USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 991 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 25 HIS : no HE2:sc= -4.39! C(o=-4.2!,f=-6.7!) USER MOD Set 1.2: A 114 SER OG : rot 65:sc= 0.195 USER MOD Set 2.1: A 90 LYS NZ :NH3+ 164:sc= -0.169 (180deg=-0.406) USER MOD Set 2.2: A 94 GLN :FLIP amide:sc= -0.0745 F(o=-1.2,f=-0.24) USER MOD Set 3.1: A 48 ASN : amide:sc= -0.0896 X(o=-0.09,f=0.14) USER MOD Set 3.2: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 24 LYS NZ :NH3+ -128:sc= 0.529 (180deg=0) USER MOD Set 4.2: A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -96:sc= 0.0273 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 141:sc= 0.363 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.136 F(o=-1.8!,f=-0.14) USER MOD Single : A 36 THR OG1 : rot 167:sc= 1.42 USER MOD Single : A 38 GLN : amide:sc= -0.0923 K(o=-0.092,f=-0.93) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.0083) USER MOD Single : A 49 LYS NZ :NH3+ -167:sc=-0.000548 (180deg=-0.0474) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 45:sc= 1 USER MOD Single : A 54 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.21) USER MOD Single : A 56 ASN : amide:sc= -0.0912 X(o=-0.091,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -6.97! C(o=-7!,f=-7!) USER MOD Single : A 63 CYS SG : rot -90:sc= -1.33 USER MOD Single : A 64 GLN : amide:sc= -0.016 K(o=-0.016,f=-0.91) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 17:sc= -3.02! USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0285 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -0.138 K(o=-0.14,f=-2.3!) USER MOD Single : A 91 LYS NZ :NH3+ 153:sc= -0.0211 (180deg=-0.785) USER MOD Single : A 95 THR OG1 : rot 106:sc= 1.22 USER MOD Single : A 96 THR OG1 : rot 67:sc= 1.23 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -0.361 F(o=-1.6,f=-0.36) USER MOD Single : A 103 THR OG1 : rot 100:sc= -0.183 USER MOD Single : A 109 MET CE :methyl 153:sc= -1.25 (180deg=-2.98!) USER MOD Single : A 110 ASN : amide:sc= -0.189 K(o=-0.19,f=-2) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.217 K(o=-0.22,f=-1.8) USER MOD Single : A 122 LYS NZ :NH3+ -151:sc= 0.189 (180deg=0.0178) USER MOD Single : A 123 HIS : no HD1:sc= -0.0029 X(o=-0.0029,f=0) USER MOD Single : A 124 HIS : no HD1:sc= -0.0563 X(o=-0.056,f=-0.17) USER MOD Single : A 125 SER OG : rot -53:sc= 1.14 USER MOD Single : A 126 SER OG : rot -61:sc= 0.248 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= -0.093 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.246 5.779 27.033 1.00 0.00 N ATOM 2 CA GLY A 1 -8.275 7.189 26.690 1.00 0.00 C ATOM 3 C GLY A 1 -7.307 7.535 25.576 1.00 0.00 C ATOM 4 O GLY A 1 -6.267 6.894 25.427 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.007 5.283 26.527 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.328 5.374 26.760 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.382 5.668 28.058 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.285 7.466 26.388 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.033 7.780 27.574 1.00 0.00 H new ATOM 8 N SER A 2 -7.650 8.550 24.790 1.00 0.00 N ATOM 9 CA SER A 2 -6.806 8.977 23.680 1.00 0.00 C ATOM 10 C SER A 2 -6.437 10.451 23.814 1.00 0.00 C ATOM 11 O SER A 2 -7.275 11.332 23.620 1.00 0.00 O ATOM 12 CB SER A 2 -7.519 8.737 22.348 1.00 0.00 C ATOM 13 OG SER A 2 -7.768 7.357 22.145 1.00 0.00 O ATOM 0 H SER A 2 -8.507 9.092 24.901 1.00 0.00 H new ATOM 0 HA SER A 2 -5.890 8.387 23.705 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.461 9.286 22.332 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.910 9.124 21.531 1.00 0.00 H new ATOM 0 HG SER A 2 -8.226 7.230 21.288 1.00 0.00 H new ATOM 19 N SER A 3 -5.177 10.712 24.146 1.00 0.00 N ATOM 20 CA SER A 3 -4.696 12.079 24.310 1.00 0.00 C ATOM 21 C SER A 3 -3.829 12.495 23.126 1.00 0.00 C ATOM 22 O SER A 3 -2.789 13.130 23.297 1.00 0.00 O ATOM 23 CB SER A 3 -3.901 12.210 25.611 1.00 0.00 C ATOM 24 OG SER A 3 -2.777 11.347 25.610 1.00 0.00 O ATOM 0 H SER A 3 -4.470 9.994 24.307 1.00 0.00 H new ATOM 0 HA SER A 3 -5.562 12.740 24.354 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.572 13.241 25.737 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.544 11.974 26.459 1.00 0.00 H new ATOM 0 HG SER A 3 -2.284 11.450 26.451 1.00 0.00 H new ATOM 30 N GLY A 4 -4.266 12.133 21.924 1.00 0.00 N ATOM 31 CA GLY A 4 -3.519 12.477 20.728 1.00 0.00 C ATOM 32 C GLY A 4 -4.412 12.646 19.515 1.00 0.00 C ATOM 33 O GLY A 4 -4.593 11.712 18.734 1.00 0.00 O ATOM 0 H GLY A 4 -5.124 11.608 21.757 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.968 13.401 20.901 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.782 11.699 20.527 1.00 0.00 H new ATOM 37 N SER A 5 -4.974 13.841 19.358 1.00 0.00 N ATOM 38 CA SER A 5 -5.857 14.128 18.234 1.00 0.00 C ATOM 39 C SER A 5 -5.300 13.541 16.941 1.00 0.00 C ATOM 40 O SER A 5 -4.086 13.487 16.743 1.00 0.00 O ATOM 41 CB SER A 5 -6.049 15.638 18.082 1.00 0.00 C ATOM 42 OG SER A 5 -4.801 16.308 18.028 1.00 0.00 O ATOM 0 H SER A 5 -4.833 14.625 19.995 1.00 0.00 H new ATOM 0 HA SER A 5 -6.823 13.665 18.435 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.617 15.846 17.175 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.634 16.019 18.919 1.00 0.00 H new ATOM 0 HG SER A 5 -4.951 17.271 17.929 1.00 0.00 H new ATOM 48 N SER A 6 -6.196 13.103 16.062 1.00 0.00 N ATOM 49 CA SER A 6 -5.795 12.517 14.789 1.00 0.00 C ATOM 50 C SER A 6 -5.303 13.594 13.826 1.00 0.00 C ATOM 51 O SER A 6 -6.072 14.444 13.381 1.00 0.00 O ATOM 52 CB SER A 6 -6.965 11.754 14.163 1.00 0.00 C ATOM 53 OG SER A 6 -6.667 11.364 12.834 1.00 0.00 O ATOM 0 H SER A 6 -7.205 13.143 16.209 1.00 0.00 H new ATOM 0 HA SER A 6 -4.977 11.822 14.979 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.190 10.872 14.762 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.857 12.380 14.170 1.00 0.00 H new ATOM 0 HG SER A 6 -7.020 10.464 12.670 1.00 0.00 H new ATOM 59 N GLY A 7 -4.012 13.550 13.509 1.00 0.00 N ATOM 60 CA GLY A 7 -3.437 14.526 12.602 1.00 0.00 C ATOM 61 C GLY A 7 -3.290 13.990 11.192 1.00 0.00 C ATOM 62 O GLY A 7 -4.126 14.256 10.329 1.00 0.00 O ATOM 0 H GLY A 7 -3.355 12.856 13.864 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.065 15.416 12.585 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.460 14.832 12.975 1.00 0.00 H new ATOM 66 N MET A 8 -2.223 13.233 10.956 1.00 0.00 N ATOM 67 CA MET A 8 -1.968 12.659 9.640 1.00 0.00 C ATOM 68 C MET A 8 -2.020 11.136 9.692 1.00 0.00 C ATOM 69 O MET A 8 -1.614 10.525 10.681 1.00 0.00 O ATOM 70 CB MET A 8 -0.607 13.118 9.115 1.00 0.00 C ATOM 71 CG MET A 8 -0.466 14.629 9.029 1.00 0.00 C ATOM 72 SD MET A 8 -1.293 15.322 7.584 1.00 0.00 S ATOM 73 CE MET A 8 -1.497 17.026 8.096 1.00 0.00 C ATOM 0 H MET A 8 -1.521 13.003 11.659 1.00 0.00 H new ATOM 0 HA MET A 8 -2.747 13.008 8.962 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.175 12.725 9.765 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.445 12.689 8.126 1.00 0.00 H new ATOM 0 HG2 MET A 8 -0.879 15.081 9.931 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.592 14.890 8.998 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.996 17.586 7.305 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.100 17.064 9.003 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.519 17.467 8.292 1.00 0.00 H new ATOM 83 N ALA A 9 -2.521 10.528 8.622 1.00 0.00 N ATOM 84 CA ALA A 9 -2.623 9.076 8.546 1.00 0.00 C ATOM 85 C ALA A 9 -2.470 8.589 7.109 1.00 0.00 C ATOM 86 O ALA A 9 -2.396 9.391 6.177 1.00 0.00 O ATOM 87 CB ALA A 9 -3.951 8.609 9.125 1.00 0.00 C ATOM 0 H ALA A 9 -2.863 11.019 7.796 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.812 8.648 9.135 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.014 7.523 9.062 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.021 8.916 10.168 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.771 9.053 8.560 1.00 0.00 H new ATOM 93 N ILE A 10 -2.423 7.273 6.937 1.00 0.00 N ATOM 94 CA ILE A 10 -2.280 6.680 5.613 1.00 0.00 C ATOM 95 C ILE A 10 -3.434 7.085 4.702 1.00 0.00 C ATOM 96 O ILE A 10 -4.590 7.121 5.125 1.00 0.00 O ATOM 97 CB ILE A 10 -2.213 5.144 5.688 1.00 0.00 C ATOM 98 CG1 ILE A 10 -1.063 4.704 6.596 1.00 0.00 C ATOM 99 CG2 ILE A 10 -2.052 4.552 4.295 1.00 0.00 C ATOM 100 CD1 ILE A 10 -1.248 3.322 7.180 1.00 0.00 C ATOM 0 H ILE A 10 -2.482 6.596 7.698 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.344 7.055 5.198 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.147 4.775 6.113 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.133 4.728 6.028 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.958 5.422 7.409 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.006 3.465 4.365 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.902 4.840 3.677 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.132 4.926 3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.395 3.077 7.813 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.160 3.298 7.776 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.322 2.593 6.373 1.00 0.00 H new ATOM 112 N LEU A 11 -3.113 7.386 3.448 1.00 0.00 N ATOM 113 CA LEU A 11 -4.123 7.786 2.475 1.00 0.00 C ATOM 114 C LEU A 11 -4.136 6.836 1.282 1.00 0.00 C ATOM 115 O LEU A 11 -5.196 6.392 0.840 1.00 0.00 O ATOM 116 CB LEU A 11 -3.863 9.216 1.999 1.00 0.00 C ATOM 117 CG LEU A 11 -4.021 10.313 3.053 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.468 11.632 2.537 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.482 10.465 3.450 1.00 0.00 C ATOM 0 H LEU A 11 -2.161 7.361 3.082 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.097 7.743 2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.850 9.266 1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.542 9.432 1.174 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.453 10.025 3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.589 12.401 3.300 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.410 11.516 2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.008 11.926 1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.575 11.250 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.072 10.730 2.573 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.847 9.524 3.862 1.00 0.00 H new ATOM 131 N PHE A 12 -2.951 6.526 0.766 1.00 0.00 N ATOM 132 CA PHE A 12 -2.826 5.627 -0.376 1.00 0.00 C ATOM 133 C PHE A 12 -2.248 4.281 0.053 1.00 0.00 C ATOM 134 O PHE A 12 -1.236 4.222 0.750 1.00 0.00 O ATOM 135 CB PHE A 12 -1.939 6.256 -1.452 1.00 0.00 C ATOM 136 CG PHE A 12 -2.069 5.597 -2.796 1.00 0.00 C ATOM 137 CD1 PHE A 12 -3.078 5.969 -3.670 1.00 0.00 C ATOM 138 CD2 PHE A 12 -1.181 4.607 -3.185 1.00 0.00 C ATOM 139 CE1 PHE A 12 -3.200 5.364 -4.906 1.00 0.00 C ATOM 140 CE2 PHE A 12 -1.298 3.999 -4.421 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.308 4.378 -5.283 1.00 0.00 C ATOM 0 H PHE A 12 -2.064 6.884 1.120 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.822 5.461 -0.787 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.191 7.312 -1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.899 6.205 -1.130 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.777 6.740 -3.382 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.389 4.307 -2.515 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.992 5.661 -5.577 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -0.600 3.228 -4.712 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.401 3.905 -6.249 1.00 0.00 H new ATOM 151 N ALA A 13 -2.899 3.203 -0.370 1.00 0.00 N ATOM 152 CA ALA A 13 -2.450 1.858 -0.032 1.00 0.00 C ATOM 153 C ALA A 13 -2.970 0.837 -1.038 1.00 0.00 C ATOM 154 O ALA A 13 -4.174 0.593 -1.125 1.00 0.00 O ATOM 155 CB ALA A 13 -2.897 1.490 1.375 1.00 0.00 C ATOM 0 H ALA A 13 -3.739 3.235 -0.947 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.361 1.845 -0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.555 0.483 1.614 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.472 2.196 2.088 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.985 1.527 1.432 1.00 0.00 H new ATOM 161 N VAL A 14 -2.055 0.242 -1.797 1.00 0.00 N ATOM 162 CA VAL A 14 -2.421 -0.753 -2.798 1.00 0.00 C ATOM 163 C VAL A 14 -1.411 -1.895 -2.832 1.00 0.00 C ATOM 164 O VAL A 14 -0.239 -1.712 -2.502 1.00 0.00 O ATOM 165 CB VAL A 14 -2.521 -0.128 -4.202 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.272 1.194 -4.146 1.00 0.00 C ATOM 167 CG2 VAL A 14 -1.135 0.062 -4.800 1.00 0.00 C ATOM 0 H VAL A 14 -1.055 0.432 -1.738 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.398 -1.144 -2.513 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.079 -0.809 -4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.333 1.621 -5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.278 1.025 -3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.744 1.885 -3.489 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.224 0.505 -5.792 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.550 0.722 -4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.637 -0.904 -4.877 1.00 0.00 H new ATOM 177 N VAL A 15 -1.873 -3.074 -3.235 1.00 0.00 N ATOM 178 CA VAL A 15 -1.010 -4.247 -3.315 1.00 0.00 C ATOM 179 C VAL A 15 -0.732 -4.627 -4.765 1.00 0.00 C ATOM 180 O VAL A 15 -1.648 -4.961 -5.515 1.00 0.00 O ATOM 181 CB VAL A 15 -1.634 -5.454 -2.589 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.887 -6.732 -2.939 1.00 0.00 C ATOM 183 CG2 VAL A 15 -1.641 -5.225 -1.085 1.00 0.00 C ATOM 0 H VAL A 15 -2.840 -3.243 -3.511 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.072 -3.984 -2.826 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.666 -5.563 -2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.342 -7.574 -2.417 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.939 -6.901 -4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.156 -6.638 -2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.085 -6.087 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.618 -5.090 -0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.225 -4.333 -0.855 1.00 0.00 H new ATOM 193 N ALA A 16 0.538 -4.574 -5.151 1.00 0.00 N ATOM 194 CA ALA A 16 0.937 -4.916 -6.511 1.00 0.00 C ATOM 195 C ALA A 16 2.209 -5.757 -6.515 1.00 0.00 C ATOM 196 O ALA A 16 3.153 -5.476 -5.776 1.00 0.00 O ATOM 197 CB ALA A 16 1.135 -3.653 -7.336 1.00 0.00 C ATOM 0 H ALA A 16 1.308 -4.298 -4.542 1.00 0.00 H new ATOM 0 HA ALA A 16 0.139 -5.509 -6.959 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.433 -3.923 -8.349 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.202 -3.090 -7.370 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.912 -3.039 -6.881 1.00 0.00 H new ATOM 203 N ARG A 17 2.228 -6.790 -7.351 1.00 0.00 N ATOM 204 CA ARG A 17 3.384 -7.673 -7.449 1.00 0.00 C ATOM 205 C ARG A 17 4.345 -7.191 -8.531 1.00 0.00 C ATOM 206 O ARG A 17 4.118 -7.410 -9.721 1.00 0.00 O ATOM 207 CB ARG A 17 2.935 -9.104 -7.750 1.00 0.00 C ATOM 208 CG ARG A 17 1.813 -9.188 -8.773 1.00 0.00 C ATOM 209 CD ARG A 17 1.651 -10.603 -9.306 1.00 0.00 C ATOM 210 NE ARG A 17 0.837 -10.641 -10.518 1.00 0.00 N ATOM 211 CZ ARG A 17 0.910 -11.611 -11.423 1.00 0.00 C ATOM 212 NH1 ARG A 17 1.755 -12.618 -11.252 1.00 0.00 N ATOM 213 NH2 ARG A 17 0.136 -11.575 -12.500 1.00 0.00 N ATOM 0 H ARG A 17 1.456 -7.036 -7.970 1.00 0.00 H new ATOM 0 HA ARG A 17 3.905 -7.657 -6.492 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.790 -9.675 -8.113 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.607 -9.575 -6.824 