00 C ATOM 352 CZ3 TRP A 23 -6.321 -7.479 0.105 1.00 0.00 C ATOM 353 CH2 TRP A 23 -5.829 -7.651 -1.192 1.00 0.00 C ATOM 0 H TRP A 23 -12.042 -9.745 0.288 1.00 0.00 H new ATOM 0 HA TRP A 23 -9.729 -8.638 1.571 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -11.995 -7.593 -0.128 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -10.931 -6.469 0.693 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -11.256 -7.827 -2.575 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -9.030 -8.008 -3.877 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -8.047 -7.317 1.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -6.288 -7.929 -3.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.627 -7.368 0.925 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.761 -7.671 -1.354 1.00 0.00 H new ATOM 364 N LEU A 24 -10.827 -6.884 3.228 1.00 0.00 N ATOM 365 CA LEU A 24 -11.314 -6.266 4.455 1.00 0.00 C ATOM 366 C LEU A 24 -10.726 -4.864 4.616 1.00 0.00 C ATOM 367 O LEU A 24 -9.511 -4.708 4.726 1.00 0.00 O ATOM 368 CB LEU A 24 -10.952 -7.133 5.665 1.00 0.00 C ATOM 369 CG LEU A 24 -12.140 -7.583 6.518 1.00 0.00 C ATOM 370 CD1 LEU A 24 -11.695 -8.609 7.550 1.00 0.00 C ATOM 371 CD2 LEU A 24 -12.792 -6.389 7.198 1.00 0.00 C ATOM 0 H LEU A 24 -10.008 -6.428 2.824 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.399 -6.183 4.394 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -10.421 -8.018 5.313 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.260 -6.577 6.297 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.877 -8.049 5.864 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.552 -8.919 8.148 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.274 -9.477 7.042 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.939 -8.167 8.200 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.635 -6.729 7.800 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.064 -5.893 7.840 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.145 -5.688 6.442 1.00 0.00 H new ATOM 383 N PRO A 25 -11.577 -3.822 4.629 1.00 0.00 N ATOM 384 CA PRO A 25 -11.126 -2.433 4.771 1.00 0.00 C ATOM 385 C PRO A 25 -10.042 -2.269 5.833 1.00 0.00 C ATOM 386 O PRO A 25 -10.340 -2.100 7.016 1.00 0.00 O ATOM 387 CB PRO A 25 -12.400 -1.703 5.186 1.00 0.00 C ATOM 388 CG PRO A 25 -13.498 -2.472 4.535 1.00 0.00 C ATOM 389 CD PRO A 25 -13.047 -3.910 4.501 1.00 0.00 C ATOM 0 HA PRO A 25 -10.672 -2.054 3.856 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.514 -1.688 6.270 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -12.390 -0.665 4.852 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -14.428 -2.370 5.094 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -13.688 -2.101 3.528 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.486 -4.486 5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -13.339 -4.399 3.572 1.00 0.00 H new ATOM 397 N ALA A 26 -8.783 -2.320 5.401 1.00 0.00 N ATOM 398 CA ALA A 26 -7.647 -2.177 6.308 1.00 0.00 C ATOM 399 C ALA A 26 -7.851 -1.027 7.288 1.00 0.00 C ATOM 400 O ALA A 26 -7.756 -1.205 8.503 1.00 0.00 O ATOM 401 CB ALA A 26 -6.367 -1.969 5.515 1.00 0.00 C ATOM 0 H ALA A 26 -8.524 -2.460 4.424 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.566 -3.097 6.888 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.527 -1.864 6.201 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.199 -2.827 4.864 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.456 -1.067 4.910 1.00 0.00 H new ATOM 407 N GLY A 27 -8.130 0.152 6.749 1.00 0.00 N ATOM 408 CA GLY A 27 -8.345 1.325 7.580 1.00 0.00 C ATOM 409 C GLY A 27 -9.326 1.074 8.709 1.00 0.00 C ATOM 410 O GLY A 27 -8.943 0.604 9.780 1.00 0.00 O ATOM 0 H GLY A 27 -8.212 0.320 5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.392 1.648 7.998 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.714 2.142 6.959 1.00 0.00 H new ATOM 414 N THR A 28 -10.596 1.390 8.472 1.00 0.00 N ATOM 415 CA THR A 28 -11.631 1.196 9.480 1.00 0.00 C ATOM 416 C THR A 28 -12.934 0.721 8.843 1.00 0.00 C ATOM 417 O THR A 28 -13.253 -0.467 8.870 1.00 0.00 O ATOM 418 CB THR A 28 -11.868 2.495 10.253 1.00 0.00 C ATOM 419 OG1 THR A 28 -12.173 3.558 9.367 1.00 0.00 O ATOM 420 CG2 THR A 28 -10.680 2.920 11.088 1.00 0.00 C ATOM 0 H THR A 28 -10.932 1.781 7.592 1.00 0.00 H new ATOM 0 HA THR A 28 -11.289 0.427 10.172 1.00 0.00 H new ATOM 0 HB THR A 28 -12.704 2.285 10.920 1.00 0.00 H new ATOM 0 HG1 THR A 28 -12.323 4.379 9.881 1.00 0.00 H new ATOM 0 HG21 THR A 28 -10.915 3.848 11.610 1.00 0.00 H new ATOM 0 HG22 THR A 28 -10.450 2.142 11.816 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.817 3.077 10.440 1.00 0.00 H new ATOM 428 N GLY A 29 -13.681 1.658 8.271 1.00 0.00 N ATOM 429 CA GLY A 29 -14.942 1.318 7.636 1.00 0.00 C ATOM 430 C GLY A 29 -15.074 1.918 6.249 1.00 0.00 C ATOM 431 O GLY A 29 -15.008 1.199 5.251 1.00 0.00 O ATOM 0 H GLY A 29 -13.437 2.648 8.235 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -15.031 0.234 7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -15.765 1.667 8.259 1.00 0.00 H new ATOM 435 N PRO A 30 -15.262 3.246 6.152 1.00 0.00 N ATOM 436 CA PRO A 30 -15.402 3.931 4.863 1.00 0.00 C ATOM 437 C PRO A 30 -14.287 3.566 3.889 1.00 0.00 C ATOM 438 O PRO A 30 -13.309 2.919 4.266 1.00 0.00 O ATOM 439 CB PRO A 30 -15.322 5.412 5.239 1.00 0.00 C ATOM 440 CG PRO A 30 -15.794 5.469 6.651 1.00 0.00 C ATOM 441 CD PRO A 30 -15.353 4.181 7.289 1.00 0.00 C ATOM 0 HA PRO A 30 -16.325 3.656 4.353 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -14.304 5.790 5.146 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -15.949 6.021 4.587 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.368 6.327 7.170 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -16.878 5.575 6.696 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.394 4.292 7.795 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -16.069 3.837 8.035 1.00 0.00 H new ATOM 449 N GLN A 31 -14.437 3.984 2.635 1.00 0.00 N ATOM 450 CA GLN A 31 -13.438 3.696 1.614 1.00 0.00 C ATOM 451 C GLN A 31 -13.457 4.751 0.512 1.00 0.00 C ATOM 452 O GLN A 31 -13.664 4.440 -0.661 1.00 0.00 O ATOM 453 CB GLN A 31 -13.675 2.308 1.014 1.00 0.00 C ATOM 454 CG GLN A 31 -12.898 1.206 1.712 1.00 0.00 C ATOM 455 CD GLN A 31 -13.280 -0.178 1.224 1.00 0.00 C ATOM 456 OE1 GLN A 31 -12.348 -0.848 0.556 1.00 0.00 O flip ATOM 457 NE2 GLN A 31 -14.400 -0.638 1.444 1.00 0.00 N flip ATOM 0 H GLN A 31 -15.238 4.521 2.304 1.00 0.00 H new ATOM 0 HA GLN A 31 -12.457 3.716 2.090 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.739 2.077 1.061 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.399 2.325 -0.040 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.831 1.362 1.552 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.072 1.269 2.786 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -15.085 -0.087 1.962 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.643 -1.570 1.109 1.00 0.00 H new ATOM 466 N ALA A 32 -13.230 6.002 0.897 1.00 0.00 N ATOM 467 CA ALA A 32 -13.210 7.103 -0.059 1.00 0.00 C ATOM 468 C ALA A 32 -11.798 7.328 -0.586 1.00 0.00 C ATOM 469 O ALA A 32 -11.281 8.446 -0.558 1.00 0.00 O ATOM 470 CB ALA A 32 -13.749 8.372 0.585 1.00 0.00 C ATOM 0 H ALA A 32 -13.057 6.279 1.863 1.00 0.00 H new ATOM 0 HA ALA A 32 -13.852 6.843 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -13.728 9.185 -0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.775 8.206 0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.131 8.635 1.443 1.00 0.00 H new ATOM 476 N PHE A 33 -11.175 6.254 -1.057 1.00 0.00 N ATOM 477 CA PHE A 33 -9.817 6.319 -1.583 1.00 0.00 C ATOM 478 C PHE A 33 -8.852 6.816 -0.517 1.00 0.00 C ATOM 479 O PHE A 33 -9.233 7.027 0.634 1.00 0.00 O ATOM 480 CB PHE A 33 -9.748 7.234 -2.806 1.00 0.00 C ATOM 481 CG PHE A 33 -10.269 6.595 -4.058 1.00 0.00 C ATOM 482 CD1 PHE A 33 -11.615 6.653 -4.377 1.00 0.00 C ATOM 483 CD2 PHE A 33 -9.407 5.933 -4.916 1.00 0.00 C ATOM 484 CE1 PHE A 33 -12.092 6.062 -5.531 1.00 0.00 C ATOM 485 CE2 PHE A 33 -9.877 5.341 -6.069 1.00 0.00 C ATOM 486 CZ PHE A 33 -11.222 5.404 -6.379 1.00 0.00 C ATOM 0 H PHE A 33 -11.591 5.323 -1.085 1.00 0.00 H new ATOM 0 HA PHE A 33 -9.528 5.311 -1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -10.319 8.140 -2.605 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.713 7.538 -2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.299 7.166 -3.717 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.355 5.880 -4.679 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -13.144 6.114 -5.770 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -9.194 4.828 -6.730 1.00 0.00 H new ATOM 0 HZ PHE A 33 -11.592 4.940 -7.281 1.00 0.00 H new ATOM 496 N SER A 34 -7.599 6.997 -0.909 1.00 0.00 N ATOM 497 CA SER A 34 -6.572 7.465 0.008 1.00 0.00 C ATOM 498 C SER A 34 -5.251 7.660 -0.724 1.00 0.00 C ATOM 499 O SER A 34 -4.942 6.935 -1.670 1.00 0.00 O ATOM 500 CB SER A 34 -6.388 6.467 1.156 1.00 0.00 C ATOM 501 OG SER A 34 -7.100 5.266 0.911 1.00 0.00 O ATOM 0 H SER A 34 -7.269 6.826 -1.859 1.00 0.00 H new ATOM 0 HA SER A 34 -6.891 8.423 0.418 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.328 6.245 1.282 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.733 6.914 2.088 1.00 0.00 H new ATOM 0 HG SER A 34 -7.638 5.038 1.698 1.00 0.00 H new ATOM 507 N ARG A 35 -4.470 8.633 -0.276 1.00 0.00 N ATOM 508 CA ARG A 35 -3.175 8.910 -0.884 1.00 0.00 C ATOM 509 C ARG A 35 -2.083 8.161 -0.134 1.00 0.00 C ATOM 510 O ARG A 35 -1.641 8.590 0.932 1.00 0.00 O ATOM 511 CB ARG A 35 -2.886 10.411 -0.874 1.00 0.00 C ATOM 512 CG ARG A 35 -1.638 10.793 -1.653 1.00 0.00 C ATOM 513 CD ARG A 35 -1.965 11.139 -3.097 1.00 0.00 C ATOM 514 NE ARG A 35 -1.224 12.310 -3.560 1.00 0.00 N ATOM 515 CZ ARG A 35 -1.579 13.566 -3.297 1.00 0.00 C ATOM 516 NH1 ARG A 35 -2.662 13.818 -2.573 1.00 0.00 N ATOM 517 NH2 ARG A 35 -0.849 14.571 -3.759 1.00 0.00 N ATOM 0 H ARG A 35 -4.710 9.243 0.505 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.195 8.571 -1.920 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -3.742 10.941 -1.292 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -2.777 10.745 0.158 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.156 11.645 -1.174 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.926 9.968 -1.628 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.732 10.287 -3.736 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.035 11.326 -3.192 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.384 