USER MOD reduce.3.24.130724 H: found=0, std=0, add=962, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 962 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 49 SER OG : rot 30:sc= 0.799 USER MOD Set 1.2: A 80 THR OG1 : rot 64:sc= 0.262 USER MOD Set 2.1: A 53 SER OG : rot 150:sc= 0.136 USER MOD Set 2.2: A 102 GLN : amide:sc= 0.433 K(o=0.57,f=-0.13) USER MOD Set 3.1: A 40 LYS NZ :NH3+ -125:sc= 0.249 (180deg=-0.697) USER MOD Set 3.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 82 TYR OH : rot 110:sc= -0.0772 USER MOD Set 4.1: A 28 GLN : amide:sc= -0.89 K(o=-1,f=-6.2!) USER MOD Set 4.2: A 38 MET CE :methyl -161:sc= -0.107 (180deg=-0.569) USER MOD Set 5.1: A 11 MET CE :methyl 149:sc= -1.39 (180deg=-3.75!) USER MOD Set 5.2: A 18 GLN : amide:sc= 0.335 K(o=-1.1,f=-4.5!) USER MOD Set 6.1: A 2 THR OG1 : rot -21:sc= 0.766 USER MOD Set 6.2: A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -174:sc= -3.21! (180deg=-3.32!) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.031 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 67:sc= 1.11 USER MOD Single : A 13 LYS NZ :NH3+ 154:sc= 1.32 (180deg=0.439) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS :FLIP no HE2:sc= 0.495 F(o=-1.8!,f=0.5) USER MOD Single : A 22 ASN : amide:sc= -0.0338 X(o=-0.034,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0316) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 30 LYS NZ :NH3+ 177:sc= 0.762 (180deg=0.759) USER MOD Single : A 44 ASN :FLIP amide:sc= -0.0204 F(o=-1.2!,f=-0.02) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -77:sc= 1.23 USER MOD Single : A 62 GLN : amide:sc= -0.0888 X(o=-0.089,f=-0.03) USER MOD Single : A 63 GLN : amide:sc= 1.11 K(o=1.1,f=-0.0036) USER MOD Single : A 64 HIS : no HE2:sc= 0.0416 K(o=0.042,f=-0.7) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0579 X(o=-0.058,f=-0.0066) USER MOD Single : A 74 ASN :FLIP amide:sc= -2.72! C(o=-3.9!,f=-2.7!) USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= -0.0124 (180deg=-0.0888) USER MOD Single : A 77 HIS : no HD1:sc=-0.00138 X(o=-0.0014,f=-0.29) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -78:sc= 0.991 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.276 K(o=-0.28,f=-0.83) USER MOD Single : A 93 TYR OH : rot 83:sc= 0.915 USER MOD Single : A 94 TYR OH : rot -115:sc= 1.27 USER MOD Single : A 99 SER OG : rot 28:sc= 0.671 USER MOD Single : A 100 TYR OH : rot -14:sc= 0.153 USER MOD Single : A 101 GLN :FLIP amide:sc= -0.117 F(o=-1.3!,f=-0.12) USER MOD Single : A 105 ASN : amide:sc= 0.96 K(o=0.96,f=0) USER MOD Single : A 111 LYS NZ :NH3+ -145:sc= 1.19 (180deg=1.12) USER MOD Single : A 113 LYS NZ :NH3+ -130:sc= 0.471 (180deg=0.343) USER MOD Single : A 117 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.087) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.325 -12.545 10.270 1.00 0.00 N ATOM 2 CA MET A 1 -3.251 -11.421 9.998 1.00 0.00 C ATOM 3 C MET A 1 -3.217 -11.070 8.515 1.00 0.00 C ATOM 4 O MET A 1 -2.166 -11.142 7.878 1.00 0.00 O ATOM 5 CB MET A 1 -2.857 -10.203 10.838 1.00 0.00 C ATOM 6 CG MET A 1 -3.835 -9.045 10.730 1.00 0.00 C ATOM 7 SD MET A 1 -3.330 -7.615 11.707 1.00 0.00 S ATOM 8 CE MET A 1 -1.809 -7.163 10.879 1.00 0.00 C ATOM 0 H1 MET A 1 -1.733 -12.315 11.093 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.873 -13.406 10.467 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.718 -12.703 9.440 1.00 0.00 H new ATOM 0 HA MET A 1 -4.264 -11.720 10.267 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.777 -10.504 11.883 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.869 -9.863 10.528 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.930 -8.751 9.685 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.820 -9.375 11.059 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.319 -6.360 11.430 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.148 -8.028 10.834 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.032 -6.825 9.867 1.00 0.00 H new ATOM 20 N THR A 2 -4.363 -10.690 7.969 1.00 0.00 N ATOM 21 CA THR A 2 -4.470 -10.400 6.548 1.00 0.00 C ATOM 22 C THR A 2 -4.750 -8.921 6.309 1.00 0.00 C ATOM 23 O THR A 2 -4.826 -8.126 7.248 1.00 0.00 O ATOM 24 CB THR A 2 -5.590 -11.235 5.890 1.00 0.00 C ATOM 25 OG1 THR A 2 -6.847 -10.962 6.523 1.00 0.00 O ATOM 26 CG2 THR A 2 -5.284 -12.724 5.975 1.00 0.00 C ATOM 0 H THR A 2 -5.232 -10.575 8.490 1.00 0.00 H new ATOM 0 HA THR A 2 -3.514 -10.664 6.097 1.00 0.00 H new ATOM 0 HB THR A 2 -5.646 -10.954 4.838 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.690 -10.594 7.417 1.00 0.00 H new ATOM 0 HG21 THR A 2 -6.089 -13.288 5.504 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.346 -12.933 5.461 1.00 0.00 H new ATOM 0 HG23 THR A 2 -5.198 -13.019 7.021 1.00 0.00 H new ATOM 34 N ILE A 3 -4.913 -8.565 5.042 1.00 0.00 N ATOM 35 CA ILE A 3 -5.235 -7.200 4.660 1.00 0.00 C ATOM 36 C ILE A 3 -6.652 -6.843 5.109 1.00 0.00 C ATOM 37 O ILE A 3 -6.962 -5.678 5.335 1.00 0.00 O ATOM 38 CB ILE A 3 -5.093 -7.014 3.129 1.00 0.00 C ATOM 39 CG1 ILE A 3 -3.648 -7.286 2.691 1.00 0.00 C ATOM 40 CG2 ILE A 3 -5.519 -5.615 2.700 1.00 0.00 C ATOM 41 CD1 ILE A 3 -2.635 -6.339 3.300 1.00 0.00 C ATOM 0 H ILE A 3 -4.826 -9.210 4.257 1.00 0.00 H new ATOM 0 HA ILE A 3 -4.532 -6.530 5.155 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.753 -7.732 2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.383 -8.308 2.960 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.589 -7.217 1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.408 -5.516 1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -6.561 -5.452 2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.893 -4.875 3.199 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.637 -6.595 2.943 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.873 -5.316 3.010 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.664 -6.424 4.386 1.00 0.00 H new ATOM 53 N SER A 4 -7.490 -7.863 5.282 1.00 0.00 N ATOM 54 CA SER A 4 -8.881 -7.671 5.689 1.00 0.00 C ATOM 55 C SER A 4 -8.973 -6.916 7.016 1.00 0.00 C ATOM 56 O SER A 4 -9.889 -6.118 7.224 1.00 0.00 O ATOM 57 CB SER A 4 -9.577 -9.027 5.805 1.00 0.00 C ATOM 58 OG SER A 4 -9.459 -9.760 4.596 1.00 0.00 O ATOM 0 H SER A 4 -7.227 -8.839 5.145 1.00 0.00 H new ATOM 0 HA SER A 4 -9.380 -7.071 4.928 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.139 -9.596 6.625 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.630 -8.881 6.045 1.00 0.00 H new ATOM 0 HG SER A 4 -9.910 -10.625 4.693 1.00 0.00 H new ATOM 64 N GLU A 5 -8.014 -7.161 7.901 1.00 0.00 N ATOM 65 CA GLU A 5 -7.961 -6.477 9.186 1.00 0.00 C ATOM 66 C GLU A 5 -7.495 -5.036 8.997 1.00 0.00 C ATOM 67 O GLU A 5 -7.972 -4.117 9.663 1.00 0.00 O ATOM 68 CB GLU A 5 -7.022 -7.207 10.158 1.00 0.00 C ATOM 69 CG GLU A 5 -7.545 -8.548 10.663 1.00 0.00 C ATOM 70 CD GLU A 5 -7.678 -9.592 9.572 1.00 0.00 C ATOM 71 OE1 GLU A 5 -6.662 -10.229 9.217 1.00 0.00 O ATOM 72 OE2 GLU A 5 -8.799 -9.782 9.064 1.00 0.00 O ATOM 0 H GLU A 5 -7.260 -7.831 7.751 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.965 -6.476 9.611 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.064 -7.369 9.664 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.833 -6.560 11.015 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.874 -8.924 11.435 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.517 -8.397 11.132 1.00 0.00 H new ATOM 79 N LEU A 6 -6.575 -4.850 8.063 1.00 0.00 N ATOM 80 CA LEU A 6 -6.019 -3.540 7.780 1.00 0.00 C ATOM 81 C LEU A 6 -7.023 -2.666 7.048 1.00 0.00 C