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.878 -8.860 -8.318 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.021 -8.508 -9.599 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.633 -11.026 -9.516 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.191 -11.228 -8.541 1.00 0.00 H new ATOM 0 HE ARG A 17 0.176 -9.881 -10.679 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.351 -12.649 -10.425 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.810 -13.362 -11.948 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.516 -10.802 -12.634 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.193 -12.320 -13.194 1.00 0.00 H new ATOM 227 N GLY A 18 5.421 -6.534 -8.110 1.00 0.00 N ATOM 228 CA GLY A 18 6.401 -6.031 -9.056 1.00 0.00 C ATOM 229 C GLY A 18 5.892 -4.837 -9.838 1.00 0.00 C ATOM 230 O GLY A 18 6.110 -3.689 -9.447 1.00 0.00 O ATOM 0 H GLY A 18 5.632 -6.341 -7.131 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.308 -5.751 -8.520 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.673 -6.826 -9.750 1.00 0.00 H new ATOM 234 N THR A 19 5.212 -5.104 -10.948 1.00 0.00 N ATOM 235 CA THR A 19 4.673 -4.043 -11.789 1.00 0.00 C ATOM 236 C THR A 19 3.180 -4.235 -12.027 1.00 0.00 C ATOM 237 O THR A 19 2.493 -3.327 -12.498 1.00 0.00 O ATOM 238 CB THR A 19 5.394 -3.983 -13.149 1.00 0.00 C ATOM 239 OG1 THR A 19 5.684 -5.308 -13.609 1.00 0.00 O ATOM 240 CG2 THR A 19 6.684 -3.184 -13.043 1.00 0.00 C ATOM 0 H THR A 19 5.021 -6.047 -11.286 1.00 0.00 H new ATOM 0 HA THR A 19 4.836 -3.105 -11.258 1.00 0.00 H new ATOM 0 HB THR A 19 4.736 -3.487 -13.862 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.141 -5.261 -14.475 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.175 -3.156 -14.016 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.457 -2.168 -12.721 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.345 -3.655 -12.316 1.00 0.00 H new ATOM 248 N THR A 20 2.680 -5.422 -11.697 1.00 0.00 N ATOM 249 CA THR A 20 1.267 -5.732 -11.875 1.00 0.00 C ATOM 250 C THR A 20 0.471 -5.410 -10.616 1.00 0.00 C ATOM 251 O THR A 20 0.874 -5.764 -9.508 1.00 0.00 O ATOM 252 CB THR A 20 1.059 -7.216 -12.235 1.00 0.00 C ATOM 253 OG1 THR A 20 1.732 -7.521 -13.462 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.421 -7.538 -12.368 1.00 0.00 C ATOM 0 H THR A 20 3.233 -6.184 -11.305 1.00 0.00 H new ATOM 0 HA THR A 20 0.908 -5.112 -12.697 1.00 0.00 H new ATOM 0 HB THR A 20 1.475 -7.824 -11.432 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.597 -8.466 -13.683 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.543 -8.591 -12.622 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.924 -7.332 -11.423 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.858 -6.922 -13.154 1.00 0.00 H new ATOM 262 N ILE A 21 -0.662 -4.738 -10.794 1.00 0.00 N ATOM 263 CA ILE A 21 -1.515 -4.370 -9.671 1.00 0.00 C ATOM 264 C ILE A 21 -2.707 -5.314 -9.555 1.00 0.00 C ATOM 265 O ILE A 21 -3.498 -5.451 -10.489 1.00 0.00 O ATOM 266 CB ILE A 21 -2.030 -2.925 -9.805 1.00 0.00 C ATOM 267 CG1 ILE A 21 -0.875 -1.977 -10.135 1.00 0.00 C ATOM 268 CG2 ILE A 21 -2.730 -2.491 -8.526 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.314 -0.708 -10.830 1.00 0.00 C ATOM 0 H ILE A 21 -1.010 -4.438 -11.705 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.904 -4.447 -8.772 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.751 -2.886 -10.621 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.356 -1.716 -9.213 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.157 -2.499 -10.768 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.088 -1.468 -8.637 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.575 -3.152 -8.331 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.029 -2.542 -7.692 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.443 -0.084 -11.033 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.807 -0.959 -11.769 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.009 -0.164 -10.190 1.00 0.00 H new ATOM 281 N LEU A 22 -2.832 -5.961 -8.401 1.00 0.00 N ATOM 282 CA LEU A 22 -3.929 -6.892 -8.161 1.00 0.00 C ATOM 283 C LEU A 22 -5.143 -6.166 -7.589 1.00 0.00 C ATOM 284 O LEU A 22 -6.196 -6.102 -8.223 1.00 0.00 O ATOM 285 CB LEU A 22 -3.485 -7.999 -7.203 1.00 0.00 C ATOM 286 CG LEU A 22 -2.409 -8.949 -7.729 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.578 -9.502 -6.582 1.00 0.00 C ATOM 288 CD2 LEU A 22 -3.040 -10.081 -8.527 1.00 0.00 C ATOM 0 H LEU A 22 -2.187 -5.858 -7.617 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.210 -7.337 -9.115 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.116 -7.534 -6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.360 -8.589 -6.930 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.749 -8.388 -8.391 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.817 -10.176 -6.976 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.096 -8.680 -6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.224 -10.047 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.259 -10.747 -8.894 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.723 -10.640 -7.888 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.590 -9.668 -9.372 1.00 0.00 H new ATOM 300 N ALA A 23 -4.987 -5.619 -6.388 1.00 0.00 N ATOM 301 CA ALA A 23 -6.068 -4.894 -5.733 1.00 0.00 C ATOM 302 C ALA A 23 -5.614 -3.504 -5.299 1.00 0.00 C ATOM 303 O ALA A 23 -4.680 -3.363 -4.510 1.00 0.00 O ATOM 304 CB ALA A 23 -6.582 -5.680 -4.536 1.00 0.00 C ATOM 0 H ALA A 23 -4.122 -5.664 -5.849 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.879 -4.775 -6.452 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.389 -5.126 -4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.955 -6.649 -4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.771 -5.829 -3.823 1.00 0.00 H new ATOM 310 N LYS A 24 -6.280 -2.479 -5.821 1.00 0.00 N ATOM 311 CA LYS A 24 -5.946 -1.100 -5.488 1.00 0.00 C ATOM 312 C LYS A 24 -7.120 -0.404 -4.807 1.00 0.00 C ATOM 313 O LYS A 24 -8.277 -0.616 -5.173 1.00 0.00 O ATOM 314 CB LYS A 24 -5.547 -0.331 -6.750 1.00 0.00 C ATOM 315 CG LYS A 24 -6.699 -0.102 -7.712 1.00 0.00 C ATOM 316 CD LYS A 24 -6.435 1.083 -8.626 1.00 0.00 C ATOM 317 CE LYS A 24 -5.722 0.657 -9.900 1.00 0.00 C ATOM 318 NZ LYS A 24 -6.682 0.256 -10.966 1.00 0.00 N ATOM 0 H LYS A 24 -7.055 -2.578 -6.477 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.104 -1.114 -4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.129 0.633 -6.461 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.758 -0.879 -7.265 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.856 -0.998 -8.313 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.616 0.069 -7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.379 1.565 -8.880 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.831 1.822 -8.100 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.101 1.477 -10.260 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.054 -0.176 -9.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.424 -0.683 -11.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.644 0.222 -10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.650 0.949 -11.741 1.00 0.00 H new ATOM 332 N HIS A 25 -6.815 0.427 -3.816 1.00 0.00 N ATOM 333 CA HIS A 25 -7.846 1.156 -3.085 1.00 0.00 C ATOM 334 C HIS A 25 -7.250 2.356 -2.356 1.00 0.00 C ATOM 335 O HIS A 25 -6.524 2.201 -1.375 1.00 0.00 O ATOM 336 CB HIS A 25 -8.542 0.231 -2.085 1.00 0.00 C ATOM 337 CG HIS A 25 -9.776 0.825 -1.479 1.00 0.00 C ATOM 338 ND1 HIS A 25 -10.855 1.245 -2.228 1.00 0.00 N ATOM 339 CD2 HIS A 25 -10.100 1.066 -0.187 1.00 0.00 C ATOM 340 CE1 HIS A 25 -11.788 1.720 -1.423 1.00 0.00 C ATOM 341 NE2 HIS A 25 -11.355 1.623 -0.179 1.00 0.00 N ATOM 0 H HIS A 25 -5.863 0.613 -3.500 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.580 1.519 -3.805 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -8.805 -0.700 -2.586 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -7.842 -0.023 -1.289 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -10.922 1.196 -3.245 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.486 0.859 0.677 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.743 2.120 -1.730 1.00 0.00 H new ATOM 350 N ALA A 26 -7.561 3.553 -2.844 1.00 0.00 N ATOM 351 CA ALA A 26 -7.058 4.779 -2.238 1.00 0.00 C ATOM 352 C ALA A 26 -8.164 5.819 -2.103 1.00 0.00 C ATOM 353 O ALA A 26 -9.229 5.688 -2.706 1.00 0.00 O ATOM 354 CB ALA A 26 -5.903 5.337 -3.058 1.00 0.00 C ATOM 0 H ALA A 26 -8.159 3.699 -3.657 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.697 4.539 -1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.537 6.253 -2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.098 4.603 -3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.247 5.555 -4.069 1.00 0.00 H new ATOM 360 N TRP A 27 -7.905 6.852 -1.309 1.00 0.00 N ATOM 361 CA TRP A 27 -8.881 7.914 -1.094 1.00 0.00 C ATOM 362 C TRP A 27 -8.970 8.826 -2.314 1.00 0.00 C ATOM 363 O TRP A 27 -7.982 9.032 -3.019 1.00 0.00 O ATOM 364 CB TRP A 27 -8.510 8.733 0.143 1.00 0.00 C ATOM 365 CG TRP A 27 -8.874 8.059 1.432 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.324 6.918 1.943 1.00 0.00 C ATOM 367 CD2 TRP A 27 -9.868 8.484 2.370 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.917 6.608 3.143 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.867 7.553 3.428 1.00 0.00 C ATOM 370 CE3 TRP A 27 -10.757 9.560 2.422 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.722 7.668 4.521 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.605 9.672 3.507 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.582 8.732 4.545 1.00 0.00 C ATOM 0 H TRP A 27 -7.028 6.977 -0.804 1.00 0.00 H new ATOM 0 HA TRP A 27 -9.855 7.452 -0.936 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.438 8.928 0.133 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -9.010 9.700 0.093 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.539 6.344 1.473 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.687 5.804 3.727 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -10.781 10.292 1.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.707 6.943 5.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.298 10.499 3.556 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.256 8.849 5.381 1.00 0.00 H new ATOM 384 N CYS A 28 -10.158 9.368 -2.556 1.00 0.00 N ATOM 385 CA CYS A 28 -10.375 10.258 -3.691 1.00 0.00 C ATOM 386 C CYS A 28 -9.776 11.635 -3.426 1.00 0.00 C ATOM 387 O CYS A 28 -10.019 12.238 -2.382 1.00 0.00 O ATOM 388 CB CYS A 28 -11.870 10.387 -3.985 1.00 0.00 C ATOM 389 SG CYS A 28 -12.518 9.114 -5.094 1.00 0.00 S ATOM 0 H CYS A 28 -10.986 9.207 -1.982 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.877 9.827 -4.559 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.419 10.347 -3.044 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.060 11.367 -4.424 1.00 0.00 H new ATOM 0 HG CYS A 28 -13.790 9.307 -5.280 1.00 0.00 H new ATOM 395 N GLY A 29 -8.988 12.125 -4.378 1.00 0.00 N ATOM 396 CA GLY A 29 -8.364 13.427 -4.227 1.00 0.00 C ATOM 397 C GLY A 29 -6.901 13.418 -4.624 1.00 0.00 C ATOM 398 O GLY A 29 -6.030 13.126 -3.806 1.00 0.00 O ATOM 0 H GLY A 29 -8.771 11.644 -5.251 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.898 14.156 -4.837 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.454 13.752 -3.190 1.00 0.00 H new ATOM 402 N GLY A 30 -6.630 13.737 -5.886 1.00 0.00 N ATOM 403 CA GLY A 30 -5.262 13.757 -6.369 1.00 0.00 C ATOM 404 C GLY A 30 -4.895 12.494 -7.123 1.00 0.00 C ATOM 405 O GLY A 30 -5.504 11.445 -6.923 1.00 0.00 O ATOM 0 H GLY A 30 -7.334 13.982 -6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.123 14.619 -7.021 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.584 13.883 -5.525 1.00 0.00 H new ATOM 409 N ASN A 31 -3.896 12.597 -7.994 1.00 0.00 N ATOM 410 CA ASN A 31 -3.450 11.454 -8.783 1.00 0.00 C ATOM 411 C ASN A 31 -2.221 10.804 -8.153 1.00 0.00 C ATOM 412 O ASN A 31 -1.103 11.300 -8.294 1.00 0.00 O ATOM 413 CB ASN A 31 -3.133 11.889 -10.215 1.00 0.00 C ATOM 414 CG ASN A 31 -2.325 13.171 -10.265 1.00 0.00 C ATOM 415 OD1 ASN A 31 -2.988 14.298 -10.035 1.00 0.00 O flip ATOM 416 ND2 ASN A 31 -1.118 13.148 -10.507 1.00 0.00 N flip ATOM 0 H ASN A 31 -3.381 13.459 -8.171 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.257 10.721 -8.803 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -2.581 11.095 -10.719 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.064 12.028 -10.764 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -0.649 12.258 -10.678 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.587 14.018 -10.537 1.00 0.00 H new ATOM 423 N PHE A 32 -2.437 9.692 -7.459 1.00 0.00 N ATOM 424 CA PHE A 32 -1.347 8.974 -6.808 1.00 0.00 C ATOM 425 C PHE A 32 -0.943 7.747 -7.619 1.00 0.00 C ATOM 426 O PHE A 32 0.241 7.424 -7.729 1.00 0.00 O ATOM 427 CB PHE A 32 -1.758 8.553 -5.395 1.00 0.00 C ATOM 428 CG PHE A 32 -1.491 9.603 -4.355 1.00 0.00 C ATOM 429 CD1 PHE A 32 -0.269 10.255 -4.307 1.00 0.00 C ATOM 430 CD2 PHE A 32 -2.462 9.940 -3.425 1.00 0.00 C ATOM 431 CE1 PHE A 32 -0.020 11.221 -3.351 1.00 0.00 C ATOM 432 CE2 PHE A 32 -2.219 10.905 -2.466 1.00 0.00 C ATOM 433 CZ PHE A 32 -0.997 11.547 -2.430 1.00 0.00 C ATOM 0 H PHE A 32 -3.356 9.268 -7.333 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.490 9.644 -6.745 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.821 8.311 -5.391 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.223 7.642 -5.126 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.498 10.005 -5.025 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.420 9.442 -3.450 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.937 11.721 -3.324 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.984 11.157 -1.746 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.805 12.303 -1.683 1.00 0.00 H new ATOM 443 N LEU A 33 -1.933 7.066 -8.184 1.00 0.00 N ATOM 444 CA LEU A 33 -1.682 5.873 -8.985 1.00 0.00 C ATOM 445 C LEU A 33 -0.551 6.113 -9.979 1.00 0.00 C ATOM 446 O LEU A 33 0.107 5.173 -10.424 1.00 0.00 O ATOM 447 CB LEU A 33 -2.952 5.459 -9.730 1.00 0.00 C ATOM 448 CG LEU A 33 -2.901 4.107 -10.444 1.00 0.00 C ATOM 449 CD1 LEU A 33 -2.916 2.970 -9.435 1.00 0.00 C ATOM 450 CD2 LEU A 33 -4.063 3.974 -11.418 1.00 0.00 C ATOM 0 H LEU A 33 -2.918 7.319 -8.102 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.385 5.069 -8.312 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.777 5.440 -9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.184 6.228 -10.467 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.971 4.051 -11.010 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.879 2.016 -9.961 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.051 3.055 -8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.829 3.022 -8.842 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.011 3.006 -11.917 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.004 4.051 -10.874 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.007 4.769 -12.162 1.00 0.00 H new ATOM 462 N GLU A 34 -0.330 7.378 -10.322 1.00 0.00 N ATOM 463 CA GLU A 34 0.724 7.741 -11.263 1.00 0.00 C ATOM 464 C GLU A 34 2.102 7.552 -10.636 1.00 0.00 C ATOM 465 O GLU A 34 2.903 6.742 -11.103 1.00 0.00 O ATOM 466 CB GLU A 34 0.553 9.192 -11.719 1.00 0.00 C ATOM 467 CG GLU A 34 1.170 9.479 -13.077 1.00 0.00 C ATOM 468 CD GLU A 34 0.504 10.642 -13.787 1.00 0.00 C ATOM 469 OE1 GLU A 34 -0.582 10.437 -14.368 1.00 0.00 O ATOM 470 OE2 GLU A 34 1.068 