12.156 -4.118 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -3.227 13.048 -2.215 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -2.930 14.782 -2.374 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.016 14.382 -4.316 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.121 15.533 -3.558 1.00 0.00 H new ATOM 531 N VAL A 36 -1.665 7.030 -0.687 1.00 0.00 N ATOM 532 CA VAL A 36 -0.640 6.212 -0.055 1.00 0.00 C ATOM 533 C VAL A 36 0.739 6.462 -0.648 1.00 0.00 C ATOM 534 O VAL A 36 0.946 6.350 -1.856 1.00 0.00 O ATOM 535 CB VAL A 36 -0.970 4.711 -0.159 1.00 0.00 C ATOM 536 CG1 VAL A 36 0.074 3.878 0.572 1.00 0.00 C ATOM 537 CG2 VAL A 36 -2.358 4.431 0.395 1.00 0.00 C ATOM 0 H VAL A 36 -2.019 6.660 -1.569 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.626 6.504 0.995 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.955 4.430 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.178 2.821 0.486 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.055 4.054 0.130 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.094 4.162 1.624 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.574 3.366 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.399 4.730 1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.097 4.996 -0.173 1.00 0.00 H new ATOM 547 N GLN A 37 1.678 6.783 0.229 1.00 0.00 N ATOM 548 CA GLN A 37 3.055 7.032 -0.160 1.00 0.00 C ATOM 549 C GLN A 37 3.951 5.968 0.461 1.00 0.00 C ATOM 550 O GLN A 37 3.587 5.362 1.469 1.00 0.00 O ATOM 551 CB GLN A 37 3.486 8.424 0.299 1.00 0.00 C ATOM 552 CG GLN A 37 2.974 9.543 -0.589 1.00 0.00 C ATOM 553 CD GLN A 37 3.695 10.855 -0.356 1.00 0.00 C ATOM 554 OE1 GLN A 37 4.480 11.281 -1.339 1.00 0.00 O flip ATOM 555 NE2 GLN A 37 3.549 11.479 0.695 1.00 0.00 N flip ATOM 0 H GLN A 37 1.506 6.878 1.230 1.00 0.00 H new ATOM 0 HA GLN A 37 3.142 6.986 -1.246 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.131 8.588 1.316 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.575 8.466 0.331 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.087 9.252 -1.633 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.908 9.683 -0.411 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.936 11.114 1.424 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.041 12.361 0.837 1.00 0.00 H new ATOM 564 N ILE A 38 5.112 5.731 -0.132 1.00 0.00 N ATOM 565 CA ILE A 38 6.022 4.728 0.393 1.00 0.00 C ATOM 566 C ILE A 38 7.203 5.384 1.090 1.00 0.00 C ATOM 567 O ILE A 38 7.616 6.479 0.720 1.00 0.00 O ATOM 568 CB ILE A 38 6.522 3.792 -0.723 1.00 0.00 C ATOM 569 CG1 ILE A 38 5.330 3.180 -1.458 1.00 0.00 C ATOM 570 CG2 ILE A 38 7.415 2.703 -0.147 1.00 0.00 C ATOM 571 CD1 ILE A 38 5.725 2.226 -2.561 1.00 0.00 C ATOM 0 H ILE A 38 5.442 6.214 -0.967 1.00 0.00 H new ATOM 0 HA ILE A 38 5.471 4.132 1.121 1.00 0.00 H new ATOM 0 HB ILE A 38 7.112 4.372 -1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.703 2.652 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.724 3.981 -1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.759 2.051 -0.950 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.275 3.159 0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.852 2.117 0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.828 1.830 -3.038 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.327 2.754 -3.301 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.305 1.404 -2.141 1.00 0.00 H new ATOM 583 N TYR A 39 7.735 4.717 2.104 1.00 0.00 N ATOM 584 CA TYR A 39 8.863 5.252 2.851 1.00 0.00 C ATOM 585 C TYR A 39 10.125 4.434 2.613 1.00 0.00 C ATOM 586 O TYR A 39 10.155 3.228 2.860 1.00 0.00 O ATOM 587 CB TYR A 39 8.531 5.292 4.340 1.00 0.00 C ATOM 588 CG TYR A 39 7.815 6.555 4.753 1.00 0.00 C ATOM 589 CD1 TYR A 39 6.624 6.934 4.145 1.00 0.00 C ATOM 590 CD2 TYR A 39 8.336 7.374 5.741 1.00 0.00 C ATOM 591 CE1 TYR A 39 5.975 8.095 4.512 1.00 0.00 C ATOM 592 CE2 TYR A 39 7.695 8.536 6.117 1.00 0.00 C ATOM 593 CZ TYR A 39 6.515 8.894 5.499 1.00 0.00 C ATOM 594 OH TYR A 39 5.872 10.053 5.869 1.00 0.00 O ATOM 0 H TYR A 39 7.405 3.808 2.427 1.00 0.00 H new ATOM 0 HA TYR A 39 9.052 6.266 2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.911 4.431 4.591 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.453 5.200 4.914 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.200 6.310 3.373 1.00 0.00 H new ATOM 0 HD2 TYR A 39 9.261 7.098 6.226 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.050 8.377 4.030 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.115 9.162 6.891 1.00 0.00 H new ATOM 0 HH TYR A 39 6.382 10.499 6.577 1.00 0.00 H new ATOM 604 N HIS A 40 11.166 5.101 2.127 1.00 0.00 N ATOM 605 CA HIS A 40 12.433 4.444 1.848 1.00 0.00 C ATOM 606 C HIS A 40 13.425 4.650 2.990 1.00 0.00 C ATOM 607 O HIS A 40 14.200 5.605 2.985 1.00 0.00 O ATOM 608 CB HIS A 40 13.020 4.966 0.531 1.00 0.00 C ATOM 609 CG HIS A 40 14.357 4.381 0.193 1.00 0.00 C ATOM 610 ND1 HIS A 40 15.090 3.427 0.815 1.00 0.00 N flip ATOM 611 CD2 HIS A 40 15.094 4.774 -0.904 1.00 0.00 C flip ATOM 612 CE1 HIS A 40 16.244 3.263 0.089 1.00 0.00 C flip ATOM 613 NE2 HIS A 40 16.223 4.086 -0.943 1.00 0.00 N flip ATOM 0 H HIS A 40 11.155 6.099 1.918 1.00 0.00 H new ATOM 0 HA HIS A 40 12.247 3.374 1.754 1.00 0.00 H new ATOM 0 HB2 HIS A 40 12.323 4.748 -0.278 1.00 0.00 H new ATOM 0 HB3 HIS A 40 13.112 6.051 0.589 1.00 0.00 H new ATOM 0 HD2 HIS A 40 14.796 5.526 -1.620 1.00 0.00 H new ATOM 0 HE1 HIS A 40 17.040 2.572 0.324 1.00 0.00 H new ATOM 0 HE2 HIS A 40 16.953 4.176 -1.650 1.00 0.00 H new ATOM 622 N ASN A 41 13.391 3.742 3.962 1.00 0.00 N ATOM 623 CA ASN A 41 14.288 3.807 5.114 1.00 0.00 C ATOM 624 C ASN A 41 15.497 2.895 4.911 1.00 0.00 C ATOM 625 O ASN A 41 15.405 1.686 5.116 1.00 0.00 O ATOM 626 CB ASN A 41 13.552 3.385 6.389 1.00 0.00 C ATOM 627 CG ASN A 41 12.155 3.971 6.492 1.00 0.00 C ATOM 628 OD1 ASN A 41 11.953 5.147 5.908 1.00 0.00 O flip ATOM 629 ND2 ASN A 41 11.264 3.372 7.093 1.00 0.00 N flip ATOM 0 H ASN A 41 12.749 2.949 3.975 1.00 0.00 H new ATOM 0 HA ASN A 41 14.629 4.838 5.214 1.00 0.00 H new ATOM 0 HB2 ASN A 41 13.487 2.297 6.420 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.134 3.695 7.257 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.459 2.470 7.528 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.330 3.777 7.156 1.00 0.00 H new ATOM 636 N PRO A 42 16.649 3.455 4.505 1.00 0.00 N ATOM 637 CA PRO A 42 17.861 2.673 4.282 1.00 0.00 C ATOM 638 C PRO A 42 18.651 2.436 5.567 1.00 0.00 C ATOM 639 O PRO A 42 19.447 1.502 5.651 1.00 0.00 O ATOM 640 CB PRO A 42 18.651 3.553 3.328 1.00 0.00 C ATOM 641 CG PRO A 42 18.296 4.942 3.734 1.00 0.00 C ATOM 642 CD PRO A 42 16.870 4.889 4.228 1.00 0.00 C ATOM 0 HA PRO A 42 17.646 1.675 3.901 1.00 0.00 H new ATOM 0 HB2 PRO A 42 19.723 3.374 3.416 1.00 0.00 H new ATOM 0 HB3 PRO A 42 18.379 3.360 2.290 1.00 0.00 H new ATOM 0 HG2 PRO A 42 18.965 5.301 4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 42 18.391 5.629 2.893 1.00 0.00 H new ATOM 0 HD2 PRO A 42 16.733 5.496 5.123 1.00 0.00 H new ATOM 0 HD3 PRO A 42 16.173 5.264 3.479 1.00 0.00 H new ATOM 650 N THR A 43 18.425 3.286 6.567 1.00 0.00 N ATOM 651 CA THR A 43 19.118 3.161 7.847 1.00 0.00 C ATOM 652 C THR A 43 19.031 1.731 8.370 1.00 0.00 C ATOM 653 O THR A 43 19.951 1.239 9.025 1.00 0.00 O ATOM 654 CB THR A 43 18.522 4.128 8.871 1.00 0.00 C ATOM 655 OG1 THR A 43 17.226 3.711 9.261 1.00 0.00 O ATOM 656 CG2 THR A 43 18.411 5.548 8.359 1.00 0.00 C ATOM 0 H THR A 43 17.770 4.066 6.516 1.00 0.00 H new ATOM 0 HA THR A 43 20.167 3.411 7.692 1.00 0.00 H new ATOM 0 HB THR A 43 19.212 4.115 9.715 1.00 0.00 H new ATOM 0 HG1 THR A 43 16.863 4.342 9.917 1.00 0.00 H new ATOM 0 HG21 THR A 43 17.981 6.182 9.134 1.00 0.00 H new ATOM 0 HG22 THR A 43 19.402 5.918 8.096 1.00 0.00 H new ATOM 0 HG23 THR A 43 17.770 5.568 7.477 1.00 0.00 H new ATOM 664 N ALA A 44 17.919 1.068 8.067 1.00 0.00 N ATOM 665 CA ALA A 44 17.706 -0.309 8.492 1.00 0.00 C ATOM 666 C ALA A 44 17.509 -1.236 7.294 1.00 0.00 C ATOM 667 O ALA A 44 17.348 -2.445 7.456 1.00 0.00 O ATOM 668 CB ALA A 44 16.508 -0.390 9.428 1.00 0.00 C ATOM 0 H ALA A 44 17.150 1.465 7.527 1.00 0.00 H new ATOM 0 HA ALA A 44 18.597 -0.639 9.026 1.00 0.00 H new ATOM 0 HB1 ALA A 44 16.359 -1.424 9.739 1.00 0.00 H new ATOM 0 HB2 ALA A 44 16.689 0.230 10.306 1.00 0.00 H new ATOM 0 HB3 ALA A 44 15.617 -0.034 8.910 1.00 0.00 H new ATOM 674 N ASN A 45 17.514 -0.660 6.091 1.00 0.00 N ATOM 675 CA ASN A 45 17.329 -1.432 4.867 1.00 0.00 C ATOM 676 C ASN A 45 15.913 -1.985 4.802 1.00 0.00 C ATOM 677 O ASN A 45 15.699 -3.155 4.480 1.00 0.00 O ATOM 678 CB ASN A 45 18.350 -2.572 4.781 1.00 0.00 C ATOM 679 CG ASN A 45 18.231 -3.366 3.494 1.00 0.00 C ATOM 680 OD1 ASN A 45 18.243 -4.598 3.510 1.00 0.00 O ATOM 681 ND2 ASN A 45 18.116 -2.668 2.369 1.00 0.00 N ATOM 0 H ASN A 45 17.645 0.340 5.941 1.00 0.00 H new ATOM 0 HA ASN A 45 17.487 -0.768 4.017 1.00 0.00 H new ATOM 0 HB2 ASN A 45 19.356 -2.160 4.858 1.00 0.00 H new ATOM 0 HB3 ASN A 45 18.214 -3.241 5.630 1.00 0.00 H new ATOM 0 HD21 ASN A 45 18.033 -3.152 1.475 1.00 0.00 H new ATOM 0 HD22 ASN A 45 18.110 -1.648 2.400 1.00 0.00 H new ATOM 688 N SER A 46 14.948 -1.131 5.117 1.00 0.00 N ATOM 689 CA SER A 46 13.544 -1.524 5.103 1.00 0.00 C ATOM 690 C SER A 46 12.683 -0.454 4.443 1.00 0.00 C ATOM 691 O SER A 46 13.186 0.585 4.014 1.00 0.00 O ATOM 692 CB SER A 46 13.052 -1.784 6.528 1.00 0.00 C ATOM 693 OG SER A 46 13.804 -1.041 7.472 1.00 0.00 O ATOM 0 H SER A 46 15.111 -0.161 5.386 1.00 0.00 H new ATOM 0 HA SER A 46 13.457 -2.442 4.522 1.00 0.00 H new ATOM 0 HB2 SER A 46 11.998 -1.516 6.607 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.128 -2.848 6.754 1.00 0.00 H new ATOM 0 HG SER A 46 13.468 -1.224 8.374 1.00 0.00 H new ATOM 699 N PHE A 47 11.383 -0.715 4.364 1.00 0.00 N ATOM 700 CA PHE A 47 10.450 0.223 3.754 1.00 0.00 C ATOM 701 C PHE A 47 9.131 0.249 4.516 1.00 0.00 C ATOM 702 O PHE A 47 8.966 -0.460 5.510 1.00 0.00 O ATOM 703 CB PHE A 47 10.212 -0.150 2.292 1.00 0.00 C ATOM 704 CG PHE A 47 11.385 0.158 1.410 1.00 0.00 C ATOM 705 CD1 PHE A 47 12.389 -0.774 1.222 1.00 0.00 C ATOM 706 CD2 PHE A 47 11.488 1.384 0.780 1.00 0.00 C ATOM 707 CE1 PHE A 47 13.476 -0.490 0.417 1.00 0.00 C ATOM 708 CE2 PHE A 47 12.571 1.678 -0.025 1.00 0.00 C ATOM 709 CZ PHE A 47 13.568 0.739 -0.207 1.00 0.00 C ATOM 0 H PHE A 47 10.952 -1.570 4.715 1.00 0.00 H new ATOM 0 HA PHE A 47 10.887 1.221 3.798 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.985 -1.214 2.227 