ATOM 82 O LEU A 6 -7.035 -1.449 7.221 1.00 0.00 O ATOM 83 CB LEU A 6 -4.740 -3.677 6.955 1.00 0.00 C ATOM 84 CG LEU A 6 -3.434 -3.629 7.755 1.00 0.00 C ATOM 85 CD1 LEU A 6 -3.277 -2.281 8.443 1.00 0.00 C ATOM 86 CD2 LEU A 6 -3.387 -4.756 8.776 1.00 0.00 C ATOM 0 H LEU A 6 -6.196 -5.599 7.484 1.00 0.00 H new ATOM 0 HA LEU A 6 -5.781 -3.061 8.730 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.778 -4.620 6.410 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.720 -2.880 6.211 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.604 -3.761 7.061 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.344 -2.266 9.006 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.261 -1.490 7.694 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.114 -2.120 9.123 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.452 -4.704 9.333 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.226 -4.658 9.465 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.450 -5.715 8.262 1.00 0.00 H new ATOM 98 N LEU A 7 -7.868 -3.295 6.240 1.00 0.00 N ATOM 99 CA LEU A 7 -8.894 -2.586 5.486 1.00 0.00 C ATOM 100 C LEU A 7 -9.779 -1.754 6.406 1.00 0.00 C ATOM 101 O LEU A 7 -10.056 -0.588 6.125 1.00 0.00 O ATOM 102 CB LEU A 7 -9.756 -3.571 4.690 1.00 0.00 C ATOM 103 CG LEU A 7 -9.032 -4.314 3.563 1.00 0.00 C ATOM 104 CD1 LEU A 7 -9.972 -5.291 2.874 1.00 0.00 C ATOM 105 CD2 LEU A 7 -8.457 -3.329 2.558 1.00 0.00 C ATOM 0 H LEU A 7 -7.862 -4.304 6.090 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.388 -1.914 4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.169 -4.306 5.380 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.598 -3.027 4.262 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.209 -4.880 4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -9.438 -5.808 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -10.336 -6.019 3.599 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -10.817 -4.747 2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.946 -3.875 1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.264 -2.735 2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.748 -2.670 3.059 1.00 0.00 H new ATOM 117 N GLN A 8 -10.208 -2.344 7.517 1.00 0.00 N ATOM 118 CA GLN A 8 -11.054 -1.634 8.467 1.00 0.00 C ATOM 119 C GLN A 8 -10.263 -0.541 9.180 1.00 0.00 C ATOM 120 O GLN A 8 -10.796 0.527 9.478 1.00 0.00 O ATOM 121 CB GLN A 8 -11.675 -2.596 9.486 1.00 0.00 C ATOM 122 CG GLN A 8 -12.546 -1.893 10.520 1.00 0.00 C ATOM 123 CD GLN A 8 -13.308 -2.851 11.414 1.00 0.00 C ATOM 124 OE1 GLN A 8 -12.868 -3.968 11.679 1.00 0.00 O ATOM 125 NE2 GLN A 8 -14.463 -2.413 11.888 1.00 0.00 N ATOM 0 H GLN A 8 -9.986 -3.304 7.780 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.865 -1.168 7.906 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.275 -3.337 8.958 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.879 -3.137 9.998 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.918 -1.252 11.138 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.255 -1.244 10.006 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -14.793 -1.479 11.644 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -15.023 -3.009 12.497 1.00 0.00 H new ATOM 134 N TYR A 9 -8.984 -0.793 9.428 1.00 0.00 N ATOM 135 CA TYR A 9 -8.142 0.192 10.092 1.00 0.00 C ATOM 136 C TYR A 9 -7.891 1.381 9.169 1.00 0.00 C ATOM 137 O TYR A 9 -7.747 2.512 9.630 1.00 0.00 O ATOM 138 CB TYR A 9 -6.815 -0.418 10.549 1.00 0.00 C ATOM 139 CG TYR A 9 -6.083 0.459 11.543 1.00 0.00 C ATOM 140 CD1 TYR A 9 -6.538 0.576 12.849 1.00 0.00 C ATOM 141 CD2 TYR A 9 -4.954 1.179 11.174 1.00 0.00 C ATOM 142 CE1 TYR A 9 -5.893 1.388 13.761 1.00 0.00 C ATOM 143 CE2 TYR A 9 -4.299 1.990 12.081 1.00 0.00 C ATOM 144 CZ TYR A 9 -4.774 2.091 13.374 1.00 0.00 C ATOM 145 OH TYR A 9 -4.134 2.908 14.282 1.00 0.00 O ATOM 0 H TYR A 9 -8.511 -1.663 9.182 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.671 0.537 10.981 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -7.003 -1.393 11.000 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -6.178 -0.586 9.680 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.412 0.022 13.158 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.582 1.104 10.163 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.264 1.471 14.772 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.421 2.542 11.781 1.00 0.00 H new ATOM 0 HH TYR A 9 -3.362 3.332 13.853 1.00 0.00 H new ATOM 155 N CYS A 10 -7.844 1.119 7.866 1.00 0.00 N ATOM 156 CA CYS A 10 -7.685 2.178 6.877 1.00 0.00 C ATOM 157 C CYS A 10 -8.920 3.076 6.850 1.00 0.00 C ATOM 158 O CYS A 10 -8.863 4.206 6.376 1.00 0.00 O ATOM 159 CB CYS A 10 -7.443 1.585 5.487 1.00 0.00 C ATOM 160 SG CYS A 10 -5.956 0.567 5.365 1.00 0.00 S ATOM 0 H CYS A 10 -7.914 0.181 7.471 1.00 0.00 H new ATOM 0 HA CYS A 10 -6.819 2.777 7.159 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -8.307 0.982 5.206 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -7.373 2.398 4.764 1.00 0.00 H new ATOM 0 HG CYS A 10 -6.106 -0.508 6.080 1.00 0.00 H new ATOM 166 N MET A 11 -10.032 2.572 7.377 1.00 0.00 N ATOM 167 CA MET A 11 -11.262 3.352 7.454 1.00 0.00 C ATOM 168 C MET A 11 -11.187 4.322 8.629 1.00 0.00 C ATOM 169 O MET A 11 -12.016 5.220 8.767 1.00 0.00 O ATOM 170 CB MET A 11 -12.478 2.432 7.606 1.00 0.00 C ATOM 171 CG MET A 11 -12.612 1.371 6.519 1.00 0.00 C ATOM 172 SD MET A 11 -13.425 1.954 5.008 1.00 0.00 S ATOM 173 CE MET A 11 -12.208 3.080 4.326 1.00 0.00 C ATOM 0 H MET A 11 -10.106 1.628 7.756 1.00 0.00 H new ATOM 0 HA MET A 11 -11.374 3.918 6.529 1.00 0.00 H new ATOM 0 HB2 MET A 11 -12.423 1.936 8.575 1.00 0.00 H new ATOM 0 HB3 MET A 11 -13.381 3.043 7.612 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.619 1.001 6.264 1.00 0.00 H new ATOM 0 HG3 MET A 11 -13.174 0.527 6.918 1.00 0.00 H new ATOM 0 HE1 MET A 11 -12.280 3.078 3.238 1.00 0.00 H new ATOM 0 HE2 MET A 11 -12.394 4.087 4.700 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.209 2.761 4.624 1.00 0.00 H new ATOM 183 N ALA A 12 -10.184 4.121 9.482 1.00 0.00 N ATOM 184 CA ALA A 12 -9.914 5.032 10.583 1.00 0.00 C ATOM 185 C ALA A 12 -8.873 6.058 10.152 1.00 0.00 C ATOM 186 O ALA A 12 -8.507 6.954 10.911 1.00 0.00 O ATOM 187 CB ALA A 12 -9.442 4.266 11.814 1.00 0.00 C ATOM 0 H ALA A 12 -9.544 3.329 9.427 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.835 5.552 10.848 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.246 4.967 12.625 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.214 3.561 12.122 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.528 3.722 11.576 1.00 0.00 H new ATOM 193 N LYS A 13 -8.398 5.902 8.920 1.00 0.00 N ATOM 194 CA LYS A 13 -7.467 6.846 8.323 1.00 0.00 C ATOM 195 C LYS A 13 -8.234 7.804 7.421 1.00 0.00 C ATOM 196 O LYS A 13 -8.680 7.423 6.334 1.00 0.00 O ATOM 197 CB LYS A 13 -6.395 6.102 7.517 1.00 0.00 C ATOM 198 CG LYS A 13 -5.508 5.188 8.356 1.00 0.00 C ATOM 199 CD LYS A 13 -4.502 5.971 9.189 1.00 0.00 C ATOM 200 CE LYS A 13 -3.640 5.046 10.038 1.00 0.00 C ATOM 201 NZ LYS A 13 -2.522 5.771 10.697 1.00 0.00 N ATOM 0 H LYS A 13 -8.647 5.121 8.313 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.970 7.410 9.112 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.883 5.508 6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.767 6.832 7.007 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.132 4.584 9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.976 4.498 7.700 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.865 6.562 8.531 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.030 6.672 9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.260 4.569 10.797 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.236 4.251 9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.243 5.266 11.