11.756 -13.760 1.00 0.00 O ATOM 0 H GLU A 34 -0.866 8.168 -9.963 1.00 0.00 H new ATOM 0 HA GLU A 34 0.645 7.084 -12.129 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.510 9.430 -11.755 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.003 9.853 -10.978 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.231 9.694 -12.951 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.097 8.588 -13.700 1.00 0.00 H new ATOM 477 N VAL A 35 2.372 8.306 -9.575 1.00 0.00 N ATOM 478 CA VAL A 35 3.652 8.222 -8.883 1.00 0.00 C ATOM 479 C VAL A 35 3.917 6.804 -8.387 1.00 0.00 C ATOM 480 O VAL A 35 5.060 6.348 -8.356 1.00 0.00 O ATOM 481 CB VAL A 35 3.709 9.191 -7.688 1.00 0.00 C ATOM 482 CG1 VAL A 35 3.014 8.587 -6.477 1.00 0.00 C ATOM 483 CG2 VAL A 35 5.151 9.550 -7.361 1.00 0.00 C ATOM 0 H VAL A 35 1.721 8.982 -9.176 1.00 0.00 H new ATOM 0 HA VAL A 35 4.420 8.501 -9.604 1.00 0.00 H new ATOM 0 HB VAL A 35 3.183 10.106 -7.960 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.064 9.286 -5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.970 8.386 -6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.508 7.656 -6.201 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.172 10.236 -6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.703 8.645 -7.109 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.612 10.027 -8.226 1.00 0.00 H new ATOM 493 N THR A 36 2.851 6.110 -7.999 1.00 0.00 N ATOM 494 CA THR A 36 2.967 4.745 -7.504 1.00 0.00 C ATOM 495 C THR A 36 3.475 3.806 -8.592 1.00 0.00 C ATOM 496 O THR A 36 4.483 3.124 -8.415 1.00 0.00 O ATOM 497 CB THR A 36 1.618 4.221 -6.978 1.00 0.00 C ATOM 498 OG1 THR A 36 1.342 4.782 -5.690 1.00 0.00 O ATOM 499 CG2 THR A 36 1.626 2.703 -6.884 1.00 0.00 C ATOM 0 H THR A 36 1.898 6.472 -8.018 1.00 0.00 H new ATOM 0 HA THR A 36 3.684 4.767 -6.684 1.00 0.00 H new ATOM 0 HB THR A 36 0.839 4.522 -7.679 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.406 4.613 -5.453 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.663 2.357 -6.510 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.806 2.278 -7.872 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.415 2.385 -6.203 1.00 0.00 H new ATOM 507 N GLU A 37 2.769 3.778 -9.719 1.00 0.00 N ATOM 508 CA GLU A 37 3.150 2.921 -10.836 1.00 0.00 C ATOM 509 C GLU A 37 4.606 3.154 -11.229 1.00 0.00 C ATOM 510 O GLU A 37 5.353 2.206 -11.468 1.00 0.00 O ATOM 511 CB GLU A 37 2.239 3.179 -12.038 1.00 0.00 C ATOM 512 CG GLU A 37 0.868 2.535 -11.913 1.00 0.00 C ATOM 513 CD GLU A 37 0.831 1.129 -12.480 1.00 0.00 C ATOM 514 OE1 GLU A 37 1.596 0.272 -11.990 1.00 0.00 O ATOM 515 OE2 GLU A 37 0.038 0.886 -13.413 1.00 0.00 O ATOM 0 H GLU A 37 1.932 4.338 -9.882 1.00 0.00 H new ATOM 0 HA GLU A 37 3.039 1.884 -10.520 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.116 4.254 -12.165 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.726 2.805 -12.939 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.578 2.507 -10.863 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.133 3.151 -12.430 1.00 0.00 H new ATOM 522 N GLN A 38 5.000 4.422 -11.293 1.00 0.00 N ATOM 523 CA GLN A 38 6.366 4.779 -11.657 1.00 0.00 C ATOM 524 C GLN A 38 7.369 4.142 -10.701 1.00 0.00 C ATOM 525 O GLN A 38 8.376 3.577 -11.128 1.00 0.00 O ATOM 526 CB GLN A 38 6.536 6.299 -11.656 1.00 0.00 C ATOM 527 CG GLN A 38 5.747 7.001 -12.749 1.00 0.00 C ATOM 528 CD GLN A 38 6.393 8.298 -13.195 1.00 0.00 C ATOM 529 OE1 GLN A 38 7.617 8.395 -13.288 1.00 0.00 O ATOM 530 NE2 GLN A 38 5.572 9.303 -13.473 1.00 0.00 N ATOM 0 H GLN A 38 4.393 5.218 -11.098 1.00 0.00 H new ATOM 0 HA GLN A 38 6.558 4.400 -12.661 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.225 6.690 -10.687 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.593 6.538 -11.772 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.649 6.335 -13.606 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.739 7.207 -12.389 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.564 9.178 -13.382 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.949 10.200 -13.778 1.00 0.00 H new ATOM 539 N ILE A 39 7.087 4.238 -9.406 1.00 0.00 N ATOM 540 CA ILE A 39 7.964 3.671 -8.390 1.00 0.00 C ATOM 541 C ILE A 39 7.992 2.148 -8.475 1.00 0.00 C ATOM 542 O ILE A 39 9.049 1.528 -8.351 1.00 0.00 O ATOM 543 CB ILE A 39 7.527 4.086 -6.973 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.695 5.596 -6.786 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.328 3.325 -5.927 1.00 0.00 C ATOM 546 CD1 ILE A 39 9.138 6.034 -6.676 1.00 0.00 C ATOM 0 H ILE A 39 6.258 4.703 -9.036 1.00 0.00 H new ATOM 0 HA ILE A 39 8.963 4.062 -8.583 1.00 0.00 H new ATOM 0 HB ILE A 39 6.473 3.838 -6.846 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.230 6.112 -7.626 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.161 5.904 -5.887 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.007 3.630 -4.931 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.163 2.255 -6.050 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.388 3.545 -6.050 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.181 7.115 -6.545 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.602 5.546 -5.819 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.673 5.757 -7.585 1.00 0.00 H new ATOM 558 N LEU A 40 6.824 1.552 -8.689 1.00 0.00 N ATOM 559 CA LEU A 40 6.714 0.101 -8.793 1.00 0.00 C ATOM 560 C LEU A 40 7.708 -0.449 -9.810 1.00 0.00 C ATOM 561 O LEU A 40 8.474 -1.365 -9.512 1.00 0.00 O ATOM 562 CB LEU A 40 5.290 -0.294 -9.190 1.00 0.00 C ATOM 563 CG LEU A 40 4.242 -0.230 -8.079 1.00 0.00 C ATOM 564 CD1 LEU A 40 2.860 -0.548 -8.629 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.601 -1.185 -6.950 1.00 0.00 C ATOM 0 H LEU A 40 5.940 2.051 -8.794 1.00 0.00 H new ATOM 0 HA LEU A 40 6.946 -0.327 -7.818 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.968 0.355 -10.004 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.312 -1.310 -9.583 1.00 0.00 H new ATOM 0 HG LEU A 40 4.227 0.784 -7.679 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.127 -0.498 -7.824 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.600 0.176 -9.402 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.860 -1.551 -9.057 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.844 -1.125 -6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.646 -2.204 -7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.571 -0.911 -6.536 1.00 0.00 H new ATOM 577 N ALA A 41 7.692 0.117 -11.013 1.00 0.00 N ATOM 578 CA ALA A 41 8.595 -0.313 -12.072 1.00 0.00 C ATOM 579 C ALA A 41 10.048 -0.251 -11.614 1.00 0.00 C ATOM 580 O ALA A 41 10.936 -0.819 -12.251 1.00 0.00 O ATOM 581 CB ALA A 41 8.395 0.540 -13.316 1.00 0.00 C ATOM 0 H ALA A 41 7.063 0.875 -11.278 1.00 0.00 H new ATOM 0 HA ALA A 41 8.362 -1.350 -12.315 1.00 0.00 H new ATOM 0 HB1 ALA A 41 9.077 0.207 -14.099 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.367 0.441 -13.664 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.598 1.584 -13.078 1.00 0.00 H new ATOM 587 N LYS A 42 10.285 0.442 -10.506 1.00 0.00 N ATOM 588 CA LYS A 42 11.631 0.579 -9.961 1.00 0.00 C ATOM 589 C LYS A 42 11.836 -0.360 -8.777 1.00 0.00 C ATOM 590 O LYS A 42 12.943 -0.845 -8.542 1.00 0.00 O ATOM 591 CB LYS A 42 11.884 2.025 -9.529 1.00 0.00 C ATOM 592 CG LYS A 42 12.071 2.984 -10.692 1.00 0.00 C ATOM 593 CD LYS A 42 11.860 4.426 -10.265 1.00 0.00 C ATOM 594 CE LYS A 42 11.334 5.276 -11.412 1.00 0.00 C ATOM 595 NZ LYS A 42 11.720 6.707 -11.265 1.00 0.00 N ATOM 0 H LYS A 42 9.562 0.918 -9.967 1.00 0.00 H new ATOM 0 HA LYS A 42 12.342 0.311 -10.743 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.047 2.365 -8.920 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.771 2.056 -8.897 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.074 2.868 -11.102 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.370 2.733 -11.488 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.157 4.461 -9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 42 12.801 4.841 -9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.720 4.891 -12.356 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.248 5.196 -11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.343 7.252 -12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.331 7.082 -10.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.757 6.787 -11.249 1.00 0.00 H new ATOM 609 N ILE A 43 10.763 -0.613 -8.035 1.00 0.00 N ATOM 610 CA ILE A 43 10.826 -1.496 -6.878 1.00 0.00 C ATOM 611 C ILE A 43 11.139 -2.929 -7.295 1.00 0.00 C ATOM 612 O ILE A 43 10.496 -3.501 -8.175 1.00 0.00 O ATOM 613 CB ILE A 43 9.505 -1.482 -6.086 1.00 0.00 C ATOM 614 CG1 ILE A 43 9.251 -0.091 -5.501 1.00 0.00 C ATOM 615 CG2 ILE A 43 9.537 -2.529 -4.983 1.00 0.00 C ATOM 616 CD1 ILE A 43 7.874 0.067 -4.894 1.00 0.00 C ATOM 0 H ILE A 43 9.840 -0.219 -8.215 1.00 0.00 H new ATOM 0 HA ILE A 43 11.627 -1.122 -6.240 1.00 0.00 H new ATOM 0 HB ILE A 43 8.688 -1.725 -6.766 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.001 0.116 -4.738 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.381 0.654 -6.286 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.596 -2.506 -4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.677 -3.517 -5.423 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.361 -2.315 -4.302 1.00 0.00 H new ATOM 0 HD11 ILE A 43 7.764 1.077 -4.499 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.117 -0.108 -5.659 1.00 0.00 H new ATOM 0 HD13 ILE A 43 7.747 -0.654 -4.086 1.00 0.00 H new ATOM 628 N PRO A 44 12.152 -3.526 -6.648 1.00 0.00 N ATOM 629 CA PRO A 44 12.573 -4.901 -6.934 1.00 0.00 C ATOM 630 C PRO A 44 11.544 -5.929 -6.476 1.00 0.00 C ATOM 631 O PRO A 44 10.462 -5.573 -6.010 1.00 0.00 O ATOM 632 CB PRO A 44 13.869 -5.048 -6.134 1.00 0.00 C ATOM 633 CG PRO A 44 13.746 -4.059 -5.027 1.00 0.00 C ATOM 634 CD PRO A 44 12.963 -2.904 -5.588 1.00 0.00 C ATOM 0 HA PRO A 44 12.694 -5.077 -8.003 1.00 0.00 H new ATOM 0 HB2 PRO A 44 13.983 -6.061 -5.749 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.742 -4.842 -6.753 1.00 0.00 H new ATOM 0 HG2 PRO A 44 13.236 -4.496 -4.168 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.728 -3.734 -4.683 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.339 -2.434 -4.828 1.00 0.00 H new ATOM 0 HD3 PRO A 44 13.619 -2.129 -5.986 1.00 0.00 H new ATOM 642 N SER A 45 11.890 -7.205 -6.610 1.00 0.00 N ATOM 643 CA SER A 45 10.995 -8.286 -6.212 1.00 0.00 C ATOM 644 C SER A 45 11.707 -9.269 -5.288 1.00 0.00 C ATOM 645 O SER A 45 11.313 -10.430 -5.179 1.00 0.00 O ATOM 646 CB SER A 45 10.466 -9.019 -7.446 1.00 0.00 C ATOM 647 OG SER A 45 11.507 -9.715 -8.110 1.00 0.00 O ATOM 0 H SER A 45 12.784 -7.516 -6.991 1.00 0.00 H new ATOM 0 HA SER A 45 10.156 -7.849 -5.671 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.686 -9.721 -7.150 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.008 -8.304 -8.130 1.00 0.00 H new ATOM 0 HG SER A 45 11.143 -10.177 -8.894 1.00 0.00 H new ATOM 653 N GLU A 46 12.758 -8.795 -4.627 1.00 0.00 N ATOM 654 CA GLU A 46 13.526 -9.632 -3.713 1.00 0.00 C ATOM 655 C GLU A 46 13.131 -9.361 -2.264 1.00 0.00 C ATOM 656 O GLU A 46 12.694 -8.263 -1.924 1.00 0.00 O ATOM 657 CB GLU A 46 15.025 -9.387 -3.899 1.00 0.00 C ATOM 658 CG GLU A 46 15.649 -10.234 -4.994 1.00 0.00 C ATOM 659 CD GLU A 46 15.705 -11.706 -4.633 1.00 0.00 C ATOM 660 OE1 GLU A 46 16.017 -12.020 -3.466 1.00 0.00 O ATOM 661 OE2 GLU A 46 15.434 -12.544 -5.519 1.00 0.00 O ATOM 0 H GLU A 46 13.097 -7.836 -4.707 1.00 0.00 H new ATOM 0 HA GLU A 46 13.304 -10.674 -3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.187 -8.334 -4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.537 -9.590 -2.958 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.077 -10.111 -5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.658 -9.875 -5.196 1.00 0.00 H new ATOM 668 N ASN A 47 13.287 -10.372 -1.415 1.00 0.00 N ATOM 669 CA ASN A 47 12.946 -10.244 -0.003 1.00 0.00 C ATOM 670 C ASN A 47 13.747 -9.122 0.650 1.00 0.00 C ATOM 671 O ASN A 47 14.844 -9.345 1.160 1.00 0.00 O ATOM 672 CB ASN A 47 13.206 -11.564 0.727 1.00 0.00 C ATOM 673 CG ASN A 47 12.824 -11.498 2.193 1.00 0.00 C ATOM 674 OD1 ASN A 47 13.662 -11.225 3.053 1.00 0.00 O ATOM 675 ND2 ASN A 47 11.553 -11.748 2.485 1.00 0.00 N ATOM 0 H ASN A 47 13.647 -11.289 -1.680 1.00 0.00 H new ATOM 0 HA ASN A 47 11.886 -9.999 0.069 1.00 0.00 H new ATOM 0 HB2 ASN A 47 12.642 -12.361 0.243 1.00 0.00 H new ATOM 0 HB3 ASN A 47 14.261 -11.822 0.640 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.237 -11.718 3.454 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.893 -11.970 1.740 1.00 0.00 H new ATOM 682 N ASN A 48 13.188 -7.916 0.632 1.00 0.00 N ATOM 683 CA ASN A 48 13.850 -6.759 1.223 1.00 0.00 C ATOM 684 C ASN A 48 12.930 -5.542 1.212 1.00 0.00 C ATOM 685 O ASN A 48 11.910 -5.527 0.523 1.00 0.00 O ATOM 686 CB ASN A 48 15.142 -6.442 0.467 1.00 0.00 C ATOM 687 CG ASN A 48 14.892 -5.632 -0.791 1.00 0.00 C ATOM 688 OD1 ASN A 48 14.582 -6.185 -1.846 1.00 0.00 O ATOM 689 ND2 ASN A 48 15.027 -4.316 -0.683 1.00 0.00 N ATOM 0 H ASN A 48 12.279 -7.715 0.215 1.00 0.00 H new ATOM 0 HA ASN A 48 14.093 -7.000 2.258 1.00 0.00 H new ATOM 0 HB2 ASN A 48 15.817 -5.892 1.122 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.643 -7.373 0.203 1.00 0.00 H new ATOM 0 HD21 ASN A 48 14.872 -3.719 -1.495 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.286 -3.902 0.212 1.00 0.00 H new ATOM 696 N LYS A 49 13.298 -4.522 1.980 1.00 0.00 N ATOM 697 CA LYS A 49 12.508 -3.298 2.059 1.00 0.00 C ATOM 698 C LYS A 49 13.411 -2.074 2.166 1.00 0.00 C ATOM 699 O LYS A 49 14.548 -2.167 2.632 1.00 0.00 O ATOM 700 CB LYS A 49 11.562 -3.354 3.260 1.00 0.00 C ATOM 701 CG LYS A 49 12.273 -3.564 4.585 1.00 0.00 C ATOM 702 CD LYS A 49 11.314 -4.045 5.662 1.00 0.00 C ATOM 703 CE LYS A 49 12.021 -4.918 6.688 1.00 0.00 C ATOM 704 NZ LYS A 49 12.315 -6.276 6.151 1.00 0.00 N ATOM 0 H LYS A 49 14.139 -4.518 2.557 1.00 0.00 H new ATOM 0 HA LYS A 49 11.920 -3.215 1.145 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.992 -2.426 3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.845 -4.161 3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 49 13.074 -4.292 4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 49 12.738 -2.630 4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.865 -3.186 6.161 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.501 -4.607 5.202 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.951 -4.439 6.994 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.400 -5.006 7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.591 -6.906 6.