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.337 0.386 1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 47 12.323 -1.735 1.710 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.711 2.122 0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.252 -1.228 0.276 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.638 2.640 -0.511 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.417 0.965 -0.835 1.00 0.00 H new ATOM 719 N ARG A 48 8.195 1.071 4.053 1.00 0.00 N ATOM 720 CA ARG A 48 6.898 1.181 4.707 1.00 0.00 C ATOM 721 C ARG A 48 5.878 1.881 3.816 1.00 0.00 C ATOM 722 O ARG A 48 6.227 2.732 2.998 1.00 0.00 O ATOM 723 CB ARG A 48 7.041 1.937 6.032 1.00 0.00 C ATOM 724 CG ARG A 48 5.722 2.179 6.748 1.00 0.00 C ATOM 725 CD ARG A 48 5.895 2.173 8.258 1.00 0.00 C ATOM 726 NE ARG A 48 5.707 3.502 8.835 1.00 0.00 N ATOM 727 CZ ARG A 48 6.141 3.853 10.043 1.00 0.00 C ATOM 728 NH1 ARG A 48 6.784 2.978 10.805 1.00 0.00 N ATOM 729 NH2 ARG A 48 5.931 5.084 10.491 1.00 0.00 N ATOM 0 H ARG A 48 8.310 1.667 3.233 1.00 0.00 H new ATOM 0 HA ARG A 48 6.536 0.171 4.901 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.703 1.374 6.690 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.521 2.897 5.842 1.00 0.00 H new ATOM 0 HG2 ARG A 48 5.307 3.136 6.433 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.005 1.410 6.460 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.180 1.480 8.702 1.00 0.00 H new ATOM 0 HD3 ARG A 48 6.891 1.807 8.508 1.00 0.00 H new ATOM 0 HE ARG A 48 5.214 4.201 8.280 1.00 0.00 H new ATOM 0 HH11 ARG A 48 6.948 2.030 10.466 1.00 0.00 H new ATOM 0 HH12 ARG A 48 7.114 3.253 11.730 1.00 0.00 H new ATOM 0 HH21 ARG A 48 5.437 5.761 9.910 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.263 5.353 11.417 1.00 0.00 H new ATOM 743 N VAL A 49 4.611 1.518 3.995 1.00 0.00 N ATOM 744 CA VAL A 49 3.525 2.108 3.228 1.00 0.00 C ATOM 745 C VAL A 49 2.674 3.000 4.124 1.00 0.00 C ATOM 746 O VAL A 49 2.169 2.556 5.156 1.00 0.00 O ATOM 747 CB VAL A 49 2.639 1.022 2.592 1.00 0.00 C ATOM 748 CG1 VAL A 49 3.359 0.357 1.429 1.00 0.00 C ATOM 749 CG2 VAL A 49 2.230 -0.010 3.633 1.00 0.00 C ATOM 0 H VAL A 49 4.313 0.813 4.670 1.00 0.00 H new ATOM 0 HA VAL A 49 3.965 2.706 2.430 1.00 0.00 H new ATOM 0 HB VAL A 49 1.736 1.496 2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.716 -0.408 0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.598 1.105 0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.280 -0.104 1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.604 -0.770 3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.121 -0.480 4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.671 0.480 4.431 1.00 0.00 H new ATOM 759 N VAL A 50 2.531 4.262 3.739 1.00 0.00 N ATOM 760 CA VAL A 50 1.756 5.216 4.525 1.00 0.00 C ATOM 761 C VAL A 50 0.719 5.924 3.663 1.00 0.00 C ATOM 762 O VAL A 50 1.065 6.623 2.712 1.00 0.00 O ATOM 763 CB VAL A 50 2.667 6.272 5.186 1.00 0.00 C ATOM 764 CG1 VAL A 50 2.024 6.814 6.452 1.00 0.00 C ATOM 765 CG2 VAL A 50 4.041 5.691 5.492 1.00 0.00 C ATOM 0 H VAL A 50 2.940 4.649 2.889 1.00 0.00 H new ATOM 0 HA VAL A 50 1.249 4.646 5.304 1.00 0.00 H new ATOM 0 HB VAL A 50 2.796 7.095 4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.681 7.557 6.904 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.068 7.276 6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.861 5.998 7.156 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.664 6.455 5.957 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.935 4.846 6.172 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.509 5.356 4.566 1.00 0.00 H new ATOM 775 N GLY A 51 -0.552 5.740 3.998 1.00 0.00 N ATOM 776 CA GLY A 51 -1.614 6.370 3.235 1.00 0.00 C ATOM 777 C GLY A 51 -2.749 6.870 4.103 1.00 0.00 C ATOM 778 O GLY A 51 -3.032 6.304 5.160 1.00 0.00 O ATOM 0 H GLY A 51 -0.866 5.168 4.782 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.201 7.205 2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.005 5.657 2.510 1.00 0.00 H new ATOM 782 N ARG A 52 -3.406 7.932 3.649 1.00 0.00 N ATOM 783 CA ARG A 52 -4.523 8.513 4.381 1.00 0.00 C ATOM 784 C ARG A 52 -5.720 8.717 3.460 1.00 0.00 C ATOM 785 O ARG A 52 -5.565 8.842 2.245 1.00 0.00 O ATOM 786 CB ARG A 52 -4.116 9.846 5.010 1.00 0.00 C ATOM 787 CG ARG A 52 -3.329 10.748 4.073 1.00 0.00 C ATOM 788 CD ARG A 52 -3.722 12.208 4.238 1.00 0.00 C ATOM 789 NE ARG A 52 -2.791 12.932 5.102 1.00 0.00 N ATOM 790 CZ ARG A 52 -2.900 12.995 6.428 1.00 0.00 C ATOM 791 NH1 ARG A 52 -3.892 12.375 7.054 1.00 0.00 N ATOM 792 NH2 ARG A 52 -2.008 13.681 7.131 1.00 0.00 N ATOM 0 H ARG A 52 -3.183 8.408 2.775 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.806 7.821 5.174 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.013 10.372 5.338 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.517 9.650 5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.263 10.634 4.268 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.500 10.439 3.042 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.756 12.687 3.260 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.727 12.268 4.657 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.010 13.419 4.662 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.580 11.844 6.519 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.967 12.429 8.070 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.242 14.158 6.656 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -2.088 13.731 8.147 1.00 0.00 H new ATOM 806 N LYS A 53 -6.912 8.745 4.043 1.00 0.00 N ATOM 807 CA LYS A 53 -8.133 8.930 3.268 1.00 0.00 C ATOM 808 C LYS A 53 -8.145 10.294 2.586 1.00 0.00 C ATOM 809 O LYS A 53 -7.352 11.175 2.920 1.00 0.00 O ATOM 810 CB LYS A 53 -9.361 8.784 4.166 1.00 0.00 C ATOM 811 CG LYS A 53 -10.418 7.845 3.604 1.00 0.00 C ATOM 812 CD LYS A 53 -10.672 6.667 4.531 1.00 0.00 C ATOM 813 CE LYS A 53 -11.243 5.478 3.774 1.00 0.00 C ATOM 814 NZ LYS A 53 -10.749 4.183 4.318 1.00 0.00 N ATOM 0 H LYS A 53 -7.059 8.642 5.047 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.163 8.160 2.498 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.045 8.419 5.143 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.806 9.767 4.322 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.347 8.394 3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.098 7.478 2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.740 6.377 5.017 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.364 6.965 5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.331 5.502 3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.974 5.555 2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.538 3.508 4.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.013 3.801 3.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.351 4.334 5.267 1.00 0.00 H new ATOM 828 N MET A 54 -9.052 10.461 1.629 1.00 0.00 N ATOM 829 CA MET A 54 -9.172 11.718 0.898 1.00 0.00 C ATOM 830 C MET A 54 -10.423 12.478 1.324 1.00 0.00 C ATOM 831 O MET A 54 -11.187 12.961 0.488 1.00 0.00 O ATOM 832 CB MET A 54 -9.207 11.453 -0.609 1.00 0.00 C ATOM 833 CG MET A 54 -8.205 10.407 -1.066 1.00 0.00 C ATOM 834 SD MET A 54 -7.678 10.649 -2.773 1.00 0.00 S ATOM 835 CE MET A 54 -6.555 12.031 -2.588 1.00 0.00 C ATOM 0 H MET A 54 -9.715 9.741 1.341 1.00 0.00 H new ATOM 0 HA MET A 54 -8.302 12.331 1.131 1.00 0.00 H new ATOM 0 HB2 MET A 54 -10.210 11.130 -0.890 1.00 0.00 H new ATOM 0 HB3 MET A 54 -9.013 12.386 -1.138 1.00 0.00 H new ATOM 0 HG2 MET A 54 -7.333 10.435 -0.413 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.648 9.416 -0.964 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.930 12.883 -3.156 1.00 0.00 H new ATOM 0 HE2 MET A 54 -6.481 12.301 -1.535 1.00 0.00 H new ATOM 0 HE3 MET A 54 -5.570 11.752 -2.961 1.00 0.00 H new ATOM 845 N GLN A 55 -10.627 12.582 2.633 1.00 0.00 N ATOM 846 CA GLN A 55 -11.785 13.286 3.174 1.00 0.00 C ATOM 847 C GLN A 55 -11.350 14.435 4.080 1.00 0.00 C ATOM 848 O GLN A 55 -10.200 14.494 4.515 1.00 0.00 O ATOM 849 CB GLN A 55 -12.688 12.321 3.949 1.00 0.00 C ATOM 850 CG GLN A 55 -11.930 11.248 4.715 1.00 0.00 C ATOM 851 CD GLN A 55 -12.768 10.606 5.802 1.00 0.00 C ATOM 852 OE1 GLN A 55 -13.446 11.293 6.566 1.00 0.00 O ATOM 853 NE2 GLN A 55 -12.725 9.280 5.879 1.00 0.00 N ATOM 0 H GLN A 55 -10.006 12.188 3.339 1.00 0.00 H new ATOM 0 HA GLN A 55 -12.347 13.699 2.337 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.297 12.892 4.650 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.373 11.840 3.251 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.593 10.479 4.019 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -11.038 11.687 5.161 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.149 8.750 5.225 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -13.268 8.793 6.592 1.00 0.00 H new ATOM 862 N PRO A 56 -12.270 15.371 4.374 1.00 0.00 N ATOM 863 CA PRO A 56 -11.977 16.527 5.229 1.00 0.00 C ATOM 864 C PRO A 56 -11.359 16.124 6.564 1.00 0.00 C ATOM 865 O PRO A 56 -10.629 16.900 7.179 1.00 0.00 O ATOM 866 CB PRO A 56 -13.351 17.164 5.448 1.00 0.00 C ATOM 867 CG PRO A 56 -14.154 16.750 4.265 1.00 0.00 C ATOM 868 CD PRO A 56 -13.664 15.378 3.893 1.00 0.00 C ATOM 0 HA PRO A 56 -11.249 17.196 4.771 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.805 16.816 6.376 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.278 18.249 5.516 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.218 16.734 4.502 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.022 17.449 3.439 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -14.257 14.597 4.369 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.719 15.210 2.817 1.00 0.00 H new ATOM 876 N ASP A 57 -11.655 14.906 7.008 1.00 0.00 N ATOM 877 CA ASP A 57 -11.128 14.406 8.272 1.00 0.00 C ATOM 878 C ASP A 57 -9.654 14.034 8.139 1.00 0.00 C ATOM 879 O ASP A 57 -8.851 14.318 9.028 1.00 0.00 O ATOM 880 CB ASP A 57 -11.935 13.193 8.741 1.00 0.00 C ATOM 881 CG ASP A 57 -12.877 13.532 9.880 1.00 0.00 C ATOM 882 OD1 ASP A 57 -12.423 13.537 11.044 1.00 0.00 O ATOM 883 OD2 ASP A 57 -14.067 13.795 9.608 1.00 0.00 O ATOM 0 H ASP A 57 -12.256 14.248 6.511 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.216 15.200 9.014 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.509 12.796 7.904 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.251 12.406 9.060 1.00 0.00 H new ATOM 888 N GLN A 58 -9.306 13.397 7.027 1.00 0.00 N ATOM 889 CA GLN A 58 -7.929 12.985 6.781 1.00 