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.711 5.821 10.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.829 6.734 10.942 1.00 0.00 H new ATOM 215 N PRO A 14 -8.414 9.053 7.867 1.00 0.00 N ATOM 216 CA PRO A 14 -9.222 10.043 7.149 1.00 0.00 C ATOM 217 C PRO A 14 -8.731 10.297 5.725 1.00 0.00 C ATOM 218 O PRO A 14 -7.607 10.748 5.514 1.00 0.00 O ATOM 219 CB PRO A 14 -9.089 11.316 7.996 1.00 0.00 C ATOM 220 CG PRO A 14 -7.901 11.090 8.868 1.00 0.00 C ATOM 221 CD PRO A 14 -7.833 9.608 9.101 1.00 0.00 C ATOM 0 HA PRO A 14 -10.250 9.700 7.032 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.952 12.195 7.366 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.986 11.487 8.591 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.991 11.452 8.389 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.001 11.629 9.810 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.808 9.270 9.252 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.400 9.311 9.983 1.00 0.00 H new ATOM 229 N GLY A 15 -9.578 9.988 4.754 1.00 0.00 N ATOM 230 CA GLY A 15 -9.255 10.278 3.372 1.00 0.00 C ATOM 231 C GLY A 15 -9.109 9.032 2.523 1.00 0.00 C ATOM 232 O GLY A 15 -9.241 9.092 1.302 1.00 0.00 O ATOM 0 H GLY A 15 -10.484 9.541 4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.035 10.910 2.948 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.326 10.848 3.334 1.00 0.00 H new ATOM 236 N ALA A 16 -8.841 7.903 3.165 1.00 0.00 N ATOM 237 CA ALA A 16 -8.627 6.654 2.445 1.00 0.00 C ATOM 238 C ALA A 16 -9.949 5.971 2.107 1.00 0.00 C ATOM 239 O ALA A 16 -10.733 5.638 2.997 1.00 0.00 O ATOM 240 CB ALA A 16 -7.742 5.722 3.258 1.00 0.00 C ATOM 0 H ALA A 16 -8.767 7.826 4.179 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.126 6.891 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.590 4.793 2.708 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.778 6.199 3.437 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.222 5.505 4.212 1.00 0.00 H new ATOM 246 N GLU A 17 -10.191 5.777 0.818 1.00 0.00 N ATOM 247 CA GLU A 17 -11.371 5.067 0.348 1.00 0.00 C ATOM 248 C GLU A 17 -10.935 3.809 -0.404 1.00 0.00 C ATOM 249 O GLU A 17 -9.843 3.764 -0.977 1.00 0.00 O ATOM 250 CB GLU A 17 -12.213 5.974 -0.557 1.00 0.00 C ATOM 251 CG GLU A 17 -13.700 5.977 -0.219 1.00 0.00 C ATOM 252 CD GLU A 17 -14.348 4.614 -0.368 1.00 0.00 C ATOM 253 OE1 GLU A 17 -14.821 4.294 -1.478 1.00 0.00 O ATOM 254 OE2 GLU A 17 -14.397 3.858 0.626 1.00 0.00 O ATOM 0 H GLU A 17 -9.578 6.106 0.072 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.985 4.778 1.201 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.833 6.993 -0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.086 5.656 -1.592 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.833 6.325 0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.212 6.689 -0.867 1.00 0.00 H new ATOM 261 N GLN A 18 -11.783 2.793 -0.398 1.00 0.00 N ATOM 262 CA GLN A 18 -11.436 1.507 -0.982 1.00 0.00 C ATOM 263 C GLN A 18 -12.425 1.105 -2.069 1.00 0.00 C ATOM 264 O GLN A 18 -13.639 1.187 -1.880 1.00 0.00 O ATOM 265 CB GLN A 18 -11.404 0.445 0.113 1.00 0.00 C ATOM 266 CG GLN A 18 -10.344 0.707 1.169 1.00 0.00 C ATOM 267 CD GLN A 18 -10.533 -0.128 2.417 1.00 0.00 C ATOM 268 OE1 GLN A 18 -11.056 -1.239 2.369 1.00 0.00 O ATOM 269 NE2 GLN A 18 -10.103 0.408 3.547 1.00 0.00 N ATOM 0 H GLN A 18 -12.719 2.834 0.006 1.00 0.00 H new ATOM 0 HA GLN A 18 -10.452 1.593 -1.443 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.382 0.397 0.593 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.223 -0.530 -0.340 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.360 0.502 0.747 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.361 1.763 1.439 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.675 1.334 3.542 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -10.200 -0.104 4.424 1.00 0.00 H new ATOM 278 N SER A 19 -11.900 0.680 -3.211 1.00 0.00 N ATOM 279 CA SER A 19 -12.732 0.228 -4.314 1.00 0.00 C ATOM 280 C SER A 19 -12.090 -0.966 -5.020 1.00 0.00 C ATOM 281 O SER A 19 -10.913 -0.924 -5.385 1.00 0.00 O ATOM 282 CB SER A 19 -12.951 1.367 -5.311 1.00 0.00 C ATOM 283 OG SER A 19 -13.529 2.501 -4.678 1.00 0.00 O ATOM 0 H SER A 19 -10.898 0.640 -3.396 1.00 0.00 H new ATOM 0 HA SER A 19 -13.696 -0.083 -3.911 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.999 1.646 -5.763 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.600 1.027 -6.118 1.00 0.00 H new ATOM 0 HG SER A 19 -13.657 3.214 -5.338 1.00 0.00 H new ATOM 289 N VAL A 20 -12.860 -2.032 -5.187 1.00 0.00 N ATOM 290 CA VAL A 20 -12.400 -3.201 -5.926 1.00 0.00 C ATOM 291 C VAL A 20 -12.796 -3.069 -7.393 1.00 0.00 C ATOM 292 O VAL A 20 -13.946 -2.762 -7.709 1.00 0.00 O ATOM 293 CB VAL A 20 -12.967 -4.516 -5.333 1.00 0.00 C ATOM 294 CG1 VAL A 20 -14.483 -4.457 -5.207 1.00 0.00 C ATOM 295 CG2 VAL A 20 -12.552 -5.716 -6.175 1.00 0.00 C ATOM 0 H VAL A 20 -13.808 -2.112 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.314 -3.247 -5.843 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.548 -4.633 -4.334 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -14.850 -5.394 -4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -14.762 -3.632 -4.551 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -14.924 -4.302 -6.192 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -12.962 -6.626 -5.738 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -12.932 -5.597 -7.190 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.464 -5.784 -6.200 1.00 0.00 H new ATOM 305 N HIS A 21 -11.847 -3.276 -8.288 1.00 0.00 N ATOM 306 CA HIS A 21 -12.097 -3.070 -9.706 1.00 0.00 C ATOM 307 C HIS A 21 -11.969 -4.391 -10.461 1.00 0.00 C ATOM 308 O HIS A 21 -11.392 -5.349 -9.946 1.00 0.00 O ATOM 309 CB HIS A 21 -11.124 -2.023 -10.260 1.00 0.00 C ATOM 310 CG HIS A 21 -11.676 -1.222 -11.402 1.00 0.00 C ATOM 311 ND1 HIS A 21 -11.305 -1.151 -12.702 1.00 0.00 N flip ATOM 312 CD2 HIS A 21 -12.735 -0.352 -11.264 1.00 0.00 C flip ATOM 313 CE1 HIS A 21 -12.134 -0.249 -13.316 1.00 0.00 C flip ATOM 314 NE2 HIS A 21 -12.990 0.217 -12.428 1.00 0.00 N flip ATOM 0 H HIS A 21 -10.901 -3.585 -8.062 1.00 0.00 H new ATOM 0 HA HIS A 21 -13.113 -2.700 -9.842 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -10.841 -1.343 -9.456 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -10.214 -2.525 -10.588 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -10.548 -1.673 -13.143 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -13.273 -0.164 -10.347 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.093 0.034 -14.357 1.00 0.00 H new ATOM 323 N ASN A 22 -12.513 -4.434 -11.675 1.00 0.00 N ATOM 324 CA ASN A 22 -12.516 -5.652 -12.492 1.00 0.00 C ATOM 325 C ASN A 22 -11.103 -6.171 -12.751 1.00 0.00 C ATOM 326 O ASN A 22 -10.911 -7.365 -12.982 1.00 0.00 O ATOM 327 CB ASN A 22 -13.231 -5.405 -13.827 1.00 0.00 C ATOM 328 CG ASN A 22 -12.504 -4.422 -14.724 1.00 0.00 C ATOM 329 OD1 ASN A 22 -12.707 -3.212 -14.633 1.00 0.00 O ATOM 330 ND2 ASN A 22 -11.660 -4.937 -15.606 1.00 0.00 N ATOM 0 H ASN A 22 -12.962 -3.634 -12.120 1.00 0.00 H new ATOM 0 HA ASN A 22 -13.055 -6.413 -11.928 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -13.341 -6.353 -14.353 