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.467 -6.655 5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.093 -6.216 5.463 1.00 0.00 H new ATOM 718 N LEU A 50 12.899 -0.927 1.734 1.00 0.00 N ATOM 719 CA LEU A 50 13.659 0.317 1.784 1.00 0.00 C ATOM 720 C LEU A 50 12.727 1.520 1.892 1.00 0.00 C ATOM 721 O LEU A 50 11.649 1.541 1.296 1.00 0.00 O ATOM 722 CB LEU A 50 14.540 0.450 0.540 1.00 0.00 C ATOM 723 CG LEU A 50 15.120 1.839 0.273 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.389 1.737 -0.558 1.00 0.00 C ATOM 725 CD2 LEU A 50 14.094 2.721 -0.422 1.00 0.00 C ATOM 0 H LEU A 50 11.961 -0.833 1.345 1.00 0.00 H new ATOM 0 HA LEU A 50 14.294 0.291 2.670 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.366 -0.256 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 50 13.955 0.150 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 50 15.373 2.296 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.787 2.736 -0.738 1.00 0.00 H new ATOM 0 HD12 LEU A 50 17.128 1.143 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.162 1.260 -1.511 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.524 3.706 -0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.809 2.268 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.212 2.822 0.211 1.00 0.00 H new ATOM 737 N THR A 51 13.151 2.524 2.654 1.00 0.00 N ATOM 738 CA THR A 51 12.356 3.731 2.839 1.00 0.00 C ATOM 739 C THR A 51 12.595 4.726 1.709 1.00 0.00 C ATOM 740 O THR A 51 13.684 5.286 1.582 1.00 0.00 O ATOM 741 CB THR A 51 12.674 4.413 4.183 1.00 0.00 C ATOM 742 OG1 THR A 51 12.537 3.472 5.254 1.00 0.00 O ATOM 743 CG2 THR A 51 11.750 5.598 4.421 1.00 0.00 C ATOM 0 H THR A 51 14.041 2.524 3.153 1.00 0.00 H new ATOM 0 HA THR A 51 11.310 3.424 2.834 1.00 0.00 H new ATOM 0 HB THR A 51 13.701 4.775 4.147 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.742 3.913 6.105 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.994 6.063 5.376 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.878 6.326 3.620 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.715 5.255 4.438 1.00 0.00 H new ATOM 751 N TYR A 52 11.571 4.941 0.890 1.00 0.00 N ATOM 752 CA TYR A 52 11.671 5.868 -0.231 1.00 0.00 C ATOM 753 C TYR A 52 10.980 7.189 0.091 1.00 0.00 C ATOM 754 O TYR A 52 9.786 7.222 0.388 1.00 0.00 O ATOM 755 CB TYR A 52 11.054 5.250 -1.487 1.00 0.00 C ATOM 756 CG TYR A 52 11.695 5.723 -2.772 1.00 0.00 C ATOM 757 CD1 TYR A 52 11.816 7.079 -3.052 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.178 4.816 -3.706 1.00 0.00 C ATOM 759 CE1 TYR A 52 12.399 7.516 -4.226 1.00 0.00 C ATOM 760 CE2 TYR A 52 12.765 5.244 -4.881 1.00 0.00 C ATOM 761 CZ TYR A 52 12.873 6.595 -5.137 1.00 0.00 C ATOM 762 OH TYR A 52 13.455 7.026 -6.307 1.00 0.00 O ATOM 0 H TYR A 52 10.663 4.486 0.982 1.00 0.00 H new ATOM 0 HA TYR A 52 12.727 6.066 -0.412 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.138 4.165 -1.427 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.990 5.486 -1.513 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.448 7.803 -2.340 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.093 3.757 -3.510 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.483 8.573 -4.429 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.137 4.525 -5.595 1.00 0.00 H new ATOM 0 HH TYR A 52 13.736 6.251 -6.837 1.00 0.00 H new ATOM 772 N SER A 53 11.740 8.278 0.028 1.00 0.00 N ATOM 773 CA SER A 53 11.203 9.603 0.316 1.00 0.00 C ATOM 774 C SER A 53 10.904 10.359 -0.974 1.00 0.00 C ATOM 775 O SER A 53 11.809 10.883 -1.625 1.00 0.00 O ATOM 776 CB SER A 53 12.189 10.401 1.172 1.00 0.00 C ATOM 777 OG SER A 53 13.405 10.619 0.479 1.00 0.00 O ATOM 0 H SER A 53 12.729 8.269 -0.220 1.00 0.00 H new ATOM 0 HA SER A 53 10.272 9.479 0.868 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.746 11.359 1.445 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.387 9.865 2.100 1.00 0.00 H new ATOM 0 HG SER A 53 13.212 10.901 -0.439 1.00 0.00 H new ATOM 783 N HIS A 54 9.627 10.413 -1.339 1.00 0.00 N ATOM 784 CA HIS A 54 9.207 11.106 -2.552 1.00 0.00 C ATOM 785 C HIS A 54 8.413 12.363 -2.212 1.00 0.00 C ATOM 786 O HIS A 54 7.431 12.309 -1.473 1.00 0.00 O ATOM 787 CB HIS A 54 8.364 10.178 -3.429 1.00 0.00 C ATOM 788 CG HIS A 54 8.339 10.578 -4.872 1.00 0.00 C ATOM 789 ND1 HIS A 54 7.707 11.715 -5.327 1.00 0.00 N ATOM 790 CD2 HIS A 54 8.875 9.984 -5.964 1.00 0.00 C ATOM 791 CE1 HIS A 54 7.854 11.803 -6.637 1.00 0.00 C ATOM 792 NE2 HIS A 54 8.560 10.765 -7.048 1.00 0.00 N ATOM 0 H HIS A 54 8.865 9.985 -0.812 1.00 0.00 H new ATOM 0 HA HIS A 54 10.101 11.400 -3.101 1.00 0.00 H new ATOM 0 HB2 HIS A 54 8.753 9.163 -3.348 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.343 10.159 -3.048 1.00 0.00 H new ATOM 0 HD2 HIS A 54 9.444 9.066 -5.979 1.00 0.00 H new ATOM 0 HE1 HIS A 54 7.463 12.590 -7.265 1.00 0.00 H new ATOM 0 HE2 HIS A 54 8.828 10.575 -8.014 1.00 0.00 H new ATOM 801 N GLY A 55 8.847 13.497 -2.755 1.00 0.00 N ATOM 802 CA GLY A 55 8.167 14.752 -2.496 1.00 0.00 C ATOM 803 C GLY A 55 7.821 14.933 -1.032 1.00 0.00 C ATOM 804 O GLY A 55 8.520 14.428 -0.155 1.00 0.00 O ATOM 0 H GLY A 55 9.658 13.568 -3.370 1.00 0.00 H new ATOM 0 HA2 GLY A 55 8.799 15.578 -2.821 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.254 14.796 -3.090 1.00 0.00 H new ATOM 808 N ASN A 56 6.738 15.657 -0.766 1.00 0.00 N ATOM 809 CA ASN A 56 6.302 15.905 0.603 1.00 0.00 C ATOM 810 C ASN A 56 5.491 14.729 1.138 1.00 0.00 C ATOM 811 O ASN A 56 4.480 14.915 1.815 1.00 0.00 O ATOM 812 CB ASN A 56 5.469 17.187 0.671 1.00 0.00 C ATOM 813 CG ASN A 56 6.326 18.425 0.851 1.00 0.00 C ATOM 814 OD1 ASN A 56 6.330 19.319 0.004 1.00 0.00 O ATOM 815 ND2 ASN A 56 7.057 18.482 1.958 1.00 0.00 N ATOM 0 H ASN A 56 6.147 16.082 -1.480 1.00 0.00 H new ATOM 0 HA ASN A 56 7.190 16.023 1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.882 17.284 -0.242 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.762 17.114 1.498 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.654 19.290 2.134 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.022 17.717 2.632 1.00 0.00 H new ATOM 822 N TYR A 57 5.942 13.518 0.829 1.00 0.00 N ATOM 823 CA TYR A 57 5.257 12.311 1.277 1.00 0.00 C ATOM 824 C TYR A 57 6.229 11.139 1.376 1.00 0.00 C ATOM 825 O TYR A 57 7.206 11.062 0.631 1.00 0.00 O ATOM 826 CB TYR A 57 4.116 11.962 0.319 1.00 0.00 C ATOM 827 CG TYR A 57 2.971 12.948 0.358 1.00 0.00 C ATOM 828 CD1 TYR A 57 3.022 14.131 -0.370 1.00 0.00 C ATOM 829 CD2 TYR A 57 1.838 12.697 1.122 1.00 0.00 C ATOM 830 CE1 TYR A 57 1.978 15.035 -0.337 1.00 0.00 C ATOM 831 CE2 TYR A 57 0.789 13.595 1.160 1.00 0.00 C ATOM 832 CZ TYR A 57 0.863 14.762 0.429 1.00 0.00 C ATOM 833 OH TYR A 57 -0.179 15.660 0.464 1.00 0.00 O ATOM 0 H TYR A 57 6.778 13.346 0.271 1.00 0.00 H new ATOM 0 HA TYR A 57 4.845 12.503 2.268 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.508 11.913 -0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.738 10.969 0.563 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.893 14.347 -0.972 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.776 11.784 1.696 1.00 0.00 H new ATOM 0 HE1 TYR A 57 2.034 15.950 -0.907 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -0.085 13.384 1.759 1.00 0.00 H new ATOM 0 HH TYR A 57 -0.887 15.317 1.049 1.00 0.00 H new ATOM 843 N LEU A 58 5.953 10.227 2.302 1.00 0.00 N ATOM 844 CA LEU A 58 6.801 9.057 2.501 1.00 0.00 C ATOM 845 C LEU A 58 6.291 7.871 1.689 1.00 0.00 C ATOM 846 O LEU A 58 5.084 7.655 1.576 1.00 0.00 O ATOM 847 CB LEU A 58 6.856 8.689 3.984 1.00 0.00 C ATOM 848 CG LEU A 58 7.418 9.758 4.922 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.113 9.412 6.371 1.00 0.00 C ATOM 850 CD2 LEU A 58 8.917 9.916 4.713 1.00 0.00 C ATOM 0 H LEU A 58 5.148 10.275 2.927 1.00 0.00 H new ATOM 0 HA LEU A 58 7.805 9.304 2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.847 8.440 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.459 7.787 4.092 1.00 0.00 H new ATOM 0 HG LEU A 58 6.937 10.708 4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.521 10.184 7.023 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.034 9.351 6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.565 8.452 6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.300 10.681 5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.415 8.968 4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.111 10.212 3.682 1.00 0.00 H new ATOM 862 N PHE A 59 7.218 7.103 1.127 1.00 0.00 N ATOM 863 CA PHE A 59 6.863 5.937 0.326 1.00 0.00 C ATOM 864 C PHE A 59 7.469 4.667 0.916 1.00 0.00 C ATOM 865 O PHE A 59 8.612 4.316 0.620 1.00 0.00 O ATOM 866 CB PHE A 59 7.337 6.119 -1.117 1.00 0.00 C ATOM 867 CG PHE A 59 6.392 6.927 -1.960 1.00 0.00 C ATOM 868 CD1 PHE A 59 6.235 8.286 -1.740 1.00 0.00 C ATOM 869 CD2 PHE A 59 5.662 6.328 -2.974 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.366 9.031 -2.514 1.00 0.00 C ATOM 871 CE2 PHE A 59 4.791 7.068 -3.752 1.00 0.00 C ATOM 872 CZ PHE A 59 4.644 8.422 -3.522 1.00 0.00 C ATOM 0 H PHE A 59 8.221 7.267 1.211 1.00 0.00 H new ATOM 0 HA PHE A 59 5.777 5.839 0.334 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.313 6.604 -1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.471 5.138 -1.574 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.798 8.768 -0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.775 5.270 -3.159 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.251 10.089 -2.331 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.227 6.588 -4.538 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.966 9.003 -4.129 1.00 0.00 H new ATOM 882 N HIS A 60 6.696 3.982 1.753 1.00 0.00 N ATOM 883 CA HIS A 60 7.156 2.751 2.385 1.00 0.00 C ATOM 884 C HIS A 60 6.633 1.528 1.637 1.00 0.00 C ATOM 885 O HIS A 60 5.426 1.293 1.579 1.00 0.00 O ATOM 886 CB HIS A 60 6.704 2.702 3.844 1.00 0.00 C ATOM 887 CG HIS A 60 6.757 4.031 4.533 1.00 0.00 C ATOM 888 ND1 HIS A 60 7.744 4.374 5.432 1.00 0.00 N ATOM 889 CD2 HIS A 60 5.938 5.106 4.447 1.00 0.00 C ATOM 890 CE1 HIS A 60 7.529 5.601 5.872 1.00 0.00 C ATOM 891 NE2 HIS A 60 6.439 6.068 5.289 1.00 0.00 N ATOM 0 H HIS A 60 5.748 4.259 2.009 1.00 0.00 H new ATOM 0 HA HIS A 60 8.245 2.739 2.349 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.684 2.320 3.887 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.332 1.995 4.387 1.00 0.00 H new ATOM 0 HD1 HIS A 60 8.519 3.774 5.714 1.00 0.00 H new ATOM 0 HD2 HIS A 60 5.055 5.191 3.831 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.140 6.132 6.587 1.00 0.00 H new ATOM 900 N TYR A 61 7.549 0.754 1.066 1.00 0.00 N ATOM 901 CA TYR A 61 7.180 -0.443 0.319 1.00 0.00 C ATOM 902 C TYR A 61 7.789 -1.690 0.952 1.00 0.00 C ATOM 903 O TYR A 61 8.904 -1.654 1.473 1.00 0.00 O ATOM 904 CB TYR A 61 7.636 -0.322 -1.136 1.00 0.00 C ATOM 905 CG TYR A 61 9.050 -0.806 -1.370 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.346 -2.163 -1.387 1.00 0.00 C ATOM 907 CD2 TYR A 61 10.088 0.094 -1.575 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.636 -2.610 -1.600 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.381 -0.344 -1.789 1.00 0.00 C ATOM 910 CZ TYR A 61 11.650 -1.696 -1.800 1.00 0.00 C ATOM 911 OH TYR A 61 12.936 -2.137 -2.014 1.00 0.00 O ATOM 0 H TYR A 61 8.552 0.934 1.106 1.00 0.00 H new ATOM 0 HA TYR A 61 6.094 -0.537 0.346 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.956 -0.892 -1.770 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.562 0.720 -1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.554 -2.881 -1.231 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.881 1.154 -1.567 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.849 -3.669 -1.610 1.00 0.00 H new ATOM 0 HE2 TYR A 61 12.177 0.369 -1.947 1.00 0.00 H new ATOM 0 HH TYR A 61 13.530 -1.367 -2.138 1.00 0.00 H new ATOM 921 N ILE A 62 7.048 -2.792 0.903 1.00 0.00 N ATOM 922 CA ILE A 62 7.515 -4.051 1.471 1.00 0.00 C ATOM 923 C ILE A 62 7.412 -5.183 0.454 1.00 0.00 C ATOM 924 O ILE A 62 6.449 -5.261 -0.309 1.00 0.00 O ATOM 925 CB ILE A 62 6.713 -4.433 2.729 1.00 0.00 C ATOM 926 CG1 ILE A 62 6.787 -3.311 3.767 1.00 0.00 C ATOM 927 CG2 ILE A 62 7.234 -5.737 3.314 1.00 0.00 C ATOM 928 CD1 ILE A 62 5.662 -3.347 4.777 1.00 0.00 C ATOM 0 H ILE A 62 6.123 -2.839 0.476 1.00 0.00 H new ATOM 0 HA ILE A 62 8.560 -3.905 1.746 1.00 0.00 H new ATOM 0 HB ILE A 62 5.670 -4.575 2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.739 -3.376 4.293 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.772 -2.350 3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.657 -5.993 4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.135 -6.532 2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.284 -5.621 3.584 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.779 -2.523 5.481 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.707 -3.251 4.261 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.689 -4.293 5.318 1.00 0.00 H new ATOM 940 N CYS A 63 8.411 -6.059 0.450 1.00 0.00 N ATOM 941 CA CYS A 63 8.434 -7.189 -0.472 1.00 0.00 C ATOM 942 C CYS A 63 8.139 -8.494 0.259 1.00 0.00 C ATOM 943 O CYS A 63 8.672 -8.744 1.341 1.00 0.00 O ATOM 944 CB CYS A 63 9.792 -7.276 -1.171 1.00 0.00 C ATOM 945 SG CYS A 63 9.877 -8.539 -2.462 1.00 0.00 S ATOM 0 H CYS A 63 9.216 -6.008 1.075 1.00 0.00 H new ATOM 0 HA CYS A 63 7.658 -7.031 -1.221 1.00 0.00 H new ATOM 0 HB2 CYS A 63 10.025 -6.306 -1.610 1.00 0.00 H new ATOM 0 HB3 CYS A 63 10.560 -7.481 -0.425 1.00 0.00 H new ATOM 0 HG CYS A 63 10.273 -9.663 -1.944 1.00 0.00 H new ATOM 951 N GLN A 64 7.287 -9.321 -0.337 1.00 0.00 N ATOM 952 CA GLN A 64 6.920 -10.600 0.260 1.00 0.00 C ATOM 953 C GLN A 64 6.122 -11.450 -0.723 1.00 0.00 C ATOM 954 O GLN A 64 5.136 -10.990 -1.298 1.00 0.00 O ATOM 955 CB GLN A 64 6.108 -10.376 1.537 1.00 0.00 C ATOM 956 CG GLN A 64 5.681 -11.666 2.219 1.00 0.00 C ATOM 957 CD GLN A 64 6.832 -12.369 2.911 1.00 0.00 C ATOM 958 OE1 GLN A 64 7.747 -11.726 3.427 1.00 0.00 O ATOM 959 NE2 GLN A 64 6.791 -13.696 2.927 1.00 0.00 N ATOM 0 H GLN A 64 6.838 -9.129 -1.232 1.00 0.00 H new ATOM 0 HA GLN A 64 7.837 -11.133 0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 64 6.700 -9.784 2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.220 -9.791 1.296 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.903 -11.446 2.950 1.00 0.00 H new ATOM 0 HG3 GLN A 64 5.243 -12.336 1.479 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.013 -14.188 2.487 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.537 -14.224 3.380 1.00 0.00 H new ATOM 968 N ASP A 65 6.555 -12.692 -0.910 1.00 0.00 N ATOM 969 CA ASP A 65 5.880 -13.608 -1.823 1.00 0.00 C ATOM 970 C ASP A 65 5.677 -12.961 -3.189 1.00 0.00 C ATOM 971 O ASP A 65 4.648 -13.162 -3.835 1.00 0.00 O ATOM 972 CB ASP A 65 4.532 -14.038 -1.243 1.00 0.00 C ATOM 973 CG ASP A 65 4.121 -15.424 -1.699 1.00 0.00 C ATOM 974 OD1 ASP A 65 4.563 -15.846 -2.788 1.00 0.00 O ATOM 975 OD2 ASP A 65 3.359 -16.088 -0.966 1.00 0.00 O ATOM 0 H ASP A 65 7.370 -13.088 -0.442 1.00 0.00 H new ATOM 0 HA ASP A 65 6.510 -14.488 -1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.585 -14.018 -0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.767 -13.320 -1.538 1.00 0.00 H new ATOM 980 N ARG A 66 6.664 -12.184 -3.623 1.00 0.00 N ATOM 981 CA ARG A 66 6.593 -11.507 -4.912 1.00 0.00 C ATOM 982 C ARG A 66 5.471 -10.473 -4.921 1.00 0.00 C ATOM 983 O ARG A 66 4.921 -10.149 -5.974 1.00 0.00 O ATOM 984 CB ARG A 66 6.375 -12.522 -6.035 1.00 0.00 C ATOM 985 CG ARG A 66 7.450 -13.595 -6.103 1.00 0.00 C ATOM 986 CD ARG A 66 8.598 -13.177 -7.008 1.00 0.00 C ATOM 987 NE ARG A 66 9.511 -14.284 -7.281 1.00 0.00 N ATOM 988 CZ ARG A 66 10.475 -14.664 -6.450 1.00 0.00 C ATOM 989 NH1 ARG A 66 10.651 -14.029 -5.299 1.00 0.00 N ATOM 990 NH2 ARG A 66 11.265 -15.681 -6.769 1.00 0.00 N ATOM 0 H ARG A 66 7.522 -12.008 -3.101 1.00 0.00 H new ATOM 0 HA ARG A 66 7.540 -10.993 -5.077 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.405 -13.000 -5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.339 -11.995 -6.988 1.00 0.00 H new ATOM 0 HG2 ARG A 66 7.830 -13.795 -5.101 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.015 -14.524 -6.471 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.198 -12.796 -7.948 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.148 -12.360 -6.542 1.00 0.00 H new ATOM 0 HE ARG A 66 9.402 -14.793 -8.158 