0.00 C ATOM 890 C GLN A 58 -7.451 12.016 7.857 1.00 0.00 C ATOM 891 O GLN A 58 -7.145 12.420 8.979 1.00 0.00 O ATOM 892 CB GLN A 58 -7.012 14.210 6.730 1.00 0.00 C ATOM 893 CG GLN A 58 -6.275 14.363 5.408 1.00 0.00 C ATOM 894 CD GLN A 58 -6.615 15.659 4.697 1.00 0.00 C ATOM 895 OE1 GLN A 58 -7.043 16.630 5.323 1.00 0.00 O ATOM 896 NE2 GLN A 58 -6.426 15.680 3.383 1.00 0.00 N ATOM 0 H GLN A 58 -9.958 13.155 6.281 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.893 12.474 5.819 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.606 15.106 6.911 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.283 14.142 7.537 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.201 14.323 5.588 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -6.521 13.522 4.760 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.069 14.852 2.906 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.637 16.524 2.851 1.00 0.00 H new ATOM 905 N GLN A 59 -7.391 10.734 7.509 1.00 0.00 N ATOM 906 CA GLN A 59 -6.953 9.706 8.445 1.00 0.00 C ATOM 907 C GLN A 59 -6.110 8.651 7.737 1.00 0.00 C ATOM 908 O GLN A 59 -6.428 8.234 6.624 1.00 0.00 O ATOM 909 CB GLN A 59 -8.163 9.048 9.110 1.00 0.00 C ATOM 910 CG GLN A 59 -9.018 8.234 8.152 1.00 0.00 C ATOM 911 CD GLN A 59 -10.230 7.622 8.827 1.00 0.00 C ATOM 912 OE1 GLN A 59 -11.026 8.322 9.452 1.00 0.00 O ATOM 913 NE2 GLN A 59 -10.375 6.307 8.705 1.00 0.00 N ATOM 0 H GLN A 59 -7.641 10.383 6.584 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.339 10.181 9.210 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.816 8.400 9.915 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.781 9.821 9.567 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.347 8.873 7.333 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.412 7.441 7.714 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.691 5.765 8.177 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.171 5.839 9.139 1.00 0.00 H new ATOM 922 N VAL A 60 -5.034 8.219 8.390 1.00 0.00 N ATOM 923 CA VAL A 60 -4.155 7.210 7.816 1.00 0.00 C ATOM 924 C VAL A 60 -4.851 5.856 7.746 1.00 0.00 C ATOM 925 O VAL A 60 -5.245 5.294 8.768 1.00 0.00 O ATOM 926 CB VAL A 60 -2.843 7.076 8.617 1.00 0.00 C ATOM 927 CG1 VAL A 60 -2.155 8.429 8.731 1.00 0.00 C ATOM 928 CG2 VAL A 60 -3.101 6.480 9.995 1.00 0.00 C ATOM 0 H VAL A 60 -4.753 8.551 9.312 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.910 7.539 6.806 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.182 6.395 8.081 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.231 8.320 9.298 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.927 8.806 7.734 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.814 9.130 9.242 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.159 6.397 10.538 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.783 7.125 10.549 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.546 5.491 9.886 1.00 0.00 H new ATOM 938 N VAL A 61 -5.004 5.339 6.532 1.00 0.00 N ATOM 939 CA VAL A 61 -5.658 4.054 6.327 1.00 0.00 C ATOM 940 C VAL A 61 -4.638 2.916 6.279 1.00 0.00 C ATOM 941 O VAL A 61 -4.974 1.757 6.524 1.00 0.00 O ATOM 942 CB VAL A 61 -6.499 4.055 5.030 1.00 0.00 C ATOM 943 CG1 VAL A 61 -7.326 5.328 4.928 1.00 0.00 C ATOM 944 CG2 VAL A 61 -5.612 3.898 3.804 1.00 0.00 C ATOM 0 H VAL A 61 -4.684 5.791 5.675 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.323 3.893 7.175 1.00 0.00 H new ATOM 0 HB VAL A 61 -7.178 3.203 5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.911 5.309 4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -7.998 5.395 5.784 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.663 6.193 4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.229 3.902 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.902 4.724 3.760 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.068 2.955 3.867 1.00 0.00 H new ATOM 954 N ILE A 62 -3.391 3.259 5.968 1.00 0.00 N ATOM 955 CA ILE A 62 -2.321 2.274 5.894 1.00 0.00 C ATOM 956 C ILE A 62 -1.051 2.816 6.538 1.00 0.00 C ATOM 957 O ILE A 62 -0.632 3.938 6.255 1.00 0.00 O ATOM 958 CB ILE A 62 -2.022 1.868 4.434 1.00 0.00 C ATOM 959 CG1 ILE A 62 -1.108 0.642 4.399 1.00 0.00 C ATOM 960 CG2 ILE A 62 -1.393 3.023 3.670 1.00 0.00 C ATOM 961 CD1 ILE A 62 -1.266 -0.192 3.146 1.00 0.00 C ATOM 0 H ILE A 62 -3.098 4.214 5.763 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.657 1.390 6.436 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.965 1.613 3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.071 0.969 4.480 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.315 0.019 5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.191 2.714 2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.077 3.872 3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.459 3.312 4.152 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.588 -1.044 3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.293 -0.549 3.073 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.030 0.416 2.272 1.00 0.00 H new ATOM 973 N ASN A 63 -0.447 2.021 7.412 1.00 0.00 N ATOM 974 CA ASN A 63 0.768 2.435 8.098 1.00 0.00 C ATOM 975 C ASN A 63 1.538 1.227 8.623 1.00 0.00 C ATOM 976 O ASN A 63 1.621 1.007 9.832 1.00 0.00 O ATOM 977 CB ASN A 63 0.418 3.386 9.245 1.00 0.00 C ATOM 978 CG ASN A 63 -0.518 2.754 10.256 1.00 0.00 C ATOM 979 OD1 ASN A 63 -0.761 1.548 10.227 1.00 0.00 O ATOM 980 ND2 ASN A 63 -1.053 3.571 11.157 1.00 0.00 N ATOM 0 H ASN A 63 -0.778 1.089 7.661 1.00 0.00 H new ATOM 0 HA ASN A 63 1.408 2.956 7.386 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.334 3.697 9.747 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -0.044 4.286 8.839 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -1.693 3.204 11.861 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.824 4.565 11.144 1.00 0.00 H new ATOM 987 N CYS A 64 2.099 0.446 7.705 1.00 0.00 N ATOM 988 CA CYS A 64 2.863 -0.743 8.073 1.00 0.00 C ATOM 989 C CYS A 64 4.162 -0.828 7.274 1.00 0.00 C ATOM 990 O CYS A 64 4.173 -0.602 6.064 1.00 0.00 O ATOM 991 CB CYS A 64 2.025 -2.003 7.843 1.00 0.00 C ATOM 992 SG CYS A 64 2.191 -3.246 9.146 1.00 0.00 S ATOM 0 H CYS A 64 2.039 0.614 6.701 1.00 0.00 H new ATOM 0 HA CYS A 64 3.115 -0.669 9.131 1.00 0.00 H new ATOM 0 HB2 CYS A 64 0.976 -1.719 7.758 1.00 0.00 H new ATOM 0 HB3 CYS A 64 2.312 -2.449 6.891 1.00 0.00 H new ATOM 0 HG CYS A 64 2.453 -4.402 8.612 1.00 0.00 H new ATOM 998 N ALA A 65 5.253 -1.153 7.962 1.00 0.00 N ATOM 999 CA ALA A 65 6.558 -1.267 7.320 1.00 0.00 C ATOM 1000 C ALA A 65 6.678 -2.566 6.528 1.00 0.00 C ATOM 1001 O ALA A 65 6.260 -3.626 6.992 1.00 0.00 O ATOM 1002 CB ALA A 65 7.665 -1.182 8.363 1.00 0.00 C ATOM 0 H ALA A 65 5.259 -1.342 8.964 1.00 0.00 H new ATOM 0 HA ALA A 65 6.661 -0.438 6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.635 -1.268 7.872 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.604 -0.225 8.881 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.549 -1.992 9.083 1.00 0.00 H new ATOM 1008 N ILE A 66 7.257 -2.479 5.332 1.00 0.00 N ATOM 1009 CA ILE A 66 7.435 -3.656 4.486 1.00 0.00 C ATOM 1010 C ILE A 66 8.908 -4.010 4.343 1.00 0.00 C ATOM 1011 O ILE A 66 9.722 -3.181 3.936 1.00 0.00 O ATOM 1012 CB ILE A 66 6.834 -3.465 3.076 1.00 0.00 C ATOM 1013 CG1 ILE A 66 6.926 -2.009 2.627 1.00 0.00 C ATOM 1014 CG2 ILE A 66 5.390 -3.938 3.049 1.00 0.00 C ATOM 1015 CD1 ILE A 66 6.918 -1.862 1.123 1.00 0.00 C ATOM 0 H ILE A 66 7.609 -1.611 4.929 1.00 0.00 H new ATOM 0 HA ILE A 66 6.903 -4.467 4.984 1.00 0.00 H new ATOM 0 HB ILE A 66 7.415 -4.068 2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.090 -1.450 3.047 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.839 -1.567 3.027 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.980 -3.797 2.049 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.348 -4.995 3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.805 -3.362 3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.985 -0.806 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.769 -2.396 0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.994 -2.277 0.722 1.00 0.00 H new ATOM 1027 N VAL A 67 9.244 -5.252 4.673 1.00 0.00 N ATOM 1028 CA VAL A 67 10.617 -5.722 4.573 1.00 0.00 C ATOM 1029 C VAL A 67 10.758 -6.742 3.450 1.00 0.00 C ATOM 1030 O VAL A 67 9.771 -7.130 2.825 1.00 0.00 O ATOM 1031 CB VAL A 67 11.105 -6.349 5.893 1.00 0.00 C ATOM 1032 CG1 VAL A 67 11.535 -5.264 6.870 1.00 0.00 C ATOM 1033 CG2 VAL A 67 10.023 -7.230 6.503 1.00 0.00 C ATOM 0 H VAL A 67 8.583 -5.950 5.012 1.00 0.00 H new ATOM 0 HA VAL A 67 11.235 -4.851 4.355 1.00 0.00 H new ATOM 0 HB VAL A 67 11.969 -6.977 5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 67 11.877 -5.724 7.797 1.00 0.00 H new ATOM 0 HG12 VAL A 67 12.346 -4.682 6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.690 -4.608 7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.388 -7.663 7.434 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.136 -6.630 6.705 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.769 -8.029 5.807 1.00 0.00 H new ATOM 1043 N ARG A 68 11.989 -7.168 3.193 1.00 0.00 N ATOM 1044 CA ARG A 68 12.261 -8.141 2.137 1.00 0.00 C ATOM 1045 C ARG A 68 11.314 -9.335 2.234 1.00 0.00 C ATOM 1046 O ARG A 68 11.574 -10.282 2.976 1.00 0.00 O ATOM 1047 CB ARG A 68 13.709 -8.625 2.230 1.00 0.00 C ATOM 1048 CG ARG A 68 14.076 -9.658 1.177 1.00 0.00 C ATOM 1049 CD ARG A 68 15.371 -10.374 1.527 1.00 0.00 C ATOM 1050 NE ARG A 68 16.528 -9.488 1.432 1.00 0.00 N ATOM 1051 CZ ARG A 68 17.787 -9.916 1.378 1.00 0.00 C ATOM 1052 NH1 ARG A 68 18.055 -11.216 1.411 1.00 0.00 N ATOM 1053 NH2 ARG A 68 18.782 -9.044 1.293 1.00 0.00 N ATOM 0 H ARG A 68 12.817 -6.856 3.701 1.00 0.00 H new ATOM 0 HA ARG A 68 12.102 -7.651 1.177 1.00 0.00 H new ATOM 0 HB2 ARG A 68 14.376 -7.768 2.134 1.00 0.00 H new ATOM 0 HB3 ARG A 68 13.878 -9.051 3.219 1.00 0.00 H new ATOM 0 HG2 ARG A 68 13.270 -10.386 1.084 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.179 -9.170 0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 68 15.302 -10.774 2.539 1.00 0.00 H new ATOM 0 HD3 ARG A 68 15.508 -11.223 0.857 1.00 0.00 H new ATOM 0 HE ARG A 68 16.361 -8.482 1.405 1.00 0.00 H new ATOM 0 HH11 ARG A 68 17.294 -11.892 1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 68 19.022 -11.539 1.369 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.583 -8.044 1.269 1.00 0.00 H new ATOM 0 HH22 ARG A 68 19.747 -9.373 1.252 1.00 0.00 H new ATOM 1067 N GLY A 69 10.216 -9.290 1.481 1.00 0.00 N ATOM 1068 CA GLY A 69 9.268 -10.388 1.513 1.00 0.00 C ATOM 1069 C GLY A 69 7.904 -10.041 0.940 1.00 0.00 C ATOM 1070 O GLY A 69 7.141 -10.938 0.583 1.00 0.00 O ATOM 0 H GLY A 69 9.969 -8.522 0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 69 9.682 -11.229 0.956 1.00 0.00 H new ATOM 0 HA3 GLY A 69 9.145 -10.719 2.544 1.00 0.00 H new ATOM 1074 N VAL A 70 7.578 -8.752 0.853 1.00 0.00 N ATOM 1075 CA VAL A 70 6.284 -8.346 0.323 1.00 0.00 C ATOM 1076 C VAL A 70 6.379 -8.008 -1.164 1.00 0.00 C ATOM 1077 O VAL A 70 7.133 -7.124 -1.567 1.00 0.00 O ATOM 1078 CB VAL A 70 5.706 -7.149 1.121 1.00 0.00 C ATOM 1079 CG1 VAL A 70 5.132 -6.074 0.208 1.00 0.00 C ATOM 1080 CG2 VAL A 70 4.643 -7.632 2.091 1.00 0.00 C ATOM 0 H VAL A 70 8.184 -7.983 1.139 1.00 0.00 H new ATOM 0 HA VAL A 70 5.602 -9.189 0.435 1.00 0.00 H new ATOM 0 HB VAL A 70 6.529 -6.700 1.676 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.739 -5.256 0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.917 -5.697 -0.448 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.329 -6.499 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.244 -6.783 2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.837 -8.114 1.537 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.083 -8.346 2.787 1.00 0.00 H new ATOM 1090 N LYS A 71 5.596 -8.720 -1.969 1.00 0.00 N ATOM 1091 CA LYS A 71 5.576 -8.504 -3.409 1.00 0.00 C ATOM 1092 C LYS A 71 4.275 -7.827 -3.824 1.00 0.00 C ATOM 1093 O LYS A 71 3.387 -7.615 -3.000 1.00 0.00 O ATOM 1094 CB LYS A 71 5.732 -9.833 -4.150 1.00 0.00 C ATOM 1095 CG LYS A 71 7.162 -10.347 -4.185 1.00 0.00 C ATOM 1096 CD LYS A 71 7.899 -9.865 -5.425 1.00 0.00 C ATOM 1097 CE LYS A 71 8.515 -11.023 -6.195 1.00 0.00 C ATOM 1098 NZ LYS A 71 9.815 -10.647 -6.816 1.00 0.00 N ATOM 0 H LYS A 71 4.966 -9.454 -1.645 1.00 0.00 H new ATOM 0 HA LYS A 71 6.411 -7.855 -3.672 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.098 -10.581 -3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 71 5.373 -9.714 -5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.692 -10.012 -3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.158 -11.437 -4.164 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.209 -9.323 -6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.681 -9.163 -5.135 1.00 0.00 H new ATOM 0 HE2 LYS A 71 8.665 -11.868 -5.522 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.824 -11.352 -6.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.202 -11.463 -7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.669 -9.858 -7.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.483 -10.357 -6.074 1.00 0.00 H new ATOM 1112 N TYR A 72 4.167 -7.488 -5.102 1.00 0.00 N ATOM 1113 CA TYR A 72 2.970 -6.832 -5.613 1.00 0.00 C ATOM 1114 C TYR A 72 2.230 -7.727 -6.601 1.00 0.00 C ATOM 1115 O TYR A 72 2.608 -7.829 -7.769 1.00 0.00 O ATOM 1116 CB TYR A 72 3.338 -5.498 -6.270 1.00 0.00 C ATOM 1117 CG TYR A 72 2.900 -4.292 -5.469 1.00 0.00 C ATOM 1118 CD1 TYR A 72 2.846 -4.345 -4.083 1.00 0.00 C ATOM 1119 CD2 TYR A 72 2.544 -3.101 -6.094 1.00 0.00 C ATOM 1120 CE1 TYR A 72 2.447 -3.254 -3.342 1.00 0.00 C ATOM 1121 CE2 TYR A 72 2.145 -2.002 -5.359 1.00 0.00 C ATOM 1122 CZ TYR A 72 2.097 -2.084 -3.982 1.00 0.00 C ATOM 1123 OH TYR A 72 1.702 -0.995 -3.245 1.00 0.00 O ATOM 0 H TYR A 72 4.890 -7.655 -5.801 1.00 0.00 H new ATOM 0 HA TYR A 72 2.303 -6.640 -4.772 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.418 -5.457 -6.412 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.884 -5.452 -7.260 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.122 -5.258 -3.576 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.580 -3.035 -7.171 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.409 -3.315 -2.264 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.872 -1.084 -5.859 1.00 0.00 H new ATOM 0 HH TYR A 72 0.903 -0.598 -3.650 1.00 0.00 H new ATOM 1133 N ASN A 73 1.171 -8.371 -6.120 1.00 0.00 N ATOM 1134 CA ASN A 73 0.369 -9.258 -6.953 1.00 0.00 C ATOM 1135 C ASN A 73 -0.829 -8.512 -7.534 1.00 0.00 C ATOM 1136 O ASN A 73 -1.940 -8.595 -7.010 1.00 0.00 O ATOM 1137 CB ASN A 73 -0.108 -10.463 -6.138 1.00 0.00 C ATOM 1138 CG ASN A 73 0.536 -11.758 -6.593 1.00 0.00 C ATOM 1139 OD1 ASN A 73 1.609 -12.133 -6.118 1.00 0.00 O ATOM 1140 ND2 ASN A 73 -0.119 -12.451 -7.518 1.00 0.00 N ATOM 0 H ASN A 73 0.849 -8.294 -5.155 1.00 0.00 H new ATOM 0 HA ASN A 73 0.990 -9.611 -7.776 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.118 -10.298 -5.084 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.191 -10.550 -6.222 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.264 -13.331 -7.862 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -1.005 -12.103 -7.884 1.00 0.00 H new ATOM 1147 N GLN A 74 -0.593 -7.780 -8.618 1.00 0.00 N ATOM 1148 CA GLN A 74 -1.645 -7.011 -9.277 1.00 0.00 C ATOM 1149 C GLN A 74 -2.894 -7.862 -9.498 1.00 0.00 C ATOM 1150 O GLN A 74 -2.928 -8.714 -10.386 1.00 0.00 O ATOM 1151 CB GLN A 74 -1.141 -6.462 -10.613 1.00 0.00 C ATOM 1152 CG GLN A 74 -1.050 -4.945 -10.651 1.00 0.00 C ATOM 1153 CD GLN A 74 -1.901 -4.334 -11.749 1.00 0.00 C ATOM 1154 OE1 GLN A 74 -2.093 -4.934 -12.806 1.00 0.00 O ATOM 1155 NE2 GLN A 74 -2.415 -3.136 -11.501 1.00 0.00 N ATOM 0 H GLN A 74 0.322 -7.703 -9.061 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.912 -6.178 -8.626 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.157 -6.882 -10.821 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.806 -6.798 -11.409 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.363 -4.542 -9.688 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -0.011 -4.651 -10.797 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.229 -2.676 -10.610 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -2.996 -2.675 -12.201 1.00 0.00 H new ATOM 1164 N ALA A 75 -3.918 -7.619 -8.687 1.00 0.00 N ATOM 1165 CA ALA A 75 -5.170 -8.357 -8.795 1.00 0.00 C ATOM 1166 C ALA A 75 -5.867 -8.056 -10.118 1.00 0.00 C ATOM 1167 O ALA A 75 -6.471 -8.939 -10.729 1.00 0.00 O ATOM 1168 CB ALA A 75 -6.082 -8.015 -7.626 1.00 0.00 C ATOM 0 H ALA A 75 -3.905 -6.916 -7.948 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.944 -9.423 -8.766 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.014 -8.572 -7.717 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.590 -8.281 -6.691 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.296 -6.946 -7.632 1.00 0.00 H new ATOM 1174 N THR A 76 -5.775 -6.804 -10.554 1.00 0.00 N ATOM 1175 CA THR A 76 -6.393 -6.378 -11.805 1.00 0.00 C ATOM 1176 C THR A 76 -5.617 -5.207 -12.408 1.00 0.00 C ATOM 1177 O THR A 76 -4.654 -4.724 -11.812 1.00 0.00 O ATOM 1178 CB THR A 76 -7.858 -5.983 -11.574 1.00 0.00 C ATOM 1179 OG1 THR A 76 -7.967 -4.606 -11.256 1.00 0.00 O ATOM 1180 CG2 THR A 76 -8.527 -6.761 -10.460 1.00 0.00 C ATOM 0 H THR A 76 -5.277 -6.065 -10.058 1.00 0.00 H new ATOM 0 HA THR A 76 -6.366 -7.213 -12.505 1.00 0.00 H new ATOM 0 HB THR A 76 -8.363 -6.215 -12.512 1.00 0.00 H new ATOM 0 HG1 THR A 76 -8.909 -4.377 -11.115 1.00 0.00 H new ATOM 0 HG21 THR A 76 -9.560 -6.429 -10.354 1.00 0.00 H new ATOM 0 HG22 THR A 76 -8.511 -7.825 -10.698 1.00 0.00 H new ATOM 0 HG23 THR A 76 -7.993 -6.590 -9.525 1.00 0.00 H new ATOM 1188 N PRO A 77 -6.022 -4.727 -13.598 1.00 0.00 N ATOM 1189 CA PRO A 77 -5.350 -3.605 -14.262 1.00 0.00 C ATOM 1190 C PRO A 77 -5.171 -2.410 -13.331 1.00 0.00 C ATOM 1191 O PRO A 77 -4.268 -1.595 -13.518 1.00 0.00 O ATOM 1192 CB PRO A 77 -6.296 -3.255 -15.412 1.00 0.00 C ATOM 1193 CG PRO A 77 -7.011 -4.527 -15.708 1.00 0.00 C ATOM 1194 CD PRO A 77 -7.162 -5.232 -14.388 1.00 0.00 C ATOM 0 HA PRO A 77 -4.343 -3.865 -14.589 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.992 -2.466 -15.127 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.747 -2.897 -16.283 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -7.983 -4.332 -16.160 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -6.447 -5.137 -16.414 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.115 -4.997 -13.914 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.122 -6.315 -14.504 1.00 0.00 H new ATOM 1202 N ASN A 78 -6.035 -2.315 -12.326 1.00 0.00 N ATOM 1203 CA ASN A 78 -5.970 -1.223 -11.362 1.00 0.00 C ATOM 1204 C ASN A 78 -6.175 -1.742 -9.941 1.00 0.00 C ATOM 1205 O ASN A 78 -7.169 -1.421 -9.289 1.00 0.00 O ATOM 1206 CB ASN A 78 -7.021 -0.161 -11.691 1.00 0.00 C ATOM 1207 CG ASN A 78 -8.434 -0.712 -11.650 1.00 0.00 C ATOM 1208 OD1 ASN A 78 -8.813 -1.542 -12.475 1.00 0.00 O ATOM 1209 ND2 ASN A 78 -9.221 -0.248 -10.686 1.00 0.00 N ATOM 0 H ASN A 78 -6.789 -2.981 -12.158 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.980 -0.772 -11.424 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -6.935 0.663 -10.983 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.822 0.248 -12.682 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -10.182 -0.580 -10.608 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.864 0.440 -10.023 1.00 0.00 H new ATOM 1216 N PHE A 79 -5.227 -2.545 -9.467 1.00 0.00 N ATOM 1217 CA PHE A 79 -5.304 -3.108 -8.123 1.00 0.00 C ATOM 1218 C PHE A 79 -3.978 -3.746 -7.717 1.00 0.00 C ATOM 1219 O PHE A 79 -3.602 -4.795 -8.238 1.00 0.00 O ATOM 1220 CB PHE A 79 -6.424 -4.149 -8.047 1.00 0.00 C ATOM 1221 CG PHE A 79 -7.079 -4.237 -6.696 1.00 0.00 C ATOM 1222 CD1 PHE A 79 -6.470 -4.921 -5.655 1.00 0.00 C ATOM 1223 CD2 PHE A 79 -8.309 -3.641 -6.469 1.00 0.00 C ATOM 1224 CE1 PHE A 79 -7.075 -5.005 -4.413 1.00 0.00 C ATOM 1225 CE2 PHE A 79 -8.919 -3.722 -5.232 1.00 0.00 C ATOM 1226 CZ PHE A 79 -8.301 -4.405 -4.203 1.00 0.00 C ATOM 0 H PHE A 79 -4.397 -2.820 -9.993 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.521 -2.294 -7.431 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.182 -3.909 -8.793 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -6.018 -5.126 -8.308 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.512 -5.394 -5.815 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.798 -3.106 -7.270 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.589 -5.539 -3.610 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.878 -3.252 -5.070 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.776 -4.470 -3.235 1.00 0.00 H new ATOM 1236 N HIS A 80 -3.278 -3.114 -6.776 1.00 0.00 N ATOM 1237 CA HIS A 80 -2.002 -3.637 -6.299 1.00 0.00 C ATOM 1238 C HIS A 80 -2.144 -4.180 -4.885 1.00 0.00 C ATOM 1239 O HIS A 80 -2.509 -3.452 -3.962 1.00 0.00 O ATOM 1240 CB HIS A 80 -0.920 -2.562 -6.351 1.00 0.00 C ATOM 1241 CG HIS A 80 -0.157 -2.562 -7.640 1.00 0.00 C ATOM 1242 ND1 HIS A 80 0.052 -1.429 -8.399 1.00 0.00 N ATOM 1243 CD2 HIS A 80 0.440 -3.576 -8.313 1.00 0.00 C ATOM 1244 CE1 HIS A 80 0.740 -1.746 -9.481 1.00 0.00 C ATOM 1245 NE2 HIS A 80 0.988 -3.041 -9.452 1.00 0.00 N ATOM 0 H HIS A 80 -3.572 -2.244 -6.332 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.703 -4.453 -6.956 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.380 -1.584 -6.207 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.226 -2.713 -5.524 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -0.274 -0.492 -8.161 1.00 0.00 H new ATOM 0 HD2 HIS A 80 0.477 -4.612 -8.010 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.047 -1.061 -10.258 1.00 0.00 H new ATOM 1254 N GLN A 81 -1.870 -5.469 -4.727 1.00 0.00 N ATOM 1255 CA GLN A 81 -1.984 -6.121 -3.431 1.00 0.00 C ATOM 1256 C GLN A 81 -0.662 -6.761 -3.015 1.00 0.00 C ATOM 1257 O GLN A 81 0.107 -7.223 -3.857 1.00 0.00 O ATOM 1258 CB GLN A 81 -3.103 -7.172 -3.488 1.00 0.00 C ATOM 1259 CG GLN A 81 -2.634 -8.609 -3.302 1.00 0.00 C ATOM 1260 CD GLN A 81 -3.782 -9.596 -3.253 1.00 0.00 C ATOM 1261 OE1 GLN A 81 -3.637 -10.630 -2.434 1.00 0.00 O flip ATOM 1262 NE2 GLN A 81 -4.787 -9.433 -3.944 1.00 0.00 N flip ATOM 0 H GLN A 81 -1.567 -6.083 -5.483 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.231 -5.370 -2.680 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.839 -6.942 -2.718 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.611 -7.091 -4.449 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.964 -8.877 -4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.057 -8.682 -2.380 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.856 -8.623 -4.560 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -5.551 -10.108 -3.901 1.00 0.00 H new ATOM 1271 N TRP A 82 -0.411 -6.794 -1.710 1.00 0.00 N ATOM 1272 CA TRP A 82 0.814 -7.392 -1.192 1.00 0.00 C ATOM 1273 C TRP A 82 0.592 -8.041 0.170 1.00 0.00 C ATOM 1274 O TRP A 82 -0.014 -7.450 1.063 1.00 0.00 O ATOM 1275 CB TRP A 82 1.930 -6.350 -1.094 1.00 0.00 C ATOM 1276 CG TRP A 82 1.720 -5.315 -0.029 1.00 0.00 C ATOM 1277 CD1 TRP A 82 2.169 -5.365 1.259 1.00 0.00 C ATOM 1278 CD2 TRP A 82 1.019 -4.071 -0.159 1.00 0.00 C ATOM 1279 NE1 TRP A 82 1.800 -4.229 1.935 1.00 0.00 N ATOM 1280 CE2 TRP A 82 1.092 -3.419 1.087 1.00 0.00 C ATOM 1281 CE3 TRP A 82 0.339 -3.443 -1.206 1.00 0.00 C ATOM 1282 CZ2 TRP A 82 0.514 -2.174 1.313 1.00 0.00 C ATOM 1283 CZ3 TRP A 82 -0.235 -2.206 -0.980 1.00 0.00 C ATOM 1284 CH2 TRP A 82 -0.144 -1.583 0.271 1.00 0.00 C ATOM 0 H TRP A 82 -1.035 -6.417 -0.997 1.00 0.00 H new ATOM 0 HA TRP A 82 1.113 -8.169 -1.895 1.00 0.00 H new ATOM 0 HB2 TRP A 82 2.873 -6.862 -0.905 1.00 0.00 H new ATOM 0 HB3 TRP A 82 2.028 -5.848 -2.057 1.00 0.00 H new ATOM 0 HD1 TRP A 82 2.734 -6.181 1.685 1.00 0.00 H new ATOM 0 HE1 TRP A 82 2.017 -4.022 2.910 1.00 0.00 H new ATOM 0 HE3 TRP A 82 0.263 -3.916 -2.174 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 0.583 -1.692 2.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -0.763 -1.711 -1.782 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -0.603 -0.616 0.415 1.00 0.00 H new ATOM 1295 N ARG A 83 1.100 -9.261 0.321 1.00 0.00 N ATOM 1296 CA ARG A 83 0.974 -9.996 1.573 1.00 0.00 C ATOM 1297 C ARG A 83 2.014 -9.516 2.577 1.00 0.00 C ATOM 1298 O ARG A 83 3.181 -9.902 2.510 1.00 0.00 O ATOM 1299 CB ARG A 83 1.137 -11.498 1.329 1.00 0.00 C ATOM 1300 CG ARG A 83 0.932 -12.344 2.576 1.00 0.00 C ATOM 1301 CD ARG A 83 0.991 -13.829 2.258 1.00 0.00 C ATOM 1302 NE ARG A 83 2.358 -14.344 2.295 1.00 0.00 N ATOM 1303 CZ ARG A 83 3.011 -14.632 3.419 1.00 0.00 C ATOM 1304 NH1 ARG A 83 2.426 -14.461 4.598 1.00 0.00 N ATOM 1305 NH2 ARG A 83 4.253 -15.094 3.362 1.00 0.00 N ATOM 0 H ARG A 83 1.604 -9.761 -0.411 1.00 0.00 H new ATOM 0 HA ARG A 83 -0.020 -9.812 1.981 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.425 -11.813 0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.134 -11.687 0.932 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.696 -12.098 3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.032 -12.105 3.025 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.378 -14.377 2.973 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.564 -14.005 1.271 1.00 0.00 H new ATOM 0 HE ARG A 83 2.840 -14.491 1.408 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.471 -14.107 4.647 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.932 -14.684 5.455 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.706 -15.228 2.458 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.755 -15.315 4.222 1.00 0.00 H new ATOM 1319 N ASP A 84 1.586 -8.666 3.503 1.00 0.00 N ATOM 1320 CA ASP A 84 2.479 -8.127 4.514 1.00 0.00 C ATOM 1321 C ASP A 84 2.278 -8.840 5.844 1.00 0.00 C ATOM 1322 O ASP A 84 1.168 -8.904 6.371 1.00 0.00 O ATOM 1323 CB ASP A 84 2.250 -6.624 4.678 1.00 0.00 C ATOM 1324 CG ASP A 84 3.116 -6.016 5.765 1.00 0.00 C ATOM 1325 OD1 ASP A 84 4.244 -6.510 5.971 1.00 0.00 O ATOM 1326 OD2 ASP A 84 2.665 -5.045 6.409 1.00 0.00 O ATOM 0 H ASP A 84 0.623 -8.336 3.572 1.00 0.00 H new ATOM 0 HA ASP A 84 3.506 -8.291 4.188 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.457 -6.124 3.732 1.00 0.00 H new ATOM 0 HB3 ASP A 84 1.201 -6.444 4.911 1.00 0.00 H new ATOM 1331 N ALA A 85 3.367 -9.372 6.376 1.00 0.00 N ATOM 1332 CA ALA A 85 3.339 -10.086 7.646 1.00 0.00 C ATOM 1333 C ALA A 85 2.572 -11.401 7.533 1.00 0.00 C ATOM 1334 O ALA A 85 3.169 -12.472 7.428 1.00 0.00 O ATOM 1335 CB ALA A 85 2.739 -9.210 8.738 1.00 0.00 C ATOM 0 H ALA A 85 4.290 -9.323 5.945 1.00 0.00 H new ATOM 0 HA ALA A 85 4.368 -10.325 7.914 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.726 -9.760 9.679 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.340 -8.308 8.853 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.720 -8.934 8.465 1.00 0.00 H new ATOM 1341 N ARG A 86 1.247 -11.311 7.559 1.00 0.00 N ATOM 1342 CA ARG A 86 0.397 -12.498 7.464 1.00 0.00 C ATOM 1343 C ARG A 86 -0.813 -12.234 6.573 1.00 0.00 C ATOM 1344 O ARG A 86 -1.278 -13.124 5.862 1.00 0.00 O ATOM 1345 CB ARG A 86 -0.069 -12.931 8.856 1.00 0.00 C ATOM 1346 CG ARG A 86 -1.052 -14.094 8.836 1.00 0.00 C ATOM 1347 CD ARG A 86 -0.593 -15.230 9.737 1.00 0.00 C ATOM 1348 NE ARG A 86 -1.699 -16.096 10.136 1.00 0.00 N ATOM 1349 CZ ARG A 86 -2.546 -15.809 11.121 1.00 0.00 C ATOM 1350 NH1 ARG A 86 -2.423 -14.679 11.805 1.00 0.00 N ATOM 1351 NH2 ARG A 86 -3.523 -16.654 11.421 1.00 0.00 N ATOM 0 H ARG A 86 0.737 -10.432 7.645 1.00 0.00 H new ATOM 0 HA ARG A 86 0.987 -13.299 7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.801 -13.212 9.450 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.535 -12.081 9.355 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.034 -13.747 9.158 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.163 -14.460 7.815 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.161 -15.822 9.218 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.117 -14.817 10.627 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.830 -16.972 9.630 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.675 -14.024 11.577 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.076 -14.466 12.559 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.625 -17.523 10.897 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.173 -16.435 12.176 1.00 0.00 H new ATOM 1365 N GLN A 87 -1.310 -11.005 6.611 1.00 0.00 N ATOM 1366 CA GLN A 87 -2.453 -10.618 5.809 1.00 0.00 C ATOM 1367 C GLN A 87 -1.978 -10.008 4.507 1.00 0.00 C ATOM 1368 O GLN A 87 -0.800 -10.102 4.160 1.00 0.00 O ATOM 1369 CB GLN A 87 -3.329 -9.620 6.571 1.00 0.00 C ATOM 1370 CG GLN A 87 -3.549 -9.988 8.029 1.00 0.00 C ATOM 1371 CD GLN A 87 -4.061 -8.824 8.854 1.00 0.00 C ATOM 1372 OE1 GLN A 87 -5.093 -8.924 9.518 1.00 0.00 O ATOM 1373 NE2 GLN A 87 -3.338 -7.710 8.816 1.00 0.00 N ATOM 0 H GLN A 87 -0.934 -10.258 7.194 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.050 -11.504 5.594 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.869 -8.633 6.520 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -4.296 -9.546 6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -4.261 -10.811 8.088 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.612 -10.346 8.455 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -2.489 -7.672 8.252 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -3.632 -6.893 9.351 1.00 0.00 H new ATOM 1382 N VAL A 88 -2.890 -9.391 3.783 1.00 0.00 N ATOM 1383 CA VAL A 88 -2.549 -8.776 2.514 1.00 0.00 C ATOM 1384 C VAL A 88 -3.214 -7.418 2.369 1.00 0.00 C ATOM 1385 O VAL A 88 -4.387 -7.251 2.694 1.00 0.00 O ATOM 1386 CB VAL A 88 -2.946 -9.682 1.338 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -2.330 -9.178 0.041 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -2.525 -11.120 1.620 1.00 0.00 C ATOM 0 H VAL A 88 -3.870 -9.302 4.050 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.468 -8.637 2.498 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.030 -9.656 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.623 -9.833 -0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.681 -8.166 -0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.244 -9.174 0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.811 -11.754 0.781 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.444 -11.163 1.756 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.018 -11.473 2.526 1.00 0.00 H new ATOM 1398 N TRP A 89 -2.449 -6.446 1.892 1.00 0.00 N ATOM 1399 CA TRP A 89 -2.956 -5.094 1.717 1.00 0.00 C ATOM 1400 C TRP A 89 -3.318 -4.828 0.258 1.00 0.00 C ATOM 1401 O TRP A 89 -2.449 -4.530 -0.562 1.00 0.00 O ATOM 1402 CB TRP A 89 -1.916 -4.082 2.191 1.00 0.00 C ATOM 1403 CG TRP A 89 -1.617 -4.173 3.658 1.00 0.00 C ATOM 1404 CD1 TRP A 89 -0.839 -5.107 4.285 1.00 0.00 C ATOM 1405 CD2 TRP A 89 -2.090 -3.292 4.682 1.00 0.00 C ATOM 1406 NE1 TRP A 89 -0.804 -4.859 5.637 1.00 0.00 N ATOM 1407 CE2 TRP A 89 -1.566 -3.751 5.906 1.00 0.00 C ATOM 1408 CE3 TRP A 89 -2.910 -2.160 4.684 1.00 0.00 C ATOM 1409 CZ2 TRP A 89 -1.833 -3.115 7.116 1.00 0.00 C ATOM 1410 CZ3 TRP A 89 -3.173 -1.531 5.885 1.00 0.00 C ATOM 1411 CH2 TRP A 89 -2.637 -2.009 7.086 1.00 0.00 C ATOM 0 H TRP A 89 -1.474 -6.570 1.619 1.00 0.00 H new ATOM 0 HA TRP A 89 -3.861 -4.989 2.316 1.00 0.00 H new ATOM 0 HB2 TRP A 89 -0.993 -4.232 1.630 1.00 0.00 H new ATOM 0 HB3 TRP A 89 -2.269 -3.076 1.962 1.00 0.00 H new ATOM 0 HD1 TRP A 89 -0.327 -5.920 3.791 1.00 0.00 H new ATOM 0 HE1 TRP A 89 -0.294 -5.410 6.328 1.00 0.00 H new ATOM 0 HE3 TRP A 89 -3.330 -1.784 3.