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -14.236 -5.031 -13.629 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.150 -4.324 -16.242 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -11.520 -5.946 -15.649 1.00 0.00 H new ATOM 337 N ASP A 23 -10.120 -5.277 -12.713 1.00 0.00 N ATOM 338 CA ASP A 23 -8.733 -5.656 -12.965 1.00 0.00 C ATOM 339 C ASP A 23 -8.213 -6.565 -11.864 1.00 0.00 C ATOM 340 O ASP A 23 -7.888 -6.100 -10.769 1.00 0.00 O ATOM 341 CB ASP A 23 -7.831 -4.424 -13.066 1.00 0.00 C ATOM 342 CG ASP A 23 -8.215 -3.497 -14.194 1.00 0.00 C ATOM 343 OD1 ASP A 23 -7.799 -3.738 -15.346 1.00 0.00 O ATOM 344 OD2 ASP A 23 -8.925 -2.505 -13.931 1.00 0.00 O ATOM 0 H ASP A 23 -10.257 -4.287 -12.511 1.00 0.00 H new ATOM 0 HA ASP A 23 -8.712 -6.189 -13.915 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.869 -3.876 -12.125 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.799 -4.747 -13.205 1.00 0.00 H new ATOM 349 N TRP A 24 -8.186 -7.867 -12.153 1.00 0.00 N ATOM 350 CA TRP A 24 -7.625 -8.876 -11.247 1.00 0.00 C ATOM 351 C TRP A 24 -8.422 -8.976 -9.944 1.00 0.00 C ATOM 352 O TRP A 24 -8.005 -9.673 -9.014 1.00 0.00 O ATOM 353 CB TRP A 24 -6.156 -8.562 -10.929 1.00 0.00 C ATOM 354 CG TRP A 24 -5.224 -8.681 -12.104 1.00 0.00 C ATOM 355 CD1 TRP A 24 -5.502 -8.416 -13.415 1.00 0.00 C ATOM 356 CD2 TRP A 24 -3.848 -9.080 -12.061 1.00 0.00 C ATOM 357 NE1 TRP A 24 -4.388 -8.632 -14.188 1.00 0.00 N ATOM 358 CE2 TRP A 24 -3.359 -9.037 -13.381 1.00 0.00 C ATOM 359 CE3 TRP A 24 -2.983 -9.468 -11.033 1.00 0.00 C ATOM 360 CZ2 TRP A 24 -2.045 -9.371 -13.698 1.00 0.00 C ATOM 361 CZ3 TRP A 24 -1.678 -9.800 -11.350 1.00 0.00 C ATOM 362 CH2 TRP A 24 -1.220 -9.745 -12.672 1.00 0.00 C ATOM 0 H TRP A 24 -8.553 -8.254 -13.023 1.00 0.00 H new ATOM 0 HA TRP A 24 -7.687 -9.836 -11.759 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -6.092 -7.549 -10.532 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -5.816 -9.235 -10.142 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -6.459 -8.085 -13.789 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.336 -8.510 -15.199 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.328 -9.508 -10.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -1.689 -9.336 -14.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.002 -10.106 -10.566 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -0.194 -10.003 -12.887 1.00 0.00 H new ATOM 373 N LYS A 25 -9.571 -8.292 -9.894 1.00 0.00 N ATOM 374 CA LYS A 25 -10.385 -8.207 -8.679 1.00 0.00 C ATOM 375 C LYS A 25 -9.571 -7.617 -7.534 1.00 0.00 C ATOM 376 O LYS A 25 -9.788 -7.940 -6.365 1.00 0.00 O ATOM 377 CB LYS A 25 -10.935 -9.579 -8.291 1.00 0.00 C ATOM 378 CG LYS A 25 -11.974 -10.109 -9.267 1.00 0.00 C ATOM 379 CD LYS A 25 -12.516 -11.460 -8.832 1.00 0.00 C ATOM 380 CE LYS A 25 -13.670 -11.909 -9.714 1.00 0.00 C ATOM 381 NZ LYS A 25 -13.253 -12.112 -11.128 1.00 0.00 N ATOM 0 H LYS A 25 -9.959 -7.786 -10.690 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.230 -7.549 -8.883 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.110 -10.289 -8.228 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -11.378 -9.517 -7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -12.795 -9.396 -9.347 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.530 -10.197 -10.259 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.718 -12.202 -8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.850 -11.403 -7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -14.084 -12.838 -9.322 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.465 -11.165 -9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.050 -12.498 -11.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.962 -11.202 -11.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.455 -12.778 -11.162 1.00 0.00 H new ATOM 395 N ALA A 26 -8.642 -6.745 -7.883 1.00 0.00 N ATOM 396 CA ALA A 26 -7.798 -6.094 -6.900 1.00 0.00 C ATOM 397 C ALA A 26 -8.516 -4.900 -6.282 1.00 0.00 C ATOM 398 O ALA A 26 -9.217 -4.154 -6.975 1.00 0.00 O ATOM 399 CB ALA A 26 -6.486 -5.659 -7.537 1.00 0.00 C ATOM 0 H ALA A 26 -8.453 -6.471 -8.847 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.578 -6.807 -6.105 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.862 -5.172 -6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.966 -6.532 -7.931 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.690 -4.961 -8.349 1.00 0.00 H new ATOM 405 N THR A 27 -8.355 -4.733 -4.980 1.00 0.00 N ATOM 406 CA THR A 27 -8.962 -3.619 -4.279 1.00 0.00 C ATOM 407 C THR A 27 -7.930 -2.520 -4.060 1.00 0.00 C ATOM 408 O THR A 27 -6.899 -2.733 -3.419 1.00 0.00 O ATOM 409 CB THR A 27 -9.551 -4.066 -2.929 1.00 0.00 C ATOM 410 OG1 THR A 27 -10.459 -5.153 -3.142 1.00 0.00 O ATOM 411 CG2 THR A 27 -10.283 -2.921 -2.246 1.00 0.00 C ATOM 0 H THR A 27 -7.807 -5.357 -4.388 1.00 0.00 H new ATOM 0 HA THR A 27 -9.777 -3.234 -4.892 1.00 0.00 H new ATOM 0 HB THR A 27 -8.732 -4.384 -2.284 1.00 0.00 H new ATOM 0 HG1 THR A 27 -10.833 -5.440 -2.283 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.689 -3.265 -1.295 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.589 -2.100 -2.069 1.00 0.00 H new ATOM 0 HG23 THR A 27 -11.097 -2.577 -2.885 1.00 0.00 H new ATOM 419 N GLN A 28 -8.201 -1.355 -4.623 1.00 0.00 N ATOM 420 CA GLN A 28 -7.274 -0.243 -4.551 1.00 0.00 C ATOM 421 C GLN A 28 -7.644 0.690 -3.410 1.00 0.00 C ATOM 422 O GLN A 28 -8.820 1.013 -3.211 1.00 0.00 O ATOM 423 CB GLN A 28 -7.250 0.526 -5.875 1.00 0.00 C ATOM 424 CG GLN A 28 -6.368 -0.102 -6.952 1.00 0.00 C ATOM 425 CD GLN A 28 -6.705 -1.549 -7.253 1.00 0.00 C ATOM 426 OE1 GLN A 28 -6.146 -2.466 -6.657 1.00 0.00 O ATOM 427 NE2 GLN A 28 -7.624 -1.762 -8.180 1.00 0.00 N ATOM 0 H GLN A 28 -9.060 -1.156 -5.137 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.278 -0.644 -4.363 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.269 0.603 -6.255 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.903 1.542 -5.685 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.460 0.481 -7.869 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.326 -0.039 -6.637 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -8.065 -0.973 -8.652 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.892 -2.716 -8.423 1.00 0.00 H new ATOM 436 N ILE A 29 -6.640 1.108 -2.659 1.00 0.00 N ATOM 437 CA ILE A 29 -6.836 2.035 -1.559 1.00 0.00 C ATOM 438 C ILE A 29 -6.250 3.388 -1.932 1.00 0.00 C ATOM 439 O ILE A 29 -5.036 3.524 -2.108 1.00 0.00 O ATOM 440 CB ILE A 29 -6.169 1.531 -0.260 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.631 0.106 0.058 1.00 0.00 C ATOM 442 CG2 ILE A 29 -6.487 2.470 0.899 1.00 0.00 C ATOM 443 CD1 ILE A 29 -5.971 -0.490 1.284 1.00 0.00 C ATOM 0 H ILE A 29 -5.672 0.816 -2.793 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.907 2.120 -1.377 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.089 1.518 -0.405 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.711 0.108 0.203 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.426 -0.533 -0.801 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -6.010 2.101 1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.113 3.468 0.672 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.566 2.512 1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.348 -1.500 1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.892 -0.525 1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.197 0.126 2.155 1.00 0.00 H new ATOM 455 N LYS A 30 -7.109 4.381 -2.070 1.00 0.00 N ATOM 456 CA LYS A 30 -6.674 5.697 -2.498 1.00 0.00 C ATOM 457 C LYS A 30 -7.426 6.795 -1.765 1.00 0.00 C ATOM 458 O LYS A 30 -8.406 6.533 -1.072 1.00 0.00 O ATOM 459 CB LYS A 30 -6.827 5.855 -4.024 1.00 0.00 C ATOM 460 CG LYS A 30 -8.122 5.303 -4.632 1.00 0.00 C ATOM 461 CD LYS A 30 -9.369 6.002 -4.107 1.00 0.00 C ATOM 462 CE LYS A 30 -10.509 5.962 -5.112 1.00 0.00 C ATOM 463 NZ LYS A 30 -10.267 6.880 -6.261 1.00 0.00 N ATOM 0 H LYS A 30 -8.110 4.301 -1.892 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.618 5.794 -2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.758 6.915 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.984 5.361 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.082 5.408 -5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.192 4.237 -4.418 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.687 5.528 -3.179 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.131 7.039 -3.870 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -10.633 4.944 -5.480 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.440 6.237 -4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.041 6.787 -6.