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.045 -13.247 -5.050 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.392 -14.323 -4.663 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.132 -16.172 -7.653 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.005 -15.972 -6.130 1.00 0.00 H new ATOM 1004 N ILE A 67 5.136 -9.960 -3.742 1.00 0.00 N ATOM 1005 CA ILE A 67 4.080 -8.963 -3.615 1.00 0.00 C ATOM 1006 C ILE A 67 4.610 -7.678 -2.990 1.00 0.00 C ATOM 1007 O ILE A 67 5.129 -7.686 -1.874 1.00 0.00 O ATOM 1008 CB ILE A 67 2.908 -9.490 -2.765 1.00 0.00 C ATOM 1009 CG1 ILE A 67 2.639 -10.962 -3.085 1.00 0.00 C ATOM 1010 CG2 ILE A 67 1.661 -8.653 -3.007 1.00 0.00 C ATOM 1011 CD1 ILE A 67 2.263 -11.207 -4.530 1.00 0.00 C ATOM 0 H ILE A 67 5.581 -10.218 -2.861 1.00 0.00 H new ATOM 0 HA ILE A 67 3.721 -8.752 -4.623 1.00 0.00 H new ATOM 0 HB ILE A 67 3.177 -9.410 -1.712 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.528 -11.546 -2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.836 -11.324 -2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.841 -9.037 -2.400 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.860 -7.617 -2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.387 -8.705 -4.061 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.087 -12.271 -4.685 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.357 -10.651 -4.770 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.074 -10.876 -5.178 1.00 0.00 H new ATOM 1023 N VAL A 68 4.473 -6.573 -3.716 1.00 0.00 N ATOM 1024 CA VAL A 68 4.935 -5.277 -3.231 1.00 0.00 C ATOM 1025 C VAL A 68 3.779 -4.455 -2.674 1.00 0.00 C ATOM 1026 O VAL A 68 2.765 -4.256 -3.344 1.00 0.00 O ATOM 1027 CB VAL A 68 5.629 -4.476 -4.348 1.00 0.00 C ATOM 1028 CG1 VAL A 68 6.066 -3.112 -3.834 1.00 0.00 C ATOM 1029 CG2 VAL A 68 6.815 -5.251 -4.902 1.00 0.00 C ATOM 0 H VAL A 68 4.046 -6.549 -4.642 1.00 0.00 H new ATOM 0 HA VAL A 68 5.653 -5.474 -2.435 1.00 0.00 H new ATOM 0 HB VAL A 68 4.916 -4.322 -5.157 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.555 -2.560 -4.637 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.194 -2.556 -3.490 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.763 -3.241 -3.006 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.293 -4.670 -5.690 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.532 -5.438 -4.103 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.470 -6.201 -5.310 1.00 0.00 H new ATOM 1039 N TYR A 69 3.938 -3.979 -1.444 1.00 0.00 N ATOM 1040 CA TYR A 69 2.906 -3.179 -0.795 1.00 0.00 C ATOM 1041 C TYR A 69 3.387 -1.749 -0.570 1.00 0.00 C ATOM 1042 O TYR A 69 4.114 -1.468 0.384 1.00 0.00 O ATOM 1043 CB TYR A 69 2.507 -3.810 0.540 1.00 0.00 C ATOM 1044 CG TYR A 69 2.221 -5.292 0.448 1.00 0.00 C ATOM 1045 CD1 TYR A 69 3.249 -6.207 0.258 1.00 0.00 C ATOM 1046 CD2 TYR A 69 0.923 -5.777 0.550 1.00 0.00 C ATOM 1047 CE1 TYR A 69 2.993 -7.562 0.173 1.00 0.00 C ATOM 1048 CE2 TYR A 69 0.658 -7.130 0.467 1.00 0.00 C ATOM 1049 CZ TYR A 69 1.696 -8.019 0.278 1.00 0.00 C ATOM 1050 OH TYR A 69 1.435 -9.367 0.194 1.00 0.00 O ATOM 0 H TYR A 69 4.771 -4.133 -0.877 1.00 0.00 H new ATOM 0 HA TYR A 69 2.036 -3.152 -1.451 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.307 -3.647 1.263 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.623 -3.301 0.923 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.266 -5.853 0.175 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.107 -5.084 0.697 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.804 -8.260 0.025 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.357 -7.490 0.550 1.00 0.00 H new ATOM 0 HH TYR A 69 0.472 -9.520 0.289 1.00 0.00 H new ATOM 1060 N LEU A 70 2.975 -0.848 -1.455 1.00 0.00 N ATOM 1061 CA LEU A 70 3.362 0.555 -1.355 1.00 0.00 C ATOM 1062 C LEU A 70 2.234 1.390 -0.757 1.00 0.00 C ATOM 1063 O LEU A 70 1.056 1.077 -0.933 1.00 0.00 O ATOM 1064 CB LEU A 70 3.738 1.100 -2.734 1.00 0.00 C ATOM 1065 CG LEU A 70 4.287 2.527 -2.765 1.00 0.00 C ATOM 1066 CD1 LEU A 70 5.264 2.699 -3.918 1.00 0.00 C ATOM 1067 CD2 LEU A 70 3.151 3.534 -2.872 1.00 0.00 C ATOM 0 H LEU A 70 2.373 -1.064 -2.250 1.00 0.00 H new ATOM 0 HA LEU A 70 4.228 0.621 -0.696 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.482 0.436 -3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.855 1.058 -3.372 1.00 0.00 H new ATOM 0 HG LEU A 70 4.821 2.710 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.644 3.721 -3.924 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.095 2.004 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.754 2.496 -4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.561 4.544 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.588 3.352 -3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.489 3.429 -2.012 1.00 0.00 H new ATOM 1079 N CYS A 71 2.603 2.453 -0.051 1.00 0.00 N ATOM 1080 CA CYS A 71 1.622 3.334 0.573 1.00 0.00 C ATOM 1081 C CYS A 71 2.167 4.752 0.699 1.00 0.00 C ATOM 1082 O CYS A 71 3.338 4.951 1.026 1.00 0.00 O ATOM 1083 CB CYS A 71 1.231 2.801 1.953 1.00 0.00 C ATOM 1084 SG CYS A 71 2.499 3.034 3.220 1.00 0.00 S ATOM 0 H CYS A 71 3.574 2.726 0.104 1.00 0.00 H new ATOM 0 HA CYS A 71 0.737 3.359 -0.063 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.315 3.296 2.276 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.007 1.738 1.870 1.00 0.00 H new ATOM 0 HG CYS A 71 3.358 3.922 2.816 1.00 0.00 H new ATOM 1090 N ILE A 72 1.312 5.735 0.435 1.00 0.00 N ATOM 1091 CA ILE A 72 1.709 7.135 0.518 1.00 0.00 C ATOM 1092 C ILE A 72 1.192 7.778 1.800 1.00 0.00 C ATOM 1093 O ILE A 72 0.006 7.689 2.119 1.00 0.00 O ATOM 1094 CB ILE A 72 1.193 7.939 -0.691 1.00 0.00 C ATOM 1095 CG1 ILE A 72 1.722 7.338 -1.994 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.603 9.399 -0.569 1.00 0.00 C ATOM 1097 CD1 ILE A 72 0.819 7.582 -3.183 1.00 0.00 C ATOM 0 H ILE A 72 0.340 5.587 0.162 1.00 0.00 H new ATOM 0 HA ILE A 72 2.799 7.155 0.519 1.00 0.00 H new ATOM 0 HB ILE A 72 0.104 7.888 -0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.706 7.756 -2.204 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.853 6.264 -1.862 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.231 9.954 -1.430 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.182 9.820 0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.690 9.470 -0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.257 7.128 -4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.159 7.140 -2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.707 8.655 -3.341 1.00 0.00 H new ATOM 1109 N THR A 73 2.090 8.428 2.533 1.00 0.00 N ATOM 1110 CA THR A 73 1.726 9.088 3.781 1.00 0.00 C ATOM 1111 C THR A 73 2.431 10.432 3.919 1.00 0.00 C ATOM 1112 O THR A 73 3.253 10.802 3.080 1.00 0.00 O ATOM 1113 CB THR A 73 2.071 8.212 5.001 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.491 8.065 5.112 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.421 6.842 4.884 1.00 0.00 C ATOM 0 H THR A 73 3.076 8.512 2.284 1.00 0.00 H new ATOM 0 HA THR A 73 0.648 9.248 3.751 1.00 0.00 H new ATOM 0 HB THR A 73 1.686 8.703 5.895 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.702 7.509 5.891 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.679 6.241 5.756 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.338 6.956 4.829 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.779 6.345 3.983 1.00 0.00 H new ATOM 1123 N ASP A 74 2.105 11.159 4.982 1.00 0.00 N ATOM 1124 CA ASP A 74 2.709 12.463 5.231 1.00 0.00 C ATOM 1125 C ASP A 74 3.997 12.320 6.037 1.00 0.00 C ATOM 1126 O ASP A 74 4.077 11.509 6.960 1.00 0.00 O ATOM 1127 CB ASP A 74 1.727 13.371 5.972 1.00 0.00 C ATOM 1128 CG ASP A 74 2.081 14.839 5.839 1.00 0.00 C ATOM 1129 OD1 ASP A 74 2.265 15.303 4.694 1.00 0.00 O ATOM 1130 OD2 ASP A 74 2.175 15.523 6.878 1.00 0.00 O ATOM 0 H ASP A 74 1.426 10.868 5.685 1.00 0.00 H new ATOM 0 HA ASP A 74 2.952 12.913 4.268 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.722 13.206 5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.711 13.099 7.027 1.00 0.00 H new ATOM 1135 N ASP A 75 5.002 13.112 5.681 1.00 0.00 N ATOM 1136 CA ASP A 75 6.287 13.074 6.371 1.00 0.00 C ATOM 1137 C ASP A 75 6.092 12.884 7.872 1.00 0.00 C ATOM 1138 O ASP A 75 6.719 12.020 8.484 1.00 0.00 O ATOM 1139 CB ASP A 75 7.070 14.361 6.105 1.00 0.00 C ATOM 1140 CG ASP A 75 8.566 14.169 6.259 1.00 0.00 C ATOM 1141 OD1 ASP A 75 9.164 13.461 5.422 1.00 0.00 O ATOM 1142 OD2 ASP A 75 9.140 14.729 7.217 1.00 0.00 O ATOM 0 H ASP A 75 4.952 13.788 4.919 1.00 0.00 H new ATOM 0 HA ASP A 75 6.854 12.226 5.986 1.00 0.00 H new ATOM 0 HB2 ASP A 75 6.853 14.713 5.096 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.733 15.137 6.793 1.00 0.00 H new ATOM 1147 N ASP A 76 5.219 13.696 8.458 1.00 0.00 N ATOM 1148 CA ASP A 76 4.942 13.617 9.887 1.00 0.00 C ATOM 1149 C ASP A 76 4.667 12.177 10.309 1.00 0.00 C ATOM 1150 O ASP A 76 5.190 11.704 11.318 1.00 0.00 O ATOM 1151 CB ASP A 76 3.748 14.503 10.246 1.00 0.00 C ATOM 1152 CG ASP A 76 4.143 15.953 10.450 1.00 0.00 C ATOM 1153 OD1 ASP A 76 4.472 16.321 11.597 1.00 0.00 O ATOM 1154 OD2 ASP A 76 4.122 16.718 9.464 1.00 0.00 O ATOM 0 H ASP A 76 4.691 14.416 7.965 1.00 0.00 H new ATOM 0 HA ASP A 76 5.823 13.972 10.423 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.002 14.441 9.454 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.280 14.126 11.155 1.00 0.00 H new ATOM 1159 N PHE A 77 3.843 11.485 9.530 1.00 0.00 N ATOM 1160 CA PHE A 77 3.497 10.099 9.823 1.00 0.00 C ATOM 1161 C PHE A 77 4.752 9.243 9.961 1.00 0.00 C ATOM 1162 O PHE A 77 5.343 8.825 8.966 1.00 0.00 O ATOM 1163 CB PHE A 77 2.597 9.532 8.723 1.00 0.00 C ATOM 1164 CG PHE A 77 1.665 8.457 9.206 1.00 0.00 C ATOM 1165 CD1 PHE A 77 0.677 8.743 10.134 1.00 0.00 C ATOM 1166 CD2 PHE A 77 1.779 7.160 8.732 1.00 0.00 C ATOM 1167 CE1 PHE A 77 -0.182 7.756 10.580 1.00 0.00 C ATOM 1168 CE2 PHE A 77 0.922 6.169 9.173 1.00 0.00 C ATOM 1169 CZ PHE A 77 -0.058 6.467 10.099 1.00 0.00 C ATOM 0 H PHE A 77 3.402 11.861 8.691 1.00 0.00 H new ATOM 0 HA PHE A 77 2.958 10.078 10.770 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.011 10.343 8.290 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.221 9.129 7.925 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.577 9.749 10.514 1.00 0.00 H new ATOM 0 HD2 PHE A 77 2.546 6.921 8.010 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.949 7.992 11.303 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.019 5.162 8.794 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.727 5.693 10.447 1.00 0.00 H new ATOM 1179 N GLU A 78 5.153 8.986 11.202 1.00 0.00 N ATOM 1180 CA GLU A 78 6.338 8.181 11.470 1.00 0.00 C ATOM 1181 C GLU A 78 6.346 6.920 10.610 1.00 0.00 C ATOM 1182 O GLU A 78 5.377 6.161 10.595 1.00 0.00 O ATOM 1183 CB GLU A 78 6.400 7.801 12.951 1.00 0.00 C ATOM 1184 CG GLU A 78 7.745 7.239 13.380 1.00 0.00 C ATOM 1185 CD GLU A 78 7.797 6.915 14.860 1.00 0.00 C ATOM 1186 OE1 GLU A 78 6.749 6.529 15.420 1.00 0.00 O ATOM 1187 OE2 GLU A 78 8.885 7.047 15.459 1.00 0.00 O ATOM 0 H GLU A 78 4.675 9.324 12.037 1.00 0.00 H new ATOM 0 HA GLU A 78 7.215 8.778 11.218 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.175 8.681 13.553 1.00 0.00 H new ATOM 0 HB3 GLU A 78 5.624 7.065 13.161 1.00 0.00 H new ATOM 0 HG2 GLU A 78 7.957 6.336 12.807 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.528 7.959 13.142 1.00 0.00 H new ATOM 1194 N ARG A 79 7.445 6.706 9.895 1.00 0.00 N ATOM 1195 CA ARG A 79 7.579 5.539 9.031 1.00 0.00 C ATOM 1196 C ARG A 79 7.082 4.280 9.737 1.00 0.00 C ATOM 1197 O ARG A 79 6.421 3.437 9.131 1.00 0.00 O ATOM 1198 CB ARG A 79 9.037 5.357 8.607 1.00 0.00 C ATOM 1199 CG ARG A 79 9.905 4.706 9.671 1.00 0.00 C ATOM 1200 CD ARG A 79 11.384 4.937 9.403 1.00 0.00 C ATOM 1201 NE ARG A 79 11.764 6.334 9.599 1.00 0.00 N ATOM 1202 CZ ARG A 79 13.009 6.730 9.840 1.00 0.00 C ATOM 1203 NH1 ARG A 79 13.989 5.840 9.913 1.00 0.00 N ATOM 1204 NH2 ARG A 79 13.275 8.019 10.007 1.00 0.00 N ATOM 0 H ARG A 79 8.256 7.325 9.897 1.00 0.00 H new ATOM 0 HA ARG A 79 6.968 5.703 8.144 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.070 4.750 7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.457 6.330 8.354 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.645 5.108 10.650 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.703 3.635 9.702 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.975 4.304 10.065 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.619 4.637 8.382 1.00 0.00 H new ATOM 0 HE ARG A 79 11.034 7.044 9.548 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.788 4.848 9.784 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.944 6.147 10.098 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.523 8.706 9.950 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.231 8.323 10.192 1.00 0.00 H new ATOM 1218 N SER A 80 7.407 4.160 11.020 1.00 0.00 N ATOM 1219 CA SER A 80 6.998 3.003 11.807 1.00 0.00 C ATOM 1220 C SER A 80 5.506 2.730 11.637 1.00 0.00 C ATOM 1221 O SER A 80 5.109 1.665 11.164 1.00 0.00 O ATOM 1222 CB SER A 80 7.322 3.224 13.285 1.00 0.00 C ATOM 1223 OG SER A 80 8.694 2.987 13.548 1.00 0.00 O ATOM 0 H SER A 80 7.952 4.850 11.537 1.00 0.00 H new ATOM 0 HA SER A 80 7.552 2.136 11.447 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.065 4.245 13.568 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.711 2.561 13.897 1.00 0.00 H new ATOM 0 HG SER A 80 8.875 3.137 14.499 1.00 0.00 H new ATOM 1229 N ARG A 81 4.686 3.700 12.026 1.00 0.00 N ATOM 1230 CA ARG A 81 3.238 3.566 11.918 1.00 0.00 C ATOM 1231 C ARG A 81 2.844 3.010 10.553 1.00 0.00 C ATOM 1232 O ARG A 81 2.059 2.067 10.458 1.00 0.00 O ATOM 1233 CB ARG A 81 2.560 4.918 12.146 1.00 0.00 C ATOM 1234 CG ARG A 81 2.686 5.430 13.571 1.00 0.00 C ATOM 1235 CD ARG A 81 2.623 6.949 13.625 1.00 0.00 C ATOM 1236 NE ARG A 81 1.249 7.438 13.694 1.00 0.00 N ATOM 1237 CZ ARG A 81 0.519 7.424 14.804 1.00 0.00 C ATOM 1238 NH1 ARG A 81 1.029 6.950 15.932 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -0.725 7.887 14.787 1.00 0.00 N ATOM 0 H ARG A 81 4.999 4.588 12.419 1.00 0.00 H new ATOM 0 HA ARG A 81 2.905 2.867 12.685 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.993 5.651 11.466 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.504 4.833 11.892 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.887 5.010 14.182 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.628 5.088 14.000 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.178 7.304 14.493 1.00 0.00 H new ATOM 0 HD3 ARG A 81 3.111 7.364 12.743 1.00 0.00 H new ATOM 0 HE ARG A 81 0.827 7.811 12.844 1.00 0.00 H new ATOM 0 HH11 ARG A 81 1.985 6.594 15.950 1.00 0.00 H new ATOM 0 HH12 ARG A 81 0.466 6.941 16.782 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.121 8.254 13.921 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.285 7.876 15.639 1.00 0.00 H new ATOM 1253 N ALA A 82 3.394 3.602 9.498 1.00 0.00 N ATOM 1254 CA ALA A 82 3.101 3.166 8.138 1.00 0.00 C ATOM 1255 C ALA A 82 3.426 1.687 7.954 1.00 0.00 C ATOM 1256 O ALA A 82 2.624 0.928 7.410 1.00 0.00 O ATOM 1257 CB ALA A 82 3.875 4.008 7.135 1.00 0.00 C ATOM 0 H ALA A 82 4.045 4.385 9.559 1.00 0.00 H new ATOM 0 HA ALA A 82 2.034 3.301 7.961 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.646 3.671 6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.590 5.055 7.242 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.944 3.902 7.320 1.00 0.00 H new ATOM 1263 N PHE A 83 4.608 1.285 8.409 1.00 0.00 N ATOM 1264 CA PHE