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 -1.420 -3.482 8.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 -3.804 -0.654 5.898 1.00 0.00 H new ATOM 0 HH2 TRP A 89 -2.863 -1.494 8.008 1.00 0.00 H new ATOM 1422 N GLY A 90 -4.604 -4.935 -0.057 1.00 0.00 N ATOM 1423 CA GLY A 90 -5.057 -4.699 -1.416 1.00 0.00 C ATOM 1424 C GLY A 90 -5.354 -3.239 -1.679 1.00 0.00 C ATOM 1425 O GLY A 90 -6.038 -2.589 -0.894 1.00 0.00 O ATOM 0 H GLY A 90 -5.341 -5.181 0.604 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.295 -5.044 -2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -5.954 -5.289 -1.605 1.00 0.00 H new ATOM 1429 N LEU A 91 -4.832 -2.715 -2.782 1.00 0.00 N ATOM 1430 CA LEU A 91 -5.046 -1.316 -3.128 1.00 0.00 C ATOM 1431 C LEU A 91 -5.837 -1.171 -4.417 1.00 0.00 C ATOM 1432 O LEU A 91 -5.349 -1.507 -5.493 1.00 0.00 O ATOM 1433 CB LEU A 91 -3.707 -0.593 -3.276 1.00 0.00 C ATOM 1434 CG LEU A 91 -3.326 0.306 -2.103 1.00 0.00 C ATOM 1435 CD1 LEU A 91 -4.298 1.471 -1.987 1.00 0.00 C ATOM 1436 CD2 LEU A 91 -3.283 -0.502 -0.817 1.00 0.00 C ATOM 0 H LEU A 91 -4.261 -3.235 -3.448 1.00 0.00 H new ATOM 0 HA LEU A 91 -5.621 -0.867 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.923 -1.337 -3.413 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.736 0.011 -4.183 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.332 0.716 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.011 2.102 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.274 2.058 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.306 1.089 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.010 0.150 0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.264 -0.938 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.544 -1.298 -0.912 1.00 0.00 H new ATOM 1448 N ASN A 92 -7.048 -0.640 -4.309 1.00 0.00 N ATOM 1449 CA ASN A 92 -7.880 -0.425 -5.486 1.00 0.00 C ATOM 1450 C ASN A 92 -7.666 0.987 -6.014 1.00 0.00 C ATOM 1451 O ASN A 92 -8.131 1.963 -5.429 1.00 0.00 O ATOM 1452 CB ASN A 92 -9.359 -0.638 -5.169 1.00 0.00 C ATOM 1453 CG ASN A 92 -10.165 -1.030 -6.397 1.00 0.00 C ATOM 1454 OD1 ASN A 92 -9.806 -0.482 -7.560 1.00 0.00 O flip ATOM 1455 ND2 ASN A 92 -11.106 -1.820 -6.303 1.00 0.00 N flip ATOM 0 H ASN A 92 -7.473 -0.353 -3.427 1.00 0.00 H new ATOM 0 HA ASN A 92 -7.589 -1.152 -6.244 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -9.457 -1.415 -4.411 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -9.772 0.277 -4.744 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -11.349 -2.218 -5.396 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.641 -2.076 -7.132 1.00 0.00 H new ATOM 1462 N PHE A 93 -6.940 1.078 -7.121 1.00 0.00 N ATOM 1463 CA PHE A 93 -6.632 2.359 -7.737 1.00 0.00 C ATOM 1464 C PHE A 93 -7.843 2.960 -8.436 1.00 0.00 C ATOM 1465 O PHE A 93 -8.748 2.245 -8.868 1.00 0.00 O ATOM 1466 CB PHE A 93 -5.489 2.185 -8.730 1.00 0.00 C ATOM 1467 CG PHE A 93 -4.238 1.644 -8.099 1.00 0.00 C ATOM 1468 CD1 PHE A 93 -3.458 2.441 -7.276 1.00 0.00 C ATOM 1469 CD2 PHE A 93 -3.848 0.334 -8.319 1.00 0.00 C ATOM 1470 CE1 PHE A 93 -2.316 1.942 -6.688 1.00 0.00 C ATOM 1471 CE2 PHE A 93 -2.706 -0.170 -7.732 1.00 0.00 C ATOM 1472 CZ PHE A 93 -1.940 0.637 -6.914 1.00 0.00 C ATOM 0 H PHE A 93 -6.552 0.273 -7.612 1.00 0.00 H new ATOM 0 HA PHE A 93 -6.336 3.049 -6.947 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -5.807 1.513 -9.527 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -5.269 3.147 -9.193 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.749 3.465 -7.093 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.445 -0.301 -8.957 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.716 2.574 -6.050 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.412 -1.193 -7.912 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.046 0.245 -6.452 1.00 0.00 H new ATOM 1482 N GLY A 94 -7.844 4.285 -8.547 1.00 0.00 N ATOM 1483 CA GLY A 94 -8.940 4.975 -9.199 1.00 0.00 C ATOM 1484 C GLY A 94 -8.617 5.339 -10.634 1.00 0.00 C ATOM 1485 O GLY A 94 -9.512 5.440 -11.474 1.00 0.00 O ATOM 0 H GLY A 94 -7.104 4.893 -8.196 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -9.828 4.344 -9.178 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -9.179 5.881 -8.642 1.00 0.00 H new ATOM 1489 N SER A 95 -7.333 5.535 -10.917 1.00 0.00 N ATOM 1490 CA SER A 95 -6.889 5.888 -12.259 1.00 0.00 C ATOM 1491 C SER A 95 -5.759 4.970 -12.715 1.00 0.00 C ATOM 1492 O SER A 95 -5.156 4.263 -11.907 1.00 0.00 O ATOM 1493 CB SER A 95 -6.426 7.345 -12.301 1.00 0.00 C ATOM 1494 OG SER A 95 -7.483 8.205 -12.693 1.00 0.00 O ATOM 0 H SER A 95 -6.581 5.455 -10.233 1.00 0.00 H new ATOM 0 HA SER A 95 -7.732 5.764 -12.938 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.057 7.641 -11.319 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.594 7.446 -12.998 1.00 0.00 H new ATOM 0 HG SER A 95 -7.162 9.131 -12.710 1.00 0.00 H new ATOM 1500 N LYS A 96 -5.477 4.986 -14.013 1.00 0.00 N ATOM 1501 CA LYS A 96 -4.420 4.154 -14.576 1.00 0.00 C ATOM 1502 C LYS A 96 -3.045 4.630 -14.118 1.00 0.00 C ATOM 1503 O LYS A 96 -2.105 3.841 -14.022 1.00 0.00 O ATOM 1504 CB LYS A 96 -4.493 4.165 -16.104 1.00 0.00 C ATOM 1505 CG LYS A 96 -4.145 2.828 -16.740 1.00 0.00 C ATOM 1506 CD LYS A 96 -3.547 3.008 -18.125 1.00 0.00 C ATOM 1507 CE LYS A 96 -2.142 3.584 -18.055 1.00 0.00 C ATOM 1508 NZ LYS A 96 -1.107 2.517 -17.987 1.00 0.00 N ATOM 0 H LYS A 96 -5.966 5.566 -14.695 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.568 3.135 -14.218 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.499 4.452 -16.409 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -3.814 4.927 -16.486 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -3.438 2.295 -16.104 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.042 2.212 -16.807 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.522 2.047 -18.639 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.183 3.669 -18.714 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.962 4.209 -18.930 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.057 4.228 -17.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.163 2.951 -17.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -1.263 1.936 -17.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.171 1.917 -18.834 1.00 0.00 H new ATOM 1522 N GLU A 97 -2.932 5.925 -13.838 1.00 0.00 N ATOM 1523 CA GLU A 97 -1.668 6.502 -13.392 1.00 0.00 C ATOM 1524 C GLU A 97 -1.341 6.065 -11.969 1.00 0.00 C ATOM 1525 O GLU A 97 -0.231 5.611 -11.690 1.00 0.00 O ATOM 1526 CB GLU A 97 -1.723 8.030 -13.472 1.00 0.00 C ATOM 1527 CG GLU A 97 -1.145 8.591 -14.762 1.00 0.00 C ATOM 1528 CD GLU A 97 -0.717 10.040 -14.626 1.00 0.00 C ATOM 1529 OE1 GLU A 97 -0.139 10.392 -13.576 1.00 0.00 O ATOM 1530 OE2 GLU A 97 -0.961 10.822 -15.568 1.00 0.00 O ATOM 0 H GLU A 97 -3.699 6.594 -13.912 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.880 6.140 -14.052 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.759 8.354 -13.376 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -1.179 8.450 -12.626 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.288 7.989 -15.064 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -1.888 8.508 -15.555 1.00 0.00 H new ATOM 1537 N ASP A 98 -2.313 6.200 -11.070 1.00 0.00 N ATOM 1538 CA ASP A 98 -2.123 5.812 -9.675 1.00 0.00 C ATOM 1539 C ASP A 98 -1.548 4.403 -9.580 1.00 0.00 C ATOM 1540 O ASP A 98 -0.475 4.193 -9.014 1.00 0.00 O ATOM 1541 CB ASP A 98 -3.451 5.882 -8.918 1.00 0.00 C ATOM 1542 CG ASP A 98 -4.095 7.252 -9.005 1.00 0.00 C ATOM 1543 OD1 ASP A 98 -3.355 8.258 -8.984 1.00 0.00 O ATOM 1544 OD2 ASP A 98 -5.338 7.318 -9.095 1.00 0.00 O ATOM 0 H ASP A 98 -3.238 6.574 -11.282 1.00 0.00 H new ATOM 0 HA ASP A 98 -1.417 6.508 -9.222 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -4.136 5.136 -9.321 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -3.283 5.628 -7.871 1.00 0.00 H new ATOM 1549 N ALA A 99 -2.274 3.442 -10.142 1.00 0.00 N ATOM 1550 CA ALA A 99 -1.847 2.048 -10.130 1.00 0.00 C ATOM 1551 C ALA A 99 -0.416 1.892 -10.638 1.00 0.00 C ATOM 1552 O ALA A 99 0.369 1.122 -10.083 1.00 0.00 O ATOM 1553 CB ALA A 99 -2.799 1.205 -10.963 1.00 0.00 C ATOM 0 H ALA A 99 -3.164 3.604 -10.613 1.00 0.00 H new ATOM 0 HA ALA A 99 -1.868 1.700 -9.097 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.472 0.165 -10.948 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -3.805 1.275 -10.549 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -2.804 1.569 -11.990 1.00 0.00 H new ATOM 1559 N ALA A 100 -0.082 2.622 -11.699 1.00 0.00 N ATOM 1560 CA ALA A 100 1.254 2.553 -12.279 1.00 0.00 C ATOM 1561 C ALA A 100 2.282 3.263 -11.402 1.00 0.00 C ATOM 1562 O ALA A 100 3.434 2.839 -11.311 1.00 0.00 O ATOM 1563 CB ALA A 100 1.251 3.152 -13.678 1.00 0.00 C ATOM 0 H ALA A 100 -0.716 3.266 -12.172 1.00 0.00 H new ATOM 0 HA ALA A 100 1.538 1.502 -12.341 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.254 3.095 -14.100 1.00 0.00 H new ATOM 0 HB2 ALA A 100 0.559 2.596 -14.310 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.938 4.195 -13.627 1.00 0.00 H new ATOM 1569 N GLN A 101 1.860 4.348 -10.762 1.00 0.00 N ATOM 1570 CA GLN A 101 2.747 5.120 -9.898 1.00 0.00 C ATOM 1571 C GLN A 101 3.009 4.392 -8.583 1.00 0.00 C ATOM 1572 O GLN A 101 4.148 4.314 -8.116 1.00 0.00 O ATOM 1573 CB GLN A 101 2.145 6.498 -9.620 1.00 0.00 C ATOM 1574 CG GLN A 101 3.160 7.522 -9.137 1.00 0.00 C ATOM 1575 CD GLN A 101 4.292 7.732 -10.123 1.00 0.00 C ATOM 1576 OE1 GLN A 101 5.272 6.837 -10.094 1.00 0.00 O flip ATOM 1577 NE2 GLN A 101 4.287 8.686 -10.900 1.00 0.00 N flip ATOM 0 H GLN A 101 0.910 4.713 -10.825 1.00 0.00 H new ATOM 0 HA GLN A 101 3.699 5.241 -10.416 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.673 6.869 -10.530 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.359 6.397 -8.871 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.656 8.472 -8.961 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.571 7.197 -8.181 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.513 9.350 -10.888 1.00 0.00 H new ATOM 0 HE22 GLN A 101 5.057 8.813 -11.557 1.00 0.00 H new ATOM 1586 N PHE A 102 1.945 3.863 -7.984 1.00 0.00 N ATOM 1587 CA PHE A 102 2.060 3.147 -6.719 1.00 0.00 C ATOM 1588 C PHE A 102 3.121 2.053 -6.805 1.00 0.00 C ATOM 1589 O PHE A 102 4.046 2.012 -5.995 1.00 