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.224 7.861 -5.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.366 6.634 -6.718 1.00 0.00 H new ATOM 477 N VAL A 31 -6.941 8.020 -1.909 1.00 0.00 N ATOM 478 CA VAL A 31 -7.637 9.194 -1.397 1.00 0.00 C ATOM 479 C VAL A 31 -8.749 9.560 -2.378 1.00 0.00 C ATOM 480 O VAL A 31 -9.493 8.689 -2.823 1.00 0.00 O ATOM 481 CB VAL A 31 -6.671 10.392 -1.211 1.00 0.00 C ATOM 482 CG1 VAL A 31 -7.223 11.390 -0.198 1.00 0.00 C ATOM 483 CG2 VAL A 31 -5.289 9.914 -0.786 1.00 0.00 C ATOM 0 H VAL A 31 -6.061 8.228 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.055 8.962 -0.417 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.580 10.897 -2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.525 12.220 -0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.184 11.768 -0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.355 10.896 0.765 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.629 10.773 -0.662 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.365 9.375 0.158 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.882 9.251 -1.550 1.00 0.00 H new ATOM 493 N GLU A 32 -8.877 10.829 -2.719 1.00 0.00 N ATOM 494 CA GLU A 32 -9.816 11.232 -3.755 1.00 0.00 C ATOM 495 C GLU A 32 -9.482 10.528 -5.075 1.00 0.00 C ATOM 496 O GLU A 32 -10.264 9.711 -5.573 1.00 0.00 O ATOM 497 CB GLU A 32 -9.814 12.754 -3.916 1.00 0.00 C ATOM 498 CG GLU A 32 -8.429 13.383 -3.882 1.00 0.00 C ATOM 499 CD GLU A 32 -8.480 14.892 -3.967 1.00 0.00 C ATOM 500 OE1 GLU A 32 -9.354 15.494 -3.315 1.00 0.00 O ATOM 501 OE2 GLU A 32 -7.653 15.479 -4.691 1.00 0.00 O ATOM 0 H GLU A 32 -8.349 11.594 -2.299 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.821 10.932 -3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.293 13.009 -4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.420 13.193 -3.123 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.922 13.090 -2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.836 12.995 -4.710 1.00 0.00 H new ATOM 508 N ASP A 33 -8.309 10.823 -5.618 1.00 0.00 N ATOM 509 CA ASP A 33 -7.828 10.140 -6.815 1.00 0.00 C ATOM 510 C ASP A 33 -6.330 9.867 -6.691 1.00 0.00 C ATOM 511 O ASP A 33 -5.637 9.603 -7.671 1.00 0.00 O ATOM 512 CB ASP A 33 -8.125 10.970 -8.067 1.00 0.00 C ATOM 513 CG ASP A 33 -7.947 10.165 -9.337 1.00 0.00 C ATOM 514 OD1 ASP A 33 -8.536 9.070 -9.435 1.00 0.00 O ATOM 515 OD2 ASP A 33 -7.205 10.610 -10.236 1.00 0.00 O ATOM 0 H ASP A 33 -7.672 11.530 -5.250 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.351 9.189 -6.911 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.146 11.348 -8.018 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.465 11.837 -8.092 1.00 0.00 H new ATOM 520 N VAL A 34 -5.837 9.917 -5.463 1.00 0.00 N ATOM 521 CA VAL A 34 -4.430 9.652 -5.194 1.00 0.00 C ATOM 522 C VAL A 34 -4.257 8.216 -4.716 1.00 0.00 C ATOM 523 O VAL A 34 -4.542 7.903 -3.560 1.00 0.00 O ATOM 524 CB VAL A 34 -3.852 10.620 -4.137 1.00 0.00 C ATOM 525 CG1 VAL A 34 -2.362 10.379 -3.935 1.00 0.00 C ATOM 526 CG2 VAL A 34 -4.110 12.065 -4.537 1.00 0.00 C ATOM 0 H VAL A 34 -6.390 10.139 -4.635 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.883 9.806 -6.124 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.357 10.428 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.979 11.073 -3.186 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.202 9.355 -3.597 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.837 10.536 -4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.696 12.731 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.636 12.267 -5.497 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.184 12.233 -4.620 1.00 0.00 H new ATOM 536 N LEU A 35 -3.820 7.349 -5.619 1.00 0.00 N ATOM 537 CA LEU A 35 -3.652 5.934 -5.316 1.00 0.00 C ATOM 538 C LEU A 35 -2.272 5.695 -4.714 1.00 0.00 C ATOM 539 O LEU A 35 -1.260 6.060 -5.310 1.00 0.00 O ATOM 540 CB LEU A 35 -3.844 5.106 -6.597 1.00 0.00 C ATOM 541 CG LEU A 35 -4.004 3.592 -6.408 1.00 0.00 C ATOM 542 CD1 LEU A 35 -4.723 2.996 -7.605 1.00 0.00 C ATOM 543 CD2 LEU A 35 -2.657 2.913 -6.233 1.00 0.00 C ATOM 0 H LEU A 35 -3.573 7.604 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.401 5.623 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.725 5.481 -7.118 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.989 5.281 -7.249 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.591 3.425 -5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.833 1.921 -7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.708 3.452 -7.702 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.144 3.186 -8.509 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.804 1.841 -6.101 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.043 3.089 -7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.155 3.321 -5.355 1.00 0.00 H new ATOM 555 N PHE A 36 -2.238 5.094 -3.530 1.00 0.00 N ATOM 556 CA PHE A 36 -0.976 4.829 -2.851 1.00 0.00 C ATOM 557 C PHE A 36 -0.844 3.358 -2.458 1.00 0.00 C ATOM 558 O PHE A 36 0.261 2.865 -2.253 1.00 0.00 O ATOM 559 CB PHE A 36 -0.827 5.729 -1.616 1.00 0.00 C ATOM 560 CG PHE A 36 -1.904 5.552 -0.576 1.00 0.00 C ATOM 561 CD1 PHE A 36 -3.116 6.216 -0.685 1.00 0.00 C ATOM 562 CD2 PHE A 36 -1.694 4.728 0.519 1.00 0.00 C ATOM 563 CE1 PHE A 36 -4.098 6.058 0.275 1.00 0.00 C ATOM 564 CE2 PHE A 36 -2.672 4.568 1.482 1.00 0.00 C ATOM 565 CZ PHE A 36 -3.875 5.233 1.359 1.00 0.00 C ATOM 0 H PHE A 36 -3.066 4.782 -3.023 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.173 5.058 -3.552 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.141 5.533 -1.155 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.821 6.770 -1.940 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.295 6.864 -1.530 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.755 4.205 0.621 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.039 6.579 0.177 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.495 3.923 2.330 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.641 5.108 2.110 1.00 0.00 H new ATOM 575 N ALA A 37 -1.966 2.653 -2.365 1.00 0.00 N ATOM 576 CA ALA A 37 -1.941 1.256 -1.959 1.00 0.00 C ATOM 577 C ALA A 37 -2.918 0.428 -2.784 1.00 0.00 C ATOM 578 O ALA A 37 -3.932 0.937 -3.262 1.00 0.00 O ATOM 579 CB ALA A 37 -2.255 1.123 -0.472 1.00 0.00 C ATOM 0 H ALA A 37 -2.896 3.023 -2.564 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.936 