A 83 5.041 -0.102 8.292 1.00 0.00 C ATOM 1265 C PHE A 83 4.090 -1.033 9.040 1.00 0.00 C ATOM 1266 O PHE A 83 3.781 -2.128 8.572 1.00 0.00 O ATOM 1267 CB PHE A 83 6.462 -0.263 8.836 1.00 0.00 C ATOM 1268 CG PHE A 83 7.526 0.177 7.872 1.00 0.00 C ATOM 1269 CD1 PHE A 83 7.719 -0.498 6.678 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.333 1.266 8.160 1.00 0.00 C ATOM 1271 CE1 PHE A 83 8.698 -0.095 5.789 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.313 1.673 7.276 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.496 0.992 6.088 1.00 0.00 C ATOM 0 H PHE A 83 5.283 1.901 8.862 1.00 0.00 H new ATOM 0 HA PHE A 83 5.031 -0.372 7.236 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.557 0.312 9.757 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.627 -1.309 9.095 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.098 -1.349 6.439 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.194 1.803 9.087 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.839 -0.630 4.861 1.00 0.00 H new ATOM 0 HE2 PHE A 83 9.936 2.523 7.513 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.261 1.309 5.395 1.00 0.00 H new ATOM 1283 N ASN A 84 3.629 -0.588 10.204 1.00 0.00 N ATOM 1284 CA ASN A 84 2.714 -1.380 11.018 1.00 0.00 C ATOM 1285 C ASN A 84 1.460 -1.742 10.229 1.00 0.00 C ATOM 1286 O ASN A 84 1.142 -2.919 10.053 1.00 0.00 O ATOM 1287 CB ASN A 84 2.330 -0.613 12.284 1.00 0.00 C ATOM 1288 CG ASN A 84 1.296 -1.349 13.114 1.00 0.00 C ATOM 1289 OD1 ASN A 84 0.206 -0.834 13.368 1.00 0.00 O ATOM 1290 ND2 ASN A 84 1.633 -2.560 13.542 1.00 0.00 N ATOM 0 H ASN A 84 3.874 0.317 10.605 1.00 0.00 H new ATOM 0 HA ASN A 84 3.223 -2.301 11.301 1.00 0.00 H new ATOM 0 HB2 ASN A 84 3.222 -0.443 12.887 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.940 0.367 12.008 1.00 0.00 H new ATOM 0 HD21 ASN A 84 0.978 -3.103 14.105 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.547 -2.948 13.308 1.00 0.00 H new ATOM 1297 N PHE A 85 0.750 -0.723 9.755 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.470 -0.934 8.985 1.00 0.00 C ATOM 1299 C PHE A 85 -0.210 -1.852 7.795 1.00 0.00 C ATOM 1300 O PHE A 85 -0.911 -2.847 7.599 1.00 0.00 O ATOM 1301 CB PHE A 85 -1.028 0.405 8.498 1.00 0.00 C ATOM 1302 CG PHE A 85 -1.870 0.289 7.260 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -1.284 0.290 6.005 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -3.249 0.179 7.352 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -2.056 0.182 4.863 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -4.026 0.071 6.214 1.00 0.00 C ATOM 1307 CZ PHE A 85 -3.429 0.074 4.968 1.00 0.00 C ATOM 0 H PHE A 85 0.999 0.257 9.891 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.203 -1.411 9.636 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.625 0.851 9.293 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.199 1.085 8.302 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.211 0.376 5.917 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -3.721 0.178 8.323 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.586 0.182 3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -5.099 -0.016 6.299 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.035 -0.008 4.078 1.00 0.00 H new ATOM 1317 N LEU A 86 0.800 -1.512 7.002 1.00 0.00 N ATOM 1318 CA LEU A 86 1.153 -2.306 5.830 1.00 0.00 C ATOM 1319 C LEU A 86 1.314 -3.777 6.197 1.00 0.00 C ATOM 1320 O LEU A 86 0.823 -4.660 5.494 1.00 0.00 O ATOM 1321 CB LEU A 86 2.446 -1.780 5.205 1.00 0.00 C ATOM 1322 CG LEU A 86 2.323 -0.490 4.393 1.00 0.00 C ATOM 1323 CD1 LEU A 86 3.699 0.047 4.031 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.494 -0.726 3.139 1.00 0.00 C ATOM 0 H LEU A 86 1.389 -0.692 7.149 1.00 0.00 H new ATOM 0 HA LEU A 86 0.344 -2.218 5.105 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.171 -1.616 6.002 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.855 -2.556 4.557 1.00 0.00 H new ATOM 0 HG LEU A 86 1.815 0.255 5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.591 0.965 3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.260 0.255 4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.234 -0.694 3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.417 0.203 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.974 -1.487 2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.496 -1.063 3.420 1.00 0.00 H new ATOM 1336 N ASN A 87 2.004 -4.034 7.303 1.00 0.00 N ATOM 1337 CA ASN A 87 2.229 -5.399 7.765 1.00 0.00 C ATOM 1338 C ASN A 87 0.905 -6.105 8.041 1.00 0.00 C ATOM 1339 O ASN A 87 0.739 -7.282 7.722 1.00 0.00 O ATOM 1340 CB ASN A 87 3.092 -5.397 9.028 1.00 0.00 C ATOM 1341 CG ASN A 87 4.574 -5.473 8.716 1.00 0.00 C ATOM 1342 OD1 ASN A 87 4.994 -6.207 7.821 1.00 0.00 O ATOM 1343 ND2 ASN A 87 5.374 -4.713 9.455 1.00 0.00 N ATOM 0 H ASN A 87 2.417 -3.315 7.896 1.00 0.00 H new ATOM 0 HA ASN A 87 2.752 -5.941 6.977 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.890 -4.492 9.601 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.812 -6.242 9.657 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.381 -4.722 9.291 1.00 0.00 H new ATOM 0 HD22 ASN A 87 4.982 -4.120 10.186 1.00 0.00 H new ATOM 1350 N GLU A 88 -0.035 -5.376 8.635 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.345 -5.933 8.954 1.00 0.00 C ATOM 1352 C GLU A 88 -2.043 -6.437 7.695 1.00 0.00 C ATOM 1353 O GLU A 88 -2.322 -7.629 7.562 1.00 0.00 O ATOM 1354 CB GLU A 88 -2.215 -4.882 9.647 1.00 0.00 C ATOM 1355 CG GLU A 88 -1.910 -4.720 11.127 1.00 0.00 C ATOM 1356 CD GLU A 88 -2.408 -3.399 11.683 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -1.660 -2.403 11.605 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -3.545 -3.364 12.197 1.00 0.00 O ATOM 0 H GLU A 88 0.086 -4.400 8.905 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.199 -6.776 9.629 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.077 -3.922 9.149 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.264 -5.155 9.528 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -2.369 -5.539 11.681 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.834 -4.793 11.283 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.322 -5.522 6.773 1.00 0.00 N ATOM 1366 CA ILE A 89 -2.987 -5.873 5.525 1.00 0.00 C ATOM 1367 C ILE A 89 -2.128 -6.819 4.692 1.00 0.00 C ATOM 1368 O ILE A 89 -2.645 -7.684 3.984 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.311 -4.621 4.688 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -2.072 -3.733 4.558 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.461 -3.848 5.315 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.263 -2.564 3.618 1.00 0.00 C ATOM 0 H ILE A 89 -2.098 -4.531 6.867 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.918 -6.372 5.793 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.614 -4.937 3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.800 -3.356 5.544 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.236 -4.338 4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.678 -2.966 4.712 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.345 -4.484 5.360 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.185 -3.539 6.323 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.345 -1.978 3.575 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.505 -2.934 2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.077 -1.936 3.979 1.00 0.00 H new ATOM 1384 N LYS A 90 -0.814 -6.650 4.782 1.00 0.00 N ATOM 1385 CA LYS A 90 0.119 -7.490 4.041 1.00 0.00 C ATOM 1386 C LYS A 90 -0.031 -8.955 4.441 1.00 0.00 C ATOM 1387 O LYS A 90 -0.162 -9.832 3.587 1.00 0.00 O ATOM 1388 CB LYS A 90 1.558 -7.029 4.284 1.00 0.00 C ATOM 1389 CG LYS A 90 2.600 -7.916 3.626 1.00 0.00 C ATOM 1390 CD LYS A 90 4.010 -7.434 3.924 1.00 0.00 C ATOM 1391 CE LYS A 90 4.559 -8.064 5.195 1.00 0.00 C ATOM 1392 NZ LYS A 90 4.770 -9.530 5.040 1.00 0.00 N ATOM 0 H LYS A 90 -0.370 -5.938 5.362 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.112 -7.396 2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.672 -6.011 3.912 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.745 -6.999 5.357 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.482 -8.941 3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.439 -7.930 2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.663 -7.676 3.086 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.011 -6.349 4.025 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.503 -7.587 5.459 1.00 0.00 H new ATOM 0 HE3 LYS A 90 3.869 -7.881 6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.384 -9.875 5.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 3.853 -10.019 5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.220 -9.721 4.122 1.00 0.00 H new ATOM 1406 N LYS A 91 -0.013 -9.212 5.744 1.00 0.00 N ATOM 1407 CA LYS A 91 -0.149 -10.569 6.259 1.00 0.00 C ATOM 1408 C LYS A 91 -1.541 -11.122 5.972 1.00 0.00 C ATOM 1409 O LYS A 91 -1.712 -12.325 5.770 1.00 0.00 O ATOM 1410 CB LYS A 91 0.121 -10.595 7.765 1.00 0.00 C ATOM 1411 CG LYS A 91 1.593 -10.482 8.122 1.00 0.00 C ATOM 1412 CD LYS A 91 2.339 -11.772 7.826 1.00 0.00 C ATOM 1413 CE LYS A 91 2.333 -12.707 9.025 1.00 0.00 C ATOM 1414 NZ LYS A 91 1.159 -13.623 9.009 1.00 0.00 N ATOM 0 H LYS A 91 0.095 -8.497 6.464 1.00 0.00 H new ATOM 0 HA LYS A 91 0.584 -11.198 5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.422 -9.776 8.237 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.275 -11.522 8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.043 -9.663 7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.694 -10.236 9.179 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.881 -12.271 6.972 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.368 -11.543 7.547 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.251 -13.294 9.032 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.323 -12.120 9.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.394 -14.498 9.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 0.350 -13.159 9.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.911 -13.853 8.025 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.533 -10.237 5.954 1.00 0.00 N ATOM 1429 CA ARG A 92 -3.910 -10.638 5.691 1.00 0.00 C ATOM 1430 C ARG A 92 -4.085 -11.057 4.234 1.00 0.00 C ATOM 1431 O ARG A 92 -4.689 -12.089 3.942 1.00 0.00 O ATOM 1432 CB ARG A 92 -4.868 -9.493 6.022 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.316 -9.474 7.475 1.00 0.00 C ATOM 1434 CD ARG A 92 -6.632 -8.731 7.642 1.00 0.00 C ATOM 1435 NE ARG A 92 -7.211 -8.936 8.968 1.00 0.00 N ATOM 1436 CZ ARG A 92 -7.853 -10.041 9.327 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -7.997 -11.038 8.465 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -8.351 -10.152 10.552 1.00 0.00 N ATOM 0 H ARG A 92 -2.409 -9.238 6.118 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.142 -11.492 6.327 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.383 -8.545 5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.746 -9.568 5.381 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.426 -10.496 7.837 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.549 -9.000 8.087 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.470 -7.666 7.478 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.337 -9.067 6.882 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.117 -8.189 9.656 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.614 -10.957 7.523 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.491 -11.886 8.744 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.241 -9.388 11.219 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -8.844 -11.001 10.827 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.554 -10.248 3.323 1.00 0.00 N ATOM 1453 CA PHE A 93 -3.653 -10.534 1.896 1.00 0.00 C ATOM 1454 C PHE A 93 -2.883 -11.802 1.541 1.00 0.00 C ATOM 1455 O PHE A 93 -3.386 -12.664 0.821 1.00 0.00 O ATOM 1456 CB PHE A 93 -3.120 -9.354 1.080 1.00 0.00 C ATOM 1457 CG PHE A 93 -3.092 -9.613 -0.399 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -2.010 -10.251 -0.984 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -4.147 -9.218 -1.205 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -1.981 -10.489 -2.345 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -4.125 -9.454 -2.567 1.00 0.00 C ATOM 1462 CZ PHE A 93 -3.040 -10.092 -3.137 1.00 0.00 C ATOM 0 H PHE A 93 -3.051 -9.389 3.547 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.704 -10.689 1.654 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.738 -8.478 1.276 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.112 -9.114 1.418 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.180 -10.566 -0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -4.997 -8.719 -0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.131 -10.985 -2.789 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -4.954 -9.140 -3.184 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.020 -10.280 -4.200 1.00 0.00 H new ATOM 1472 N GLN A 94 -1.660 -11.907 2.051 1.00 0.00 N ATOM 1473 CA GLN A 94 -0.820 -13.069 1.786 1.00 0.00 C ATOM 1474 C GLN A 94 -1.404 -14.322 2.432 1.00 0.00 C ATOM 1475 O GLN A 94 -1.228 -15.432 1.929 1.00 0.00 O ATOM 1476 CB GLN A 94 0.599 -12.828 2.305 1.00 0.00 C ATOM 1477 CG GLN A 94 0.791 -13.228 3.759 1.00 0.00 C ATOM 1478 CD GLN A 94 2.235 -13.120 4.208 1.00 0.00 C ATOM 1479 OE1 GLN A 94 2.784 -11.912 4.150 1.00 0.00 O flip ATOM 1480 NE2 GLN A 94 2.850 -14.111 4.603 1.00 0.00 N flip ATOM 0 H GLN A 94 -1.229 -11.202 2.649 1.00 0.00 H new ATOM 0 HA GLN A 94 -0.784 -13.221 0.707 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.303 -13.386 1.687 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.844 -11.772 2.192 1.00 0.00 H new ATOM 0 HG2 GLN A 94 0.169 -12.594 4.391 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.447 -14.253 3.898 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.388 -15.020 4.631 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.821 -14.023 4.902 1.00 0.00 H new ATOM 1489 N THR A 95 -2.100 -14.136 3.549 1.00 0.00 N ATOM 1490 CA THR A 95 -2.709 -15.250 4.264 1.00 0.00 C ATOM 1491 C THR A 95 -4.113 -15.537 3.743 1.00 0.00 C ATOM 1492 O THR A 95 -4.633 -16.642 3.903 1.00 0.00 O ATOM 1493 CB THR A 95 -2.782 -14.974 5.778 1.00 0.00 C ATOM 1494 OG1 THR A 95 -1.463 -14.811 6.310 1.00 0.00 O ATOM 1495 CG2 THR A 95 -3.489 -16.109 6.502 1.00 0.00 C ATOM 0 H THR A 95 -2.256 -13.224 3.978 1.00 0.00 H new ATOM 0 HA THR A 95 -2.075 -16.120 4.091 1.00 0.00 H new ATOM 0 HB THR A 95 -3.351 -14.057 5.930 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.305 -13.864 6.507 1.00 0.00 H new ATOM 0 HG21 THR A 95 -3.528 -15.891 7.569 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.503 -16.212 6.115 1.00 0.00 H new ATOM 0 HG23 THR A 95 -2.943 -17.039 6.341 1.00 0.00 H new ATOM 1503 N THR A 96 -4.723 -14.535 3.118 1.00 0.00 N ATOM 1504 CA THR A 96 -6.067 -14.679 2.574 1.00 0.00 C ATOM 1505 C THR A 96 -6.027 -14.939 1.072 1.00 0.00 C ATOM 1506 O THR A 96 -6.395 -16.019 0.609 1.00 0.00 O ATOM 1507 CB THR A 96 -6.920 -13.425 2.844 1.00 0.00 C ATOM 1508 OG1 THR A 96 -6.917 -13.123 4.243 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.350 -13.631 2.367 1.00 0.00 C ATOM 0 H THR A 96 -4.307 -13.615 2.976 1.00 0.00 H new ATOM 0 HA THR A 96 -6.521 -15.533 3.076 1.00 0.00 H new ATOM 0 HB THR A 96 -6.486 -12.591 2.292 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.015 -12.857 4.518 1.00 0.00 H new ATOM 0 HG21 