0.00 O ATOM 1590 CB PHE A 102 0.707 2.556 -6.316 1.00 0.00 C ATOM 1591 CG PHE A 102 0.553 2.381 -4.833 1.00 0.00 C ATOM 1592 CD1 PHE A 102 0.837 3.432 -3.979 1.00 0.00 C ATOM 1593 CD2 PHE A 102 0.126 1.176 -4.292 1.00 0.00 C ATOM 1594 CE1 PHE A 102 0.698 3.291 -2.615 1.00 0.00 C ATOM 1595 CE2 PHE A 102 -0.013 1.031 -2.925 1.00 0.00 C ATOM 1596 CZ PHE A 102 0.272 2.089 -2.086 1.00 0.00 C ATOM 0 H PHE A 102 0.996 3.917 -8.354 1.00 0.00 H new ATOM 0 HA PHE A 102 2.371 3.857 -5.953 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.089 3.205 -6.683 1.00 0.00 H new ATOM 0 HB3 PHE A 102 0.581 1.589 -6.804 1.00 0.00 H new ATOM 0 HD1 PHE A 102 1.172 4.375 -4.386 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.099 0.345 -4.945 1.00 0.00 H new ATOM 0 HE1 PHE A 102 0.922 4.120 -1.960 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.345 0.089 -2.513 1.00 0.00 H new ATOM 0 HZ PHE A 102 0.162 1.977 -1.017 1.00 0.00 H new ATOM 1606 N ALA A 103 2.993 1.179 -7.798 1.00 0.00 N ATOM 1607 CA ALA A 103 3.955 0.104 -7.989 1.00 0.00 C ATOM 1608 C ALA A 103 5.347 0.669 -8.240 1.00 0.00 C ATOM 1609 O ALA A 103 6.353 0.063 -7.871 1.00 0.00 O ATOM 1610 CB ALA A 103 3.534 -0.783 -9.148 1.00 0.00 C ATOM 0 H ALA A 103 2.235 1.195 -8.480 1.00 0.00 H new ATOM 0 HA ALA A 103 3.983 -0.496 -7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.264 -1.582 -9.278 1.00 0.00 H new ATOM 0 HB2 ALA A 103 2.556 -1.215 -8.939 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.480 -0.189 -10.060 1.00 0.00 H new ATOM 1616 N ALA A 104 5.392 1.838 -8.875 1.00 0.00 N ATOM 1617 CA ALA A 104 6.654 2.503 -9.185 1.00 0.00 C ATOM 1618 C ALA A 104 7.595 2.486 -7.986 1.00 0.00 C ATOM 1619 O ALA A 104 8.644 1.839 -8.008 1.00 0.00 O ATOM 1620 CB ALA A 104 6.395 3.937 -9.627 1.00 0.00 C ATOM 0 H ALA A 104 4.564 2.346 -9.186 1.00 0.00 H new ATOM 0 HA ALA A 104 7.133 1.958 -9.998 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.343 4.424 -9.856 1.00 0.00 H new ATOM 0 HB2 ALA A 104 5.764 3.935 -10.516 1.00 0.00 H new ATOM 0 HB3 ALA A 104 5.892 4.479 -8.826 1.00 0.00 H new ATOM 1626 N GLY A 105 7.203 3.195 -6.936 1.00 0.00 N ATOM 1627 CA GLY A 105 8.019 3.243 -5.737 1.00 0.00 C ATOM 1628 C GLY A 105 8.052 1.915 -5.025 1.00 0.00 C ATOM 1629 O GLY A 105 9.108 1.461 -4.585 1.00 0.00 O ATOM 0 H GLY A 105 6.339 3.736 -6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.034 3.539 -6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.630 4.006 -5.063 1.00 0.00 H new ATOM 1633 N MET A 106 6.887 1.288 -4.918 1.00 0.00 N ATOM 1634 CA MET A 106 6.773 -0.003 -4.260 1.00 0.00 C ATOM 1635 C MET A 106 7.852 -0.949 -4.761 1.00 0.00 C ATOM 1636 O MET A 106 8.681 -1.427 -3.989 1.00 0.00 O ATOM 1637 CB MET A 106 5.398 -0.605 -4.518 1.00 0.00 C ATOM 1638 CG MET A 106 5.240 -1.993 -3.935 1.00 0.00 C ATOM 1639 SD MET A 106 4.964 -1.959 -2.157 1.00 0.00 S ATOM 1640 CE MET A 106 5.223 -3.683 -1.770 1.00 0.00 C ATOM 0 H MET A 106 6.007 1.656 -5.280 1.00 0.00 H new ATOM 0 HA MET A 106 6.902 0.143 -3.188 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.636 0.049 -4.095 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.222 -0.646 -5.593 1.00 0.00 H new ATOM 0 HG2 MET A 106 4.404 -2.496 -4.421 1.00 0.00 H new ATOM 0 HG3 MET A 106 6.133 -2.579 -4.151 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.291 -4.119 -1.410 1.00 0.00 H new ATOM 0 HE2 MET A 106 5.549 -4.212 -2.666 1.00 0.00 H new ATOM 0 HE3 MET A 106 5.987 -3.772 -0.998 1.00 0.00 H new ATOM 1650 N ALA A 107 7.842 -1.200 -6.064 1.00 0.00 N ATOM 1651 CA ALA A 107 8.832 -2.072 -6.677 1.00 0.00 C ATOM 1652 C ALA A 107 10.224 -1.689 -6.194 1.00 0.00 C ATOM 1653 O ALA A 107 11.045 -2.549 -5.883 1.00 0.00 O ATOM 1654 CB ALA A 107 8.749 -1.991 -8.194 1.00 0.00 C ATOM 0 H ALA A 107 7.159 -0.812 -6.715 1.00 0.00 H new ATOM 0 HA ALA A 107 8.628 -3.101 -6.383 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.497 -2.650 -8.635 1.00 0.00 H new ATOM 0 HB2 ALA A 107 7.756 -2.299 -8.521 1.00 0.00 H new ATOM 0 HB3 ALA A 107 8.935 -0.966 -8.514 1.00 0.00 H new ATOM 1660 N SER A 108 10.466 -0.383 -6.111 1.00 0.00 N ATOM 1661 CA SER A 108 11.746 0.126 -5.641 1.00 0.00 C ATOM 1662 C SER A 108 12.026 -0.368 -4.224 1.00 0.00 C ATOM 1663 O SER A 108 13.173 -0.634 -3.865 1.00 0.00 O ATOM 1664 CB SER A 108 11.758 1.656 -5.674 1.00 0.00 C ATOM 1665 OG SER A 108 13.048 2.150 -5.993 1.00 0.00 O ATOM 0 H SER A 108 9.791 0.339 -6.363 1.00 0.00 H new ATOM 0 HA SER A 108 12.528 -0.245 -6.304 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.037 2.013 -6.409 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.445 2.046 -4.705 1.00 0.00 H new ATOM 0 HG SER A 108 13.028 3.130 -6.009 1.00 0.00 H new ATOM 1671 N ALA A 109 10.967 -0.500 -3.424 1.00 0.00 N ATOM 1672 CA ALA A 109 11.108 -0.975 -2.049 1.00 0.00 C ATOM 1673 C ALA A 109 11.459 -2.457 -2.024 1.00 0.00 C ATOM 1674 O ALA A 109 12.332 -2.889 -1.274 1.00 0.00 O ATOM 1675 CB ALA A 109 9.827 -0.732 -1.260 1.00 0.00 C ATOM 0 H ALA A 109 10.009 -0.286 -3.703 1.00 0.00 H new ATOM 0 HA ALA A 109 11.918 -0.415 -1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 109 9.954 -1.093 -0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.607 0.336 -1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.002 -1.264 -1.733 1.00 0.00 H new ATOM 1681 N LEU A 110 10.758 -3.223 -2.848 1.00 0.00 N ATOM 1682 CA LEU A 110 10.965 -4.667 -2.932 1.00 0.00 C ATOM 1683 C LEU A 110 12.277 -5.004 -3.638 1.00 0.00 C ATOM 1684 O LEU A 110 12.935 -5.989 -3.306 1.00 0.00 O ATOM 1685 CB LEU A 110 9.790 -5.332 -3.664 1.00 0.00 C ATOM 1686 CG LEU A 110 8.469 -4.553 -3.632 1.00 0.00 C ATOM 1687 CD1 LEU A 110 7.359 -5.343 -4.300 1.00 0.00 C ATOM 1688 CD2 LEU A 110 8.084 -4.204 -2.201 1.00 0.00 C ATOM 0 H LEU A 110 10.035 -2.868 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 110 11.020 -5.053 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 110 10.074 -5.489 -4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 110 9.622 -6.316 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 110 8.612 -3.626 -4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 110 6.432 -4.770 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 110 7.626 -5.538 -5.339 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.220 -6.289 -3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.144 -3.652 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.966 -5.120 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 110 8.865 -3.590 -1.753 1.00 0.00 H new ATOM 1700 N GLU A 111 12.650 -4.184 -4.615 1.00 0.00 N ATOM 1701 CA GLU A 111 13.883 -4.400 -5.371 1.00 0.00 C ATOM 1702 C GLU A 111 15.109 -4.016 -4.557 1.00 0.00 C ATOM 1703 O GLU A 111 16.213 -4.504 -4.805 1.00 0.00 O ATOM 1704 CB GLU A 111 13.855 -3.591 -6.661 1.00 0.00 C ATOM 1705 CG GLU A 111 14.229 -4.407 -7.880 1.00 0.00 C ATOM 1706 CD GLU A 111 13.648 -3.845 -9.164 1.00 0.00 C ATOM 1707 OE1 GLU A 111 12.555 -3.243 -9.107 1.00 0.00 O ATOM 1708 OE2 GLU A 111 14.286 -4.007 -10.225 1.00 0.00 O ATOM 0 H GLU A 111 12.118 -3.363 -4.903 1.00 0.00 H new ATOM 0 HA GLU A 111 13.946 -5.463 -5.605 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.857 -3.176 -6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.541 -2.749 -6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 111 15.315 -4.448 -7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 111 13.881 -5.431 -7.747 1.00 0.00 H new ATOM 1715 N ALA A 112 14.904 -3.161 -3.571 1.00 0.00 N ATOM 1716 CA ALA A 112 15.984 -2.727 -2.700 1.00 0.00 C ATOM 1717 C ALA A 112 15.899 -3.483 -1.392 1.00 0.00 C ATOM 1718 O ALA A 112 16.739 -3.336 -0.505 1.00 0.00 O ATOM 1719 CB ALA A 112 15.913 -1.226 -2.458 1.00 0.00 C ATOM 0 H ALA A 112 13.996 -2.751 -3.352 1.00 0.00 H new ATOM 0 HA ALA A 112 16.940 -2.939 -3.179 1.00 0.00 H new ATOM 0 HB1 ALA A 112 16.731 -0.924 -1.804 1.00 0.00 H new ATOM 0 HB2 ALA A 112 15.996 -0.700 -3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 112 14.961 -0.978 -1.988 1.00 0.00 H new ATOM 1725 N LEU A 113 14.855 -4.295 -1.288 1.00 0.00 N ATOM 1726 CA LEU A 113 14.612 -5.090 -0.110 1.00 0.00 C ATOM 1727 C LEU A 113 15.247 -6.469 -0.253 1.00 0.00 C ATOM 1728 O LEU A 113 15.844 -6.992 0.689 1.00 0.00 O ATOM 1729 CB LEU A 113 13.106 -5.209 0.091 1.00 0.00 C ATOM 1730 CG LEU A 113 12.523 -4.321 1.191 1.00 0.00 C ATOM 1731 CD1 LEU A 113 11.052 -4.635 1.407 1.00 0.00 C ATOM 1732 CD2 LEU A 113 13.307 -4.486 2.485 1.00 0.00 C ATOM 0 H LEU A 113 14.158 -4.415 -2.023 1.00 0.00 H new ATOM 0 HA LEU A 113 15.062 -4.609 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.610 -4.968 -0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 113 12.867 -6.248 0.320 1.00 0.00 H new ATOM 0 HG LEU A 113 12.606 -3.281 0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 113 10.655 -3.993 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 113 10.503 -4.458 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.942 -5.679 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.877 -3.846 3.255 1.00 0.00 H new ATOM 0 HD22 LEU A 113 13.260 -5.526 2.809 1.00 0.00 H new ATOM 0 HD23 LEU A 113 14.347 -4.205 2.319 1.00 0.00 H new ATOM 1744 N GLU A 114 15.119 -7.047 -1.442 1.00 0.00 N ATOM 1745 CA GLU A 114 15.683 -8.363 -1.719 1.00 0.00 C ATOM 1746 C GLU A 114 17.006 -8.240 -2.467 1.00 0.00 C ATOM 1747 O GLU A 114 17.897 -9.075 -2.313 1.00 0.00 O ATOM 1748 CB GLU A 114 14.698 -9.203 -2.537 1.00 0.00 C ATOM 1749 CG GLU A 114 13.251 -9.064 -2.087 1.00 0.00 C ATOM 1750 CD GLU A 114 12.661 -10.375 -1.604 1.00 0.00 C ATOM 1751 OE1 GLU A 114 13.433 -11.233 -1.125 1.00 0.00 O ATOM 1752 OE2 GLU A 114 11.427 -10.543 -1.702 1.00 0.00 O ATOM 0 H GLU A 114 14.629 -6.624 -2.231 1.00 0.00 H new ATOM 0 HA GLU A 114 15.868 -8.859 -0.766 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.772 -8.914 -3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.989 -10.251 -2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 114 13.193 -8.327 -1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 114 12.652 -8.683 -2.914 1.00 0.00 H new ATOM 1759 N GLY A 115 17.128 -7.192 -3.278 1.00 0.00 N ATOM 1760 CA GLY A 115 18.347 -6.980 -4.036 1.00 0.00 C ATOM 1761 C GLY A 115 18.663 -8.138 -4.963 1.00 0.00 C ATOM 1762 O GLY A 115 19.758 -8.136 -5.564 1.00 0.00 O ATOM 1763 OXT GLY A 115 17.816 -9.048 -5.087 1.00 0.00 O ATOM 0 H GLY A 115 16.405 -6.487 -3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 115 18.253 -6.065 -4.621 1.00 0.00 H new ATOM 0 HA3 GLY A 115 19.179 -6.833 -3.347 1.00 0.00 H new