0.873 -2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.231 0.071 -0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.513 1.672 0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.246 1.531 -0.271 1.00 0.00 H new ATOM 585 N MET A 38 -2.598 -0.846 -2.959 1.00 0.00 N ATOM 586 CA MET A 38 -3.471 -1.770 -3.675 1.00 0.00 C ATOM 587 C MET A 38 -3.220 -3.195 -3.191 1.00 0.00 C ATOM 588 O MET A 38 -2.074 -3.564 -2.922 1.00 0.00 O ATOM 589 CB MET A 38 -3.238 -1.685 -5.193 1.00 0.00 C ATOM 590 CG MET A 38 -1.899 -2.261 -5.654 1.00 0.00 C ATOM 591 SD MET A 38 -1.641 -2.130 -7.435 1.00 0.00 S ATOM 592 CE MET A 38 -2.996 -3.131 -8.046 1.00 0.00 C ATOM 0 H MET A 38 -1.736 -1.267 -2.613 1.00 0.00 H new ATOM 0 HA MET A 38 -4.505 -1.492 -3.473 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.043 -2.214 -5.703 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.297 -0.641 -5.501 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.091 -1.742 -5.138 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.843 -3.310 -5.362 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.793 -3.430 -9.074 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.101 -4.020 -7.424 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.920 -2.553 -8.012 1.00 0.00 H new ATOM 602 N VAL A 39 -4.284 -3.978 -3.057 1.00 0.00 N ATOM 603 CA VAL A 39 -4.153 -5.371 -2.659 1.00 0.00 C ATOM 604 C VAL A 39 -4.552 -6.297 -3.806 1.00 0.00 C ATOM 605 O VAL A 39 -5.646 -6.194 -4.359 1.00 0.00 O ATOM 606 CB VAL A 39 -4.973 -5.694 -1.383 1.00 0.00 C ATOM 607 CG1 VAL A 39 -6.452 -5.367 -1.561 1.00 0.00 C ATOM 608 CG2 VAL A 39 -4.778 -7.151 -0.976 1.00 0.00 C ATOM 0 H VAL A 39 -5.243 -3.672 -3.218 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.104 -5.541 -2.418 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.599 -5.058 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.991 -5.608 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.566 -4.305 -1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.858 -5.954 -2.385 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.361 -7.359 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.111 -7.802 -1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.723 -7.334 -0.774 1.00 0.00 H new ATOM 618 N LYS A 40 -3.638 -7.181 -4.174 1.00 0.00 N ATOM 619 CA LYS A 40 -3.845 -8.095 -5.286 1.00 0.00 C ATOM 620 C LYS A 40 -3.527 -9.523 -4.866 1.00 0.00 C ATOM 621 O LYS A 40 -2.509 -9.771 -4.217 1.00 0.00 O ATOM 622 CB LYS A 40 -2.955 -7.694 -6.467 1.00 0.00 C ATOM 623 CG LYS A 40 -1.500 -7.466 -6.073 1.00 0.00 C ATOM 624 CD LYS A 40 -0.591 -7.385 -7.289 1.00 0.00 C ATOM 625 CE LYS A 40 -0.452 -8.739 -7.969 1.00 0.00 C ATOM 626 NZ LYS A 40 0.127 -9.770 -7.062 1.00 0.00 N ATOM 0 H LYS A 40 -2.735 -7.285 -3.712 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.891 -8.041 -5.589 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.001 -8.472 -7.229 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.349 -6.783 -6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.420 -6.544 -5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.168 -8.277 -5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.992 -6.660 -7.997 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.393 -7.025 -6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.431 -9.071 -8.316 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.181 -8.637 -8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.966 -10.193 -7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.399 -9.327 -6.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.580 -10.511 -6.883 1.00 0.00 H new ATOM 640 N GLU A 41 -4.384 -10.460 -5.237 1.00 0.00 N ATOM 641 CA GLU A 41 -4.164 -11.856 -4.900 1.00 0.00 C ATOM 642 C GLU A 41 -3.578 -12.613 -6.087 1.00 0.00 C ATOM 643 O GLU A 41 -4.066 -12.506 -7.211 1.00 0.00 O ATOM 644 CB GLU A 41 -5.467 -12.529 -4.463 1.00 0.00 C ATOM 645 CG GLU A 41 -5.265 -13.956 -3.973 1.00 0.00 C ATOM 646 CD GLU A 41 -6.545 -14.757 -3.940 1.00 0.00 C ATOM 647 OE1 GLU A 41 -7.326 -14.602 -2.982 1.00 0.00 O ATOM 648 OE2 GLU A 41 -6.771 -15.555 -4.879 1.00 0.00 O ATOM 0 H GLU A 41 -5.235 -10.280 -5.770 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.457 -11.884 -4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.925 -11.940 -3.669 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -6.165 -12.534 -5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.546 -14.458 -4.620 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -4.832 -13.933 -2.973 1.00 0.00 H new ATOM 655 N VAL A 42 -2.512 -13.348 -5.830 1.00 0.00 N ATOM 656 CA VAL A 42 -1.953 -14.270 -6.808 1.00 0.00 C ATOM 657 C VAL A 42 -1.303 -15.431 -6.064 1.00 0.00 C ATOM 658 O VAL A 42 -0.758 -15.233 -4.976 1.00 0.00 O ATOM 659 CB VAL A 42 -0.939 -13.581 -7.757 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.311 -13.153 -7.013 1.00 0.00 C ATOM 661 CG2 VAL A 42 -0.585 -14.488 -8.929 1.00 0.00 C ATOM 0 H VAL A 42 -2.009 -13.325 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.760 -14.636 -7.443 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.416 -12.684 -8.152 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.001 -12.673 -7.707 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.042 -12.450 -6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.789 -14.028 -6.572 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.128 -13.981 -9.579 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.142 -15.410 -8.554 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.488 -14.723 -9.493 1.00 0.00 H new ATOM 671 N GLU A 43 -1.414 -16.640 -6.616 1.00 0.00 N ATOM 672 CA GLU A 43 -0.936 -17.849 -5.940 1.00 0.00 C ATOM 673 C GLU A 43 -1.752 -18.063 -4.658 1.00 0.00 C ATOM 674 O GLU A 43 -1.346 -18.789 -3.752 1.00 0.00 O ATOM 675 CB GLU A 43 0.573 -17.742 -5.628 1.00 0.00 C ATOM 676 CG GLU A 43 1.203 -19.034 -5.123 1.00 0.00 C ATOM 677 CD GLU A 43 2.670 -18.880 -4.770 1.00 0.00 C ATOM 678 OE1 GLU A 43 3.517 -18.963 -5.683 1.00 0.00 O ATOM 679 OE2 GLU A 43 2.987 -18.696 -3.574 1.00 0.00 O ATOM 0 H GLU A 43 -1.831 -16.809 -7.531 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.072 -18.709 -6.596 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.097 -17.425 -6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.723 -16.962 -4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.658 -19.378 -4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.098 -19.805 -5.886 1.00 0.00 H new ATOM 686 N ASN A 44 -2.928 -17.425 -4.614 1.00 0.00 N ATOM 687 CA ASN A 44 -3.806 -17.442 -3.445 1.00 0.00 C ATOM 688 C ASN A 44 -3.158 -16.741 -2.252 1.00 0.00 C ATOM 689 O ASN A 44 -3.578 -16.922 -1.108 1.00 0.00 O ATOM 690 CB ASN A 44 -4.217 -18.875 -3.076 1.00 0.00 C ATOM 691 CG ASN A 44 -5.164 -19.503 -4.085 1.00 0.00 C ATOM 692 OD1 ASN A 44 -6.052 -18.701 -4.664 1.00 0.00 O flip ATOM 693 ND2 ASN A 44 -5.115 -20.709 -4.331 1.00 0.00 N flip ATOM 0 H ASN A 44 -3.296 -16.881 -5.394 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.708 -16.890 -3.709 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.323 -19.493 -2.993 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.693 -18.869 -2.095 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.421 -21.296 -3.869 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.769 -21.121 -4.997 1.00 0.00 H new ATOM 700 N ARG A 45 -2.146 -15.923 -2.528 1.00 0.00 N ATOM 701 CA ARG A 45 -1.511 -15.107 -1.502 1.00 0.00 C ATOM 702 C ARG A 45 -1.784 -13.629 -1.755 1.00 0.00 C ATOM 703 O ARG A 45 -1.676 -13.154 -2.890 1.00 0.00 O ATOM 704 CB ARG A 45 0.002 -15.353 -1.442 1.00 0.00 C ATOM 705 CG ARG A 45 0.403 -16.521 -0.555 1.00 0.00 C ATOM 706 CD ARG A 45 0.023 -17.860 -1.161 1.00 0.00 C ATOM 707 NE ARG A 45 0.211 -18.958 -0.214 1.00 0.00 N ATOM 708 CZ ARG A 45 1.250 -19.791 -0.232 1.00 0.00 C ATOM 709 NH1 ARG A 45 2.193 -19.670 -1.155 1.00 0.00 N ATOM 710 NH2 ARG A 45 1.331 -20.761 0.668 1.00 0.00 N ATOM 0 H ARG A 45 -1.747 -15.809 -3.460 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.940 -15.395 -0.542 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.371 -15.533 -2.452 1.00 0.00 H new ATOM 0 HB3 ARG A 45 0.493 -14.450 -1.080 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.479 -16.493 -0.386 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.075 -16.416 0.419 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.018 -17.831 -1.482 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.626 -18.040 -2.051 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.498 -19.095 0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.126 -18.935 -1.859 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.985 -20.312 -1.162 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.599 -20.867 1.371 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.125 -21.401 0.658 1.00 0.00 H new ATOM 724 N PRO A 46 -2.170 -12.893 -0.705 1.00 0.00 N ATOM 725 CA PRO A 46 -2.439 -11.461 -0.795 1.00 0.00 C ATOM 726 C PRO A 46 -1.155 -10.637 -0.845 1.00 0.00 C ATOM 727 O PRO A 46 -0.253 -10.817 -0.024 1.00 0.00 O ATOM 728 CB PRO A 46 -3.221 -11.146 0.491 1.00 0.00 C ATOM 729 CG PRO A 46 -3.457 -12.464 1.163 1.00 0.00 C ATOM 730 CD PRO A 46 -2.394 -13.392 0.654 1.00 0.00 C ATOM 0 HA PRO A 46 -2.983 -11.212 -1.706 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.656 -10.474 1.137 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -4.164 -10.650 0.263 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.399 -12.364 2.247 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.451 -12.846 0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.489 -13.345 1.259 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.725 -14.430 0.657 1.00 0.00 H new ATOM 738 N ALA A 47 -1.078 -9.742 -1.816 1.00 0.00 N ATOM 739 CA ALA A 47 0.076 -8.874 -1.969 1.00 0.00 C ATOM 740 C ALA A 47 -0.339 -7.410 -1.931 1.00 0.00 C ATOM 741 O ALA A 47 -1.387 -7.042 -2.464 1.00 0.00 O ATOM 742 CB ALA A 47 0.791 -9.178 -3.274 1.00 0.00 C ATOM 0 H ALA A 47 -1.807 -9.598 -2.514 1.00 0.00 H new ATOM 0 HA ALA A 47 0.756 -9.061 -1.138 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.654 -8.521 -3.377 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.123 -10.216 -3.274 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.109 -9.015 -4.109 1.00 0.00 H new ATOM 748 N VAL A 48 0.488 -6.583 -1.314 1.00 0.00 N ATOM 749 CA VAL A 48 0.211 -5.161 -1.206 1.00 0.00 C ATOM 750 C VAL A 48 1.295 -4.351 -1.916 1.00 0.00 C ATOM 751 O VAL A 48 2.488 -4.624 -1.774 1.00 0.00 O ATOM 752 CB VAL A 48 0.094 -4.724 0.277 1.00 0.00 C ATOM 753 CG1 VAL A 48 1.364 -5.049 1.051 1.00 0.00 C ATOM 754 CG2 VAL A 48 -0.234 -3.240 0.386 1.00 0.00 C ATOM 0 H VAL A 48 1.363 -6.875 -0.878 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.746 -4.967 -1.691 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.726 -5.289 0.721 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.250 -4.730 2.087 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.544 -6.124 1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.208 -4.526 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.310 -2.960 1.437 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.556 -2.657 -0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.182 -3.039 -0.113 1.00 0.00 H new ATOM 764 N SER A 49 0.879 -3.381 -2.711 1.00 0.00 N ATOM 765 CA SER A 49 1.819 -2.513 -3.400 1.00 0.00 C ATOM 766 C SER A 49 1.728 -1.109 -2.817 1.00 0.00 C ATOM 767 O SER A 49 0.634 -0.565 -2.672 1.00 0.00 O ATOM 768 CB SER A 49 1.528 -2.495 -4.902 1.00 0.00 C ATOM 769 OG SER A 49 2.598 -1.913 -5.626 1.00 0.00 O ATOM 0 H SER A 49 -0.103 -3.174 -2.896 1.00 0.00 H new ATOM 0 HA SER A 49 2.831 -2.893 -3.259 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.359 -3.513 -5.254 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.612 -1.936 -5.091 1.00 0.00 H new ATOM 0 HG SER A 49 3.440 -2.072 -5.150 1.00 0.00 H new ATOM 775 N LEU A 50 2.876 -0.533 -2.483 1.00 0.00 N ATOM 776 CA LEU A 50 2.917 0.729 -1.752 1.00 0.00 C ATOM 777 C LEU A 50 3.307 1.893 -2.654 1.00 0.00 C ATOM 778 O LEU A 50 3.981 2.822 -2.210 1.00 0.00 O ATOM 779 CB LEU A 50 3.910 0.648 -0.582 1.00 0.00 C ATOM 780 CG LEU A 50 3.573 -0.352 0.533 1.00 0.00 C ATOM 781 CD1 LEU A 50 3.822 -1.789 0.093 1.00 0.00 C ATOM 782 CD2 LEU A 50 4.381 -0.034 1.779 1.00 0.00 C ATOM 0 H LEU A 50 3.793 -0.920 -2.707 1.00 0.00 H new ATOM 0 HA LEU A 50 1.911 0.906 -1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.891 0.394 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.995 1.639 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 50 2.511 -0.256 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.572 -2.468 0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.200 -2.017 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.872 -1.912 -0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.135 -0.749 2.564 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.445 -0.099 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.144 0.974 2.119 1.00 0.00 H new ATOM 794 N LYS A 51 2.865 1.844 -3.909 1.00 0.00 N ATOM 795 CA LYS A 51 3.175 2.894 -4.881 1.00 0.00 C ATOM 796 C LYS A 51 4.685 3.132 -4.926 1.00 0.00 C ATOM 797 O LYS A 51 5.163 4.258 -4.769 1.00 0.00 O ATOM 798 CB LYS A 51 2.417 4.186 -4.526 1.00 0.00 C ATOM 799 CG LYS A 51 1.938 4.988 -5.731 1.00 0.00 C ATOM 800 CD LYS A 51 3.086 5.649 -6.469 1.00 0.00 C ATOM 801 CE LYS A 51 2.605 6.378 -7.712 1.00 0.00 C ATOM 802 NZ LYS A 51 3.713 7.101 -8.388 1.00 0.00 N ATOM 0 H LYS A 51 2.290 1.087 -4.279 1.00 0.00 H new ATOM 0 HA LYS A 51 2.851 2.576 -5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.555 3.929 -3.910 1.00 0.00 H new ATOM 0 HB3 LYS A 51 3.065 4.818 -3.919 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.400 4.330 -6.413 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.233 5.751 -5.401 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.589 6.353 -5.806 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.821 4.895 -6.750 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.161 5.663 -8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.822 7.085 -7.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.347 7.586 -9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.120 7.801 -7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.449 6.422 -8.671 1.00 0.00 H new ATOM 816 N THR A 52 5.422 2.041 -5.127 1.00 0.00 N ATOM 817 CA THR A 52 6.880 2.061 -5.138 1.00 0.00 C ATOM 818 C THR A 52 7.425 2.224 -3.717 1.00 0.00 C ATOM 819 O THR A 52 7.937 1.267 -3.136 1.00 0.00 O ATOM 820 CB THR A 52 7.435 3.183 -6.044 1.00 0.00 C ATOM 821 OG1 THR A 52 6.764 3.166 -7.314 1.00 0.00 O ATOM 822 CG2 THR A 52 8.931 3.016 -6.260 1.00 0.00 C ATOM 0 H THR A 52 5.022 1.117 -5.287 1.00 0.00 H new ATOM 0 HA THR A 52 7.212 1.106 -5.546 1.00 0.00 H new ATOM 0 HB THR A 52 7.258 4.138 -5.549 1.00 0.00 H new ATOM 0 HG1 THR A 52 7.123 2.438 -7.864 1.00 0.00 H new ATOM 0 HG21 THR A 52 9.298 3.818 -6.901 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.444 3.056 -5.299 1.00 0.00 H new ATOM 0 HG23 THR A 52 9.125 2.054 -6.735 1.00 0.00 H new ATOM 830 N SER A 53 7.255 3.426 -3.162 1.00 0.00 N ATOM 831 CA SER A 53 7.772 3.780 -1.843 1.00 0.00 C ATOM 832 C SER A 53 9.302 3.756 -1.824 1.00 0.00 C ATOM 833 O SER A 53 9.929 2.704 -1.979 1.00 0.00 O ATOM 834 CB SER A 53 7.205 2.854 -0.759 1.00 0.00 C ATOM 835 OG SER A 53 7.629 3.256 0.536 1.00 0.00 O ATOM 0 H SER A 53 6.751 4.185 -3.621 1.00 0.00 H new ATOM 0 HA SER A 53 7.446 4.797 -1.625 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.116 2.860 -0.806 1.00 0.00 H new ATOM 0 HB3 SER A 53 7.527 1.830 -0.948 1.00 0.00 H new ATOM 0 HG SER A 53 6.944 3.015 1.194 1.00 0.00 H new ATOM 841 N PRO A 54 9.927 4.928 -1.619 1.00 0.00 N ATOM 842 CA PRO A 54 11.390 5.055 -1.580 1.00 0.00 C ATOM 843 C PRO A 54 12.016 4.212 -0.469 1.00 0.00 C ATOM 844 O PRO A 54 13.206 3.906 -0.501 1.00 0.00 O ATOM 845 CB PRO A 54 11.619 6.547 -1.306 1.00 0.00 C ATOM 846 CG PRO A 54 10.349 7.214 -1.707 1.00 0.00 C ATOM 847 CD PRO A 54 9.258 6.225 -1.418 1.00 0.00 C ATOM 0 HA PRO A 54 11.849 4.703 -2.504 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.843 6.725 -0.254 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.463 6.928 -1.880 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.198 8.137 -1.147 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.365 7.481 -2.764 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.877 6.330 -0.402 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.410 6.351 -2.091 1.00 0.00 H new ATOM 855 N GLU A 55 11.201 3.843 0.511 1.00 0.00 N ATOM 856 CA GLU A 55 11.649 3.013 1.621 1.00 0.00 C ATOM 857 C GLU A 55 11.762 1.553 1.190 1.00 0.00 C ATOM 858 O GLU A 55 12.770 0.891 1.446 1.00 0.00 O ATOM 859 CB GLU A 55 10.673 3.146 2.790 1.00 0.00 C ATOM 860 CG GLU A 55 10.543 4.570 3.302 1.00 0.00 C ATOM 861 CD GLU A 55 9.430 4.732 4.317 1.00 0.00 C ATOM 862 OE1 GLU A 55 9.606 4.293 5.474 1.00 0.00 O ATOM 863 OE2 GLU A 55 8.383 5.309 3.960 1.00 0.00 O ATOM 0 H GLU A 55 10.217 4.109 0.559 1.00 0.00 H new ATOM 0 HA GLU A 55 12.635 3.352 1.937 1.00 0.00 H new ATOM 0 HB2 GLU A 55 9.692 2.788 2.478 1.00 0.00 H new ATOM 0 HB3 GLU A 55 11.003 2.502 3.605 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.487 4.876 3.753 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.361 5.238 2.460 1.00 0.00 H new ATOM 870 N LEU A 56 10.726 1.067 0.515 1.00 0.00 N ATOM 871 CA LEU A 56 10.677 -0.323 0.075 1.00 0.00 C ATOM 872 C LEU A 56 11.654 -0.573 -1.067 1.00 0.00 C ATOM 873 O LEU A 56 12.253 -1.646 -1.158 1.00 0.00 O ATOM 874 CB LEU A 56 9.254 -0.707 -0.357 1.00 0.00 C ATOM 875 CG LEU A 56 8.281 -1.067 0.777 1.00 0.00 C ATOM 876 CD1 LEU A 56 8.802 -2.257 1.568 1.00 0.00 C ATOM 877 CD2 LEU A 56 8.045 0.118 1.700 1.00 0.00 C ATOM 0 H LEU A 56 9.906 1.617 0.260 1.00 0.00 H new ATOM 0 HA LEU A 56 10.969 -0.947 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.831 0.123 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.319 -1.556 -1.037 1.00 0.00 H new ATOM 0 HG LEU A 56 7.327 -1.336 0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.101 -2.498 2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.907 -3.116 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.772 -2.011 1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.353 -0.169 2.491 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.992 0.429 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.621 0.945 1.130 1.00 0.00 H new ATOM 889 N ALA A 57 11.818 0.429 -1.931 1.00 0.00 N ATOM 890 CA ALA A 57 12.730 0.326 -3.065 1.00 0.00 C ATOM 891 C ALA A 57 14.157 0.043 -2.601 1.00 0.00 C ATOM 892 O ALA A 57 14.863 -0.774 -3.197 1.00 0.00 O ATOM 893 CB ALA A 57 12.681 1.597 -3.900 1.00 0.00 C ATOM 0 H ALA A 57 11.329 1.322 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 57 12.408 -0.512 -3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 57 13.367 1.506 -4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.668 1.749 -4.272 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.974 2.448 -3.285 1.00 0.00 H new ATOM 899 N GLU A 58 14.574 0.710 -1.528 1.00 0.00 N ATOM 900 CA GLU A 58 15.905 0.502 -0.973 1.00 0.00 C ATOM 901 C GLU A 58 16.062 -0.921 -0.464 1.00 0.00 C ATOM 902 O GLU A 58 17.025 -1.609 -0.799 1.00 0.00 O ATOM 903 CB GLU A 58 16.166 1.471 0.173 1.00 0.00 C ATOM 904 CG GLU A 58 16.137 2.930 -0.238 1.00 0.00 C ATOM 905 CD GLU A 58 17.011 3.220 -1.439 1.00 0.00 C ATOM 906 OE1 GLU A 58 18.249 3.155 -1.312 1.00 0.00 O ATOM 907 OE2 GLU A 58 16.463 3.533 -2.517 1.00 0.00 O ATOM 0 H GLU A 58 14.010 1.397 -1.028 1.00 0.00 H new ATOM 0 HA GLU A 58 16.626 0.680 -1.771 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.420 1.308 0.951 1.00 0.00 H new ATOM 0 HB3 GLU A 58 17.138 1.246 0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.110 3.219 -0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.464 3.545 0.600 1.00 0.00 H new ATOM 914 N LEU A 59 15.108 -1.347 0.351 1.00 0.00 N ATOM 915 CA LEU A 59 15.110 -2.689 0.921 1.00 0.00 C ATOM 916 C LEU A 59 15.250 -3.745 -0.174 1.00 0.00 C ATOM 917 O LEU A 59 16.035 -4.686 -0.045 1.00 0.00 O ATOM 918 CB LEU A 59 13.817 -2.920 1.708 1.00 0.00 C ATOM 919 CG LEU A 59 13.706 -4.277 2.400 1.00 0.00 C ATOM 920 CD1 LEU A 59 14.728 -4.394 3.522 1.00 0.00 C ATOM 921 CD2 LEU A 59 12.295 -4.490 2.932 1.00 0.00 C ATOM 0 H LEU A 59 14.313 -0.775 0.636 1.00 0.00 H new ATOM 0 HA LEU A 59 15.964 -2.778 1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.726 -2.138 2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.973 -2.808 1.028 1.00 0.00 H new ATOM 0 HG LEU A 59 13.917 -5.055 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 59 14.632 -5.368 4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 59 15.732 -4.289 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.553 -3.609 4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.234 -5.462 3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 59 12.055 -3.706 3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.585 -4.455 2.105 1.00 0.00 H new ATOM 933 N LEU A 60 14.502 -3.561 -1.257 1.00 0.00 N ATOM 934 CA LEU A 60 14.522 -4.495 -2.377 1.00 0.00 C ATOM 935 C LEU A 60 15.889 -4.505 -3.064 1.00 0.00 C ATOM 936 O LEU A 60 16.370 -5.551 -3.495 1.00 0.00 O ATOM 937 CB LEU A 60 13.429 -4.128 -3.386 1.00 0.00 C ATOM 938 CG LEU A 60 13.232 -5.129 -4.528 1.00 0.00 C ATOM 939 CD1 LEU A 60 12.772 -6.474 -3.984 1.00 0.00 C ATOM 940 CD2 LEU A 60 12.229 -4.590 -5.538 1.00 0.00 C ATOM 0 H LEU A 60 13.871 -2.769 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 60 14.331 -5.495 -1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 60 12.485 -4.021 -2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 60 13.665 -3.154 -3.815 1.00 0.00 H new ATOM 0 HG LEU A 60 14.188 -5.271 -5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.637 -7.173 -4.809 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.522 -6.864 -3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 60 11.827 -6.349 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.100 -5.313 -6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.272 -4.421 -5.045 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.596 -3.650 -5.949 1.00 0.00 H new ATOM 952 N ARG A 61 16.511 -3.338 -3.165 1.00 0.00 N ATOM 953 CA ARG A 61 17.840 -3.235 -3.758 1.00 0.00 C ATOM 954 C ARG A 61 18.875 -3.948 -2.902 1.00 0.00 C ATOM 955 O ARG A 61 19.657 -4.754 -3.405 1.00 0.00 O ATOM 956 CB ARG A 61 18.240 -1.770 -3.945 1.00 0.00 C ATOM 957 CG ARG A 61 17.633 -1.125 -5.