THR A 96 -8.934 -12.733 2.568 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.351 -13.832 1.296 1.00 0.00 H new ATOM 0 HG23 THR A 96 -8.792 -14.476 2.895 1.00 0.00 H new ATOM 1517 N TYR A 97 -5.579 -13.943 0.316 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.493 -14.064 -1.135 1.00 0.00 C ATOM 1519 C TYR A 97 -4.039 -14.059 -1.596 1.00 0.00 C ATOM 1520 O TYR A 97 -3.714 -13.527 -2.657 1.00 0.00 O ATOM 1521 CB TYR A 97 -6.257 -12.923 -1.808 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.620 -12.667 -1.205 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.625 -13.622 -1.279 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -7.901 -11.469 -0.558 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -9.872 -13.392 -0.730 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -9.144 -11.231 -0.004 1.00 0.00 C ATOM 1527 CZ TYR A 97 -10.126 -12.195 -0.093 1.00 0.00 C ATOM 1528 OH TYR A 97 -11.366 -11.963 0.457 1.00 0.00 O ATOM 0 H TYR A 97 -5.270 -13.043 0.683 1.00 0.00 H new ATOM 0 HA TYR A 97 -5.943 -15.014 -1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.663 -12.011 -1.743 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.375 -13.151 -2.867 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.429 -14.561 -1.774 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.134 -10.711 -0.487 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.643 -14.145 -0.799 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.345 -10.295 0.496 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.380 -11.074 0.869 1.00 0.00 H new ATOM 1538 N GLY A 98 -3.167 -14.658 -0.790 1.00 0.00 N ATOM 1539 CA GLY A 98 -1.758 -14.713 -1.132 1.00 0.00 C ATOM 1540 C GLY A 98 -1.461 -15.744 -2.203 1.00 0.00 C ATOM 1541 O GLY A 98 -1.019 -15.400 -3.299 1.00 0.00 O ATOM 0 H GLY A 98 -3.412 -15.106 0.093 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.432 -13.732 -1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.179 -14.945 -0.238 1.00 0.00 H new ATOM 1545 N SER A 99 -1.702 -17.011 -1.885 1.00 0.00 N ATOM 1546 CA SER A 99 -1.453 -18.097 -2.826 1.00 0.00 C ATOM 1547 C SER A 99 -2.095 -17.801 -4.178 1.00 0.00 C ATOM 1548 O SER A 99 -1.470 -17.972 -5.225 1.00 0.00 O ATOM 1549 CB SER A 99 -1.991 -19.416 -2.271 1.00 0.00 C ATOM 1550 OG SER A 99 -1.498 -19.658 -0.964 1.00 0.00 O ATOM 0 H SER A 99 -2.070 -17.312 -0.982 1.00 0.00 H new ATOM 0 HA SER A 99 -0.375 -18.184 -2.965 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.081 -19.389 -2.253 1.00 0.00 H new ATOM 0 HB3 SER A 99 -1.703 -20.236 -2.929 1.00 0.00 H new ATOM 0 HG SER A 99 -1.858 -20.506 -0.631 1.00 0.00 H new ATOM 1556 N ARG A 100 -3.348 -17.358 -4.147 1.00 0.00 N ATOM 1557 CA ARG A 100 -4.077 -17.040 -5.369 1.00 0.00 C ATOM 1558 C ARG A 100 -3.415 -15.883 -6.111 1.00 0.00 C ATOM 1559 O ARG A 100 -3.426 -15.834 -7.341 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.529 -16.688 -5.044 1.00 0.00 C ATOM 1561 CG ARG A 100 -6.400 -17.900 -4.754 1.00 0.00 C ATOM 1562 CD ARG A 100 -7.836 -17.496 -4.457 1.00 0.00 C ATOM 1563 NE ARG A 100 -8.745 -18.638 -4.499 1.00 0.00 N ATOM 1564 CZ ARG A 100 -8.828 -19.547 -3.533 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -8.060 -19.447 -2.457 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -9.680 -20.558 -3.644 1.00 0.00 N ATOM 0 H ARG A 100 -3.879 -17.211 -3.289 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.059 -17.919 -6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.548 -16.023 -4.181 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.956 -16.136 -5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.381 -18.576 -5.609 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.992 -18.448 -3.905 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -7.885 -17.029 -3.473 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.159 -16.748 -5.181 1.00 0.00 H new ATOM 0 HE ARG A 100 -9.349 -18.744 -5.314 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.404 -18.671 -2.369 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.126 -20.146 -1.717 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -10.272 -20.638 -4.471 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -9.743 -21.255 -2.902 1.00 0.00 H new ATOM 1580 N ALA A 101 -2.840 -14.953 -5.355 1.00 0.00 N ATOM 1581 CA ALA A 101 -2.173 -13.797 -5.941 1.00 0.00 C ATOM 1582 C ALA A 101 -1.112 -14.228 -6.948 1.00 0.00 C ATOM 1583 O ALA A 101 -0.631 -13.418 -7.739 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.550 -12.939 -4.850 1.00 0.00 C ATOM 0 H ALA A 101 -2.823 -14.978 -4.335 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.921 -13.206 -6.471 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.055 -12.079 -5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.328 -12.594 -4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.819 -13.529 -4.296 1.00 0.00 H new ATOM 1590 N GLN A 102 -0.754 -15.507 -6.912 1.00 0.00 N ATOM 1591 CA GLN A 102 0.252 -16.044 -7.822 1.00 0.00 C ATOM 1592 C GLN A 102 -0.394 -16.557 -9.105 1.00 0.00 C ATOM 1593 O GLN A 102 0.198 -16.487 -10.182 1.00 0.00 O ATOM 1594 CB GLN A 102 1.034 -17.170 -7.144 1.00 0.00 C ATOM 1595 CG GLN A 102 1.777 -16.729 -5.894 1.00 0.00 C ATOM 1596 CD GLN A 102 2.795 -15.641 -6.174 1.00 0.00 C ATOM 1597 OE1 GLN A 102 2.320 -14.411 -6.333 1.00 0.00 O flip ATOM 1598 NE2 GLN A 102 3.996 -15.904 -6.247 1.00 0.00 N flip ATOM 0 H GLN A 102 -1.145 -16.191 -6.264 1.00 0.00 H new ATOM 0 HA GLN A 102 0.940 -15.239 -8.080 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.345 -17.973 -6.882 1.00 0.00 H new ATOM 0 HB3 GLN A 102 1.750 -17.583 -7.855 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.059 -16.369 -5.157 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.282 -17.589 -5.453 1.00 0.00 H new ATOM 0 HE21 GLN A 102 4.317 -16.864 -6.118 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.670 -15.162 -6.436 1.00 0.00 H new ATOM 1607 N THR A 103 -1.613 -17.074 -8.983 1.00 0.00 N ATOM 1608 CA THR A 103 -2.338 -17.601 -10.131 1.00 0.00 C ATOM 1609 C THR A 103 -3.412 -16.625 -10.598 1.00 0.00 C ATOM 1610 O THR A 103 -3.343 -16.095 -11.707 1.00 0.00 O ATOM 1611 CB THR A 103 -2.997 -18.955 -9.807 1.00 0.00 C ATOM 1612 OG1 THR A 103 -3.971 -18.790 -8.770 1.00 0.00 O ATOM 1613 CG2 THR A 103 -1.955 -19.974 -9.374 1.00 0.00 C ATOM 0 H THR A 103 -2.118 -17.139 -8.099 1.00 0.00 H new ATOM 0 HA THR A 103 -1.608 -17.743 -10.928 1.00 0.00 H new ATOM 0 HB THR A 103 -3.486 -19.321 -10.709 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.866 -18.746 -9.166 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.444 -20.922 -9.151 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.232 -20.119 -10.177 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.441 -19.612 -8.484 1.00 0.00 H new ATOM 1621 N ALA A 104 -4.403 -16.390 -9.745 1.00 0.00 N ATOM 1622 CA ALA A 104 -5.491 -15.475 -10.069 1.00 0.00 C ATOM 1623 C ALA A 104 -4.994 -14.314 -10.924 1.00 0.00 C ATOM 1624 O ALA A 104 -3.901 -13.785 -10.721 1.00 0.00 O ATOM 1625 CB ALA A 104 -6.141 -14.955 -8.796 1.00 0.00 C ATOM 0 H ALA A 104 -4.475 -16.821 -8.823 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.236 -16.024 -10.645 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.951 -14.273 -9.054 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.539 -15.792 -8.223 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.399 -14.427 -8.198 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.814 -13.907 -11.904 1.00 0.00 N ATOM 1632 CA PRO A 105 -5.479 -12.804 -12.810 1.00 0.00 C ATOM 1633 C PRO A 105 -5.489 -11.452 -12.105 1.00 0.00 C ATOM 1634 O PRO A 105 -5.937 -11.322 -10.966 1.00 0.00 O ATOM 1635 CB PRO A 105 -6.584 -12.865 -13.867 1.00 0.00 C ATOM 1636 CG PRO A 105 -7.733 -13.516 -13.178 1.00 0.00 C ATOM 1637 CD PRO A 105 -7.132 -14.491 -12.204 1.00 0.00 C ATOM 0 HA PRO A 105 -4.474 -12.903 -13.219 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.848 -11.869 -14.221 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.268 -13.439 -14.738 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.348 -12.778 -12.663 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.379 -14.026 -13.893 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.742 -14.589 -11.306 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.041 -15.487 -12.637 1.00 0.00 H new ATOM 1645 N PRO A 106 -4.985 -10.419 -12.797 1.00 0.00 N ATOM 1646 CA PRO A 106 -4.927 -9.057 -12.257 1.00 0.00 C ATOM 1647 C PRO A 106 -6.308 -8.424 -12.130 1.00 0.00 C ATOM 1648 O PRO A 106 -7.183 -8.647 -12.967 1.00 0.00 O ATOM 1649 CB PRO A 106 -4.086 -8.302 -13.289 1.00 0.00 C ATOM 1650 CG PRO A 106 -4.274 -9.060 -14.558 1.00 0.00 C ATOM 1651 CD PRO A 106 -4.434 -10.501 -14.160 1.00 0.00 C ATOM 0 HA PRO A 106 -4.511 -9.036 -11.250 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.419 -7.269 -13.392 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -3.036 -8.271 -12.998 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.151 -8.705 -15.098 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.418 -8.931 -15.220 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.106 -11.032 -14.834 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.482 -11.031 -14.177 1.00 0.00 H new ATOM 1659 N TYR A 107 -6.497 -7.635 -11.078 1.00 0.00 N ATOM 1660 CA TYR A 107 -7.773 -6.972 -10.840 1.00 0.00 C ATOM 1661 C TYR A 107 -8.896 -7.992 -10.677 1.00 0.00 C ATOM 1662 O TYR A 107 -10.003 -7.798 -11.178 1.00 0.00 O ATOM 1663 CB TYR A 107 -8.099 -6.018 -11.991 1.00 0.00 C ATOM 1664 CG TYR A 107 -7.059 -4.940 -12.197 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -6.840 -3.965 -11.231 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -6.295 -4.897 -13.356 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -5.891 -2.978 -11.415 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -5.343 -3.914 -13.548 1.00 0.00 C ATOM 1669 CZ TYR A 107 -5.145 -2.957 -12.575 1.00 0.00 C ATOM 1670 OH TYR A 107 -4.198 -1.976 -12.762 1.00 0.00 O ATOM 0 H TYR A 107 -5.783 -7.439 -10.377 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.689 -6.401 -9.916 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -8.201 -6.594 -12.911 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -9.064 -5.548 -11.800 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.422 -3.979 -10.321 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -6.448 -5.645 -14.120 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.734 -2.227 -10.655 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -4.757 -3.895 -14.455 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.761 -2.105 -13.629 1.00 0.00 H new ATOM 1680 N ALA A 108 -8.601 -9.079 -9.971 1.00 0.00 N ATOM 1681 CA ALA A 108 -9.585 -10.129 -9.739 1.00 0.00 C ATOM 1682 C ALA A 108 -10.225 -9.987 -8.362 1.00 0.00 C ATOM 1683 O ALA A 108 -11.448 -9.990 -8.233 1.00 0.00 O ATOM 1684 CB ALA A 108 -8.939 -11.499 -9.884 1.00 0.00 C ATOM 0 H ALA A 108 -7.689 -9.255 -9.550 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.370 -10.029 -10.488 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.685 -12.274 -9.708 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.535 -11.606 -10.891 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -8.133 -11.600 -9.157 1.00 0.00 H new ATOM 1690 N MET A 109 -9.389 -9.863 -7.336 1.00 0.00 N ATOM 1691 CA MET A 109 -9.874 -9.719 -5.968 1.00 0.00 C ATOM 1692 C MET A 109 -9.777 -8.269 -5.507 1.00 0.00 C ATOM 1693 O MET A 109 -9.381 -7.993 -4.375 1.00 0.00 O ATOM 1694 CB MET A 109 -9.077 -10.622 -5.024 1.00 0.00 C ATOM 1695 CG MET A 109 -7.618 -10.219 -4.886 1.00 0.00 C ATOM 1696 SD MET A 109 -6.558 -11.016 -6.107 1.00 0.00 S ATOM 1697 CE MET A 109 -6.337 -12.630 -5.360 1.00 0.00 C ATOM 0 H MET A 109 -8.373 -9.859 -7.426 1.00 0.00 H new ATOM 0 HA MET A 109 -10.922 -10.019 -5.947 1.00 0.00 H new ATOM 0 HB2 MET A 109 -9.544 -10.607 -4.039 1.00 0.00 H new ATOM 0 HB3 MET A 109 -9.129 -11.649 -5.386 1.00 0.00 H new ATOM 0 HG2 MET A 109 -7.533 -9.137 -4.988 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.268 -10.473 -3.886 1.00 0.00 H new ATOM 0 HE1 MET A 109 -6.143 -13.368 -6.139 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.493 -12.599 -4.671 1.00 0.00 H new ATOM 0 HE3 MET A 109 -7.240 -12.906 -4.816 1.00 0.00 H new ATOM 1707 N ASN A 110 -10.141 -7.345 -6.391 1.00 0.00 N ATOM 1708 CA ASN A 110 -10.094 -5.923 -6.073 1.00 0.00 C ATOM 1709 C ASN A 110 -11.319 -5.504 -5.267 1.00 0.00 C ATOM 1710 O ASN A 110 -11.236 -4.639 -4.396 1.00 0.00 O ATOM 1711 CB ASN A 110 -10.007 -5.095 -7.357 1.00 0.00 C ATOM 1712 CG ASN A 110 -11.165 -5.364 -8.298 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -11.109 -6.275 -9.125 1.00 0.00 O ATOM 1714 ND2 ASN A 110 -12.223 -4.571 -8.176 1.00 0.00 N ATOM 0 H ASN A 110 -10.472 -7.556 -7.333 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.205 -5.741 -5.469 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.988 -4.035 -7.102 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -9.069 -5.317 -7.866 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -13.033 -4.704 -8.782 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -12.226 -3.829 -7.477 1.00 0.00 H new ATOM 1721 N SER A 111 -12.456 -6.126 -5.564 1.00 0.00 N ATOM 1722 CA SER A 111 -13.701 -5.816 -4.869 1.00 0.00 C ATOM 1723 C SER A 111 -13.601 -6.175 -3.390 1.00 0.00 C ATOM 1724 O SER A 111 -13.632 -5.301 -2.525 1.00 0.00 O ATOM 1725 CB SER A 111 -14.868 -6.568 -5.511 1.00 0.00 C ATOM 1726 OG SER A 111 -15.218 -5.996 -6.760 1.00 0.00 O ATOM 0 H SER A 111 -12.541 -6.847 -6.281 1.00 0.00 H new ATOM 0 HA SER A 111 -13.879 -4.744 -4.953 1.00 0.00 H new ATOM 0 HB2 SER A 111 -14.598 -7.615 -5.650 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.730 -6.547 -4.844 1.00 0.00 H new ATOM 0 HG SER A 111 -15.965 -6.496 -7.151 1.00 0.00 H new ATOM 1732 N GLU A 112 -13.481 -7.469 -3.109 1.00 0.00 N ATOM 1733 CA GLU A 112 -13.378 -7.945 -1.734 1.00 0.00 C ATOM 1734 C GLU A 112 -12.316 -7.163 -0.966 1.00 0.00 C ATOM 1735 O GLU A 112 -12.591 -6.595 0.091 1.00 0.00 O ATOM 1736 CB GLU A 112 -13.044 -9.438 -1.711 1.00 0.00 C ATOM 1737 CG GLU A 112 -14.114 -10.311 -2.344 1.00 0.00 C ATOM 1738 CD GLU A 112 -15.348 -10.445 -1.473 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -15.195 -10.543 -0.237 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -16.467 -10.452 -2.027 1.00 0.00 O ATOM 0 H GLU A 112 -13.453 -8.206 -3.814 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.342 -7.788 -1.249 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.101 -9.599 -2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.895 -9.752 -0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.398 -9.889 -3.308 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.702 -11.301 -2.538 1.00 0.00 H new ATOM 1747 N PHE A 113 -11.102 -7.139 -1.505 1.00 0.00 N ATOM 1748 CA PHE A 113 -9.998 -6.429 -0.871 1.00 0.00 C ATOM 1749 C PHE A 113 -10.322 -4.946 -0.717 1.00 0.00 C ATOM 1750 O PHE A 113 -10.161 -4.373 0.360 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.716 -6.600 -1.690 1.00 0.00 C ATOM 1752 CG PHE A 113 -7.463 -6.516 -0.866 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -7.241 -7.405 0.174 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -6.507 -5.549 -1.130 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -6.089 -7.332 0.934 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -5.353 -5.471 -0.374 1.00 0.00 C ATOM 1757 CZ PHE A 113 -5.144 -6.362 0.660 1.00 0.00 C ATOM 0 H PHE A 113 -10.858 -7.603 -2.380 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.847 -6.855 0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.744 -7.565 -2.197 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.684 -5.834 -2.465 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -7.977 -8.164 0.393 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.665 -4.848 -1.936 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -5.928 -8.032 1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.615 -4.713 -0.592 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.244 -6.301 1.253 1.00 0.00 H new ATOM 1767 N SER A 114 -10.779 -4.330 -1.803 1.00 0.00 N ATOM 1768 CA SER A 114 -11.123 -2.913 -1.790 1.00 0.00 C ATOM 1769 C SER A 114 -11.866 -2.545 -0.510 1.00 0.00 C ATOM 1770 O SER A 114 -11.517 -1.579 0.168 1.00 0.00 O ATOM 1771 CB SER A 114 -11.978 -2.563 -3.009 1.00 0.00 C ATOM 1772 OG SER A 114 -12.746 -1.395 -2.775 1.00 0.00 O ATOM 0 H SER A 114 -10.919 -4.790 -2.703 1.00 0.00 H new ATOM 0 HA SER A 114 -10.197 -2.340 -1.828 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.336 -2.412 -3.876 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.640 -3.396 -3.244 1.00 0.00 H new ATOM 0 HG SER A 114 -12.148 -0.627 -2.663 1.00 0.00 H new ATOM 1778 N SER A 115 -12.894 -3.323 -0.186 1.00 0.00 N ATOM 1779 CA SER A 115 -13.691 -3.078 1.011 1.00 0.00 C ATOM 1780 C SER A 115 -12.857 -3.287 2.271 1.00 0.00 C ATOM 1781 O SER A 115 -12.885 -2.470 3.191 1.00 0.00 O ATOM 1782 CB SER A 115 -14.911 -4.000 1.034 1.00 0.00 C ATOM 1783 OG SER A 115 -15.917 -3.538 0.150 1.00 0.00 O ATOM 0 H SER A 115 -13.195 -4.128 -0.735 1.00 0.00 H new ATOM 0 HA SER A 115 -14.028 -2.042 0.988 1.00 0.00 H new ATOM 0 HB2 SER A 115 -14.612 -5.010 0.754 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.310 -4.055 2.047 1.00 0.00 H new ATOM 0 HG SER A 115 -16.685 -4.146 0.182 1.00 0.00 H new ATOM 1789 N VAL A 116 -12.114 -4.389 2.305 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.270 -4.707 3.451 1.00 0.00 C ATOM 1791 C VAL A 116 -10.303 -3.568 3.754 1.00 0.00 C ATOM 1792 O VAL A 116 -10.281 -3.035 4.864 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.467 -6.000 3.215 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.548 -6.280 4.394 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.405 -7.172 2.969 1.00 0.00 C ATOM 0 H VAL A 116 -12.079 -5.076 1.552 1.00 0.00 H new ATOM 0 HA VAL A 116 -11.934 -4.852 4.303 1.00 0.00 H new ATOM 0 HB VAL A 116 -9.849 -5.867 2.327 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -8.989 -7.197 4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.853 -5.450 4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -10.143 -6.394 5.300 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -10.821 -8.077 2.804 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -12.051 -7.310 3.836 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -12.017 -6.970 2.090 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.503 -3.199 2.760 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.532 -2.122 2.919 1.00 0.00 C ATOM 1807 C LEU A 117 -9.195 -0.870 3.484 1.00 0.00 C ATOM 1808 O LEU A 117 -8.738 -0.309 4.479 1.00 0.00 O ATOM 1809 CB LEU A 117 -7.872 -1.801 1.576 1.00 0.00 C ATOM 1810 CG LEU A 117 -6.718 -2.714 1.161 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.247 -2.372 -0.244 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.569 -2.606 2.152 1.00 0.00 C ATOM 0 H LEU A 117 -9.507 -3.630 1.835 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.769 -2.456 3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.636 -1.839 0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.504 -0.776 1.611 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.076 -3.744 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.425 -3.032 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.071 -2.502 -0.946 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.907 -1.337 -0.272 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.757 -3.263 1.840 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.212 -1.577 2.184 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -5.914 -2.901 3.143 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.277 -0.439 2.843 1.00 0.00 N ATOM 1825 CA ALA A 118 -11.005 0.744 3.285 1.00 0.00 C ATOM 1826 C ALA A 118 -11.242 0.712 4.791 1.00 0.00 C ATOM 1827 O ALA A 118 -10.935 1.673 5.497 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.329 0.856 2.543 1.00 0.00 C ATOM 0 H ALA A 118 -10.668 -0.891 2.017 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.398 1.620 3.058 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.863 1.744 2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.141 0.933 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.934 -0.029 2.742 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.789 -0.397 5.277 1.00 0.00 N ATOM 1835 CA ALA A 119 -12.065 -0.554 6.699 1.00 0.00 C ATOM 1836 C ALA A 119 -10.798 -0.368 7.528 1.00 0.00 C ATOM 1837 O ALA A 119 -10.829 0.244 8.595 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.680 -1.918 6.971 1.00 0.00 C ATOM 0 H ALA A 119 -12.050 -1.201 4.706 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.777 0.218 6.992 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.881 -2.021 8.037 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.613 -2.014 6.415 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -11.988 -2.699 6.655 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.687 -0.901 7.030 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.410 -0.794 7.726 1.00 0.00 C ATOM 1846 C GLN A 120 -7.956 0.659 7.810 1.00 0.00 C ATOM 1847 O GLN A 120 -7.566 1.138 8.876 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.347 -1.633 7.015 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.361 -3.099 7.416 1.00 0.00 C ATOM 1850 CD GLN A 120 -6.966 -3.313 8.864 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -6.547 -2.379 9.549 1.00 0.00 O ATOM 1852 NE2 GLN A 120 -7.098 -4.546 9.338 1.00 0.00 N ATOM 0 H GLN A 120 -9.645 -1.411 6.148 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.544 -1.172 8.739 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.497 -1.558 5.938 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.363 -1.216 7.229 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.358 -3.507 7.252 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -6.679 -3.654 6.772 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -7.449 -5.289 8.735 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -6.848 -4.750 10.306 1.00 0.00 H new ATOM 1861 N LEU A 121 -8.008 1.357 6.681 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.602 2.757 6.627 1.00 0.00 C ATOM 1863 C LEU A 121 -8.445 3.606 7.573 1.00 0.00 C ATOM 1864 O LEU A 121 -7.927 4.203 8.517 1.00 0.00 O ATOM 1865 CB LEU A 121 -7.725 3.289 5.199 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.485 3.138 4.316 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -6.878 3.084 2.848 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.510 4.279 4.567 1.00 0.00 C ATOM 0 H LEU A 121 -8.327 0.976 5.790 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.561 2.820 6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.557 2.779 4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -7.985 4.346 5.248 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.991 2.201 4.573 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -5.983 2.976 2.235 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.538 2.233 2.679 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.396 4.004 2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.634 4.156 3.931 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -5.994 5.228 4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.203 4.272 5.613 1.00 0.00 H new ATOM 1880 N LYS A 122 -9.747 3.653 7.315 1.00 0.00 N ATOM 1881 CA LYS A 122 -10.664 4.425 8.145 1.00 0.00 C ATOM 1882 C LYS A 122 -10.449 4.120 9.624 1.00 0.00 C ATOM 1883 O LYS A 122 -10.407 5.027 10.455 1.00 0.00 O ATOM 1884 CB LYS A 122 -12.114 4.123 7.757 1.00 0.00 C ATOM 1885 CG LYS A 122 -12.633 4.989 6.623 1.00 0.00 C ATOM 1886 CD LYS A 122 -14.145 4.901 6.501 1.00 0.00 C ATOM 1887 CE LYS A 122 -14.652 5.658 5.283 1.00 0.00 C ATOM 1888 NZ LYS A 122 -14.611 7.132 5.491 1.00 0.00 N ATOM 0 H LYS A 122 -10.191 3.165 6.537 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.462 5.483 7.977 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -12.193 3.075 7.468 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.751 4.262 8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.340 6.025 6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -12.173 4.677 5.686 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.445 3.855 6.431 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -14.608 5.306 7.401 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -14.047 5.397 4.415 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -15.674 5.350 5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -15.360 7.583 4.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -14.759 7.345 6.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -13.685 7.499 5.192 1.00 0.00 H new ATOM 1902 N HIS A 123 -10.311 2.838 9.945 1.00 0.00 N ATOM 1903 CA HIS A 123 -10.097 2.414 11.324 1.00 0.00 C ATOM 1904 C HIS A 123 -8.863 3.088 11.915 1.00 0.00 C ATOM 1905 O HIS A 123 -8.934 3.724 12.967 1.00 0.00 O ATOM 1906 CB HIS A 123 -9.945 0.894 11.394 1.00 0.00 C ATOM 1907 CG HIS A 123 -9.502 0.398 12.736 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -10.367 0.215 13.794 1.00 0.00 N ATOM 1909 CD2 HIS A 123 -8.276 0.045 13.189 1.00 0.00 C ATOM 1910 CE1 HIS A 123 -9.692 -0.228 14.840 1.00 0.00 C ATOM 1911 NE2 HIS A 123 -8.421 -0.340 14.499 1.00 0.00 N ATOM 0 H HIS A 123 -10.343 2.075 9.269 1.00 0.00 H new ATOM 0 HA HIS A 123 -10.967 2.713 11.909 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -10.898 0.430 11.141 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -9.224 0.574 10.641 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -7.355 0.063 12.625 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -10.109 -0.459 15.809 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -7.669 -0.660 15.110 1.00 0.00 H new ATOM 1920 N HIS A 124 -7.732 2.946 11.231 1.00 0.00 N ATOM 1921 CA HIS A 124 -6.482 3.542 11.688 1.00 0.00 C ATOM 1922 C HIS A 124 -6.547 5.064 11.617 1.00 0.00 C ATOM 1923 O HIS A 124 -6.510 5.746 12.641 1.00 0.00 O ATOM 1924 CB HIS A 124 -5.311 3.030 10.848 1.00 0.00 C ATOM 1925 CG HIS A 124 -4.862 1.651 11.223 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -4.184 1.372 12.391 1.00 0.00 N ATOM 1927 CD2 HIS A 124 -4.999 0.469 10.578 1.00 0.00 C ATOM 1928 CE1 HIS A 124 -3.922 0.079 12.447 1.00 0.00 C ATOM 1929 NE2 HIS A 124 -4.407 -0.492 11.359 1.00 0.00 N ATOM 0 H HIS A 124 -7.656 2.423 10.358 1.00 0.00 H new ATOM 0 HA HIS A 124 -6.329 3.251 12.727 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.599 3.036 9.797 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -4.472 3.717 10.953 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -5.484 0.311 9.626 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.400 -0.426 13.246 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -4.351 -1.486 11.136 1.00 0.00 H new ATOM 1938 N SER A 125 -6.645 5.591 10.400 1.00 0.00 N ATOM 1939 CA SER A 125 -6.711 7.033 10.195 1.00 0.00 C ATOM 1940 C SER A 125 -7.767 7.663 11.099 1.00 0.00 C ATOM 1941 O SER A 125 -7.516 8.673 11.755 1.00 0.00 O ATOM 1942 CB SER A 125 -7.023 7.348 8.731 1.00 0.00 C ATOM 1943 OG SER A 125 -8.292 6.839 8.359 1.00 0.00 O ATOM 0 H SER A 125 -6.680 5.041 9.542 1.00 0.00 H new ATOM 0 HA SER A 125 -5.740 7.456 10.451 1.00 0.00 H new ATOM 0 HB2 SER A 125 -7.000 8.427 8.575 1.00 0.00 H new ATOM 0 HB3 SER A 125 -6.253 6.917 8.091 1.00 0.00 H new ATOM 0 HG SER A 125 -8.339 5.885 8.578 1.00 0.00 H new ATOM 1949 N SER A 126 -8.950 7.058 11.126 1.00 0.00 N ATOM 1950 CA SER A 126 -10.047 7.560 11.945 1.00 0.00 C ATOM 1951 C SER A 126 -10.441 8.971 11.520 1.00 0.00 C ATOM 1952 O SER A 126 -10.611 9.858 12.355 1.00 0.00 O ATOM 1953 CB SER A 126 -9.652 7.552 13.423 1.00 0.00 C ATOM 1954 OG SER A 126 -10.770 7.824 14.251 1.00 0.00 O ATOM 0 H SER A 126 -9.173 6.219 10.590 1.00 0.00 H new ATOM 0 HA SER A 126 -10.905 6.903 11.801 1.00 0.00 H new ATOM 0 HB2 SER A 126 -9.229 6.582 13.684 1.00 0.00 H new ATOM 0 HB3 SER A 126 -8.875 8.296 13.599 1.00 0.00 H new ATOM 0 HG SER A 126 -11.126 8.712 14.038 1.00 0.00 H new ATOM 1960 N GLY A 127 -10.584 9.170 10.213 1.00 0.00 N ATOM 1961 CA GLY A 127 -10.956 10.475 9.698 1.00 0.00 C ATOM 1962 C GLY A 127 -9.757 11.284 9.248 1.00 0.00 C ATOM 1963 O GLY A 127 -9.108 11.967 10.041 1.00 0.00 O ATOM 0 H GLY A 127 -10.449 8.451 9.502 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -11.641 10.349 8.859 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -11.494 11.027 10.469 1.00 0.00 H new ATOM 1967 N PRO A 128 -9.445 11.213 7.945 1.00 0.00 N ATOM 1968 CA PRO A 128 -8.312 11.938 7.362 1.00 0.00 C ATOM 1969 C PRO A 128 -8.546 13.445 7.324 1.00 0.00 C ATOM 1970 O PRO A 128 -9.687 13.905 7.270 1.00 0.00 O ATOM 1971 CB PRO A 128 -8.225 11.375 5.941 1.00 0.00 C ATOM 1972 CG PRO A 128 -9.603 10.900 5.636 1.00 0.00 C ATOM 1973 CD PRO A 128 -10.174 10.420 6.942 1.00 0.00 C ATOM 0 HA PRO A 128 -7.400 11.806 7.945 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -7.903 12.138 5.232 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -7.503 10.560 5.882 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -10.209 11.703 5.217 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -9.585 10.097 4.899 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -11.249 10.592 6.998 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -10.014 9.351 7.082 1.00 0.00 H new ATOM 1981 N SER A 129 -7.459 14.209 7.352 1.00 0.00 N ATOM 1982 CA SER A 129 -7.546 15.664 7.324 1.00 0.00 C ATOM 1983 C SER A 129 -6.370 16.264 6.559 1.00 0.00 C ATOM 1984 O SER A 129 -5.227 15.834 6.718 1.00 0.00 O ATOM 1985 CB SER A 129 -7.580 16.221 8.748 1.00 0.00 C ATOM 1986 OG SER A 129 -8.728 15.769 9.445 1.00 0.00 O ATOM 0 H SER A 129 -6.507 13.844 7.394 1.00 0.00 H new ATOM 0 HA SER A 129 -8.468 15.939 6.812 1.00 0.00 H new ATOM 0 HB2 SER A 129 -6.681 15.914 9.283 1.00 0.00 H new ATOM 0 HB3 SER A 129 -7.576 17.311 8.716 1.00 0.00 H new ATOM 0 HG SER A 129 -8.726 16.138 10.353 1.00 0.00 H new ATOM 1992 N SER A 130 -6.659 17.261 5.729 1.00 0.00 N ATOM 1993 CA SER A 130 -5.627 17.919 4.936 1.00 0.00 C ATOM 1994 C SER A 130 -4.845 18.918 5.783 1.00 0.00 C ATOM 1995 O SER A 130 -3.619 18.986 5.710 1.00 0.00 O ATOM 1996 CB SER A 130 -6.253 18.631 3.735 1.00 0.00 C ATOM 1997 OG SER A 130 -6.963 19.788 4.142 1.00 0.00 O ATOM 0 H SER A 130 -7.599 17.631 5.588 1.00 0.00 H new ATOM 0 HA SER A 130 -4.937 17.155 4.577 1.00 0.00 H new ATOM 0 HB2 SER A 130 -5.473 18.909 3.026 1.00 0.00 H new ATOM 0 HB3 SER A 130 -6.928 17.950 3.216 1.00 0.00 H new ATOM 0 HG SER A 130 -7.352 20.226 3.357 1.00 0.00 H new ATOM 2003 N GLY A 131 -5.566 19.694 6.588 1.00 0.00 N ATOM 2004 CA GLY A 131 -4.924 20.679 7.438 1.00 0.00 C ATOM 2005 C GLY A 131 -5.164 20.418 8.912 1.00 0.00 C ATOM 2006 O GLY A 131 -4.413 20.893 9.764 1.00 0.00 O ATOM 0 H GLY A 131 -6.582 19.658 6.666 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -3.852 20.680 7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -5.295 21.672 7.183 1.00 0.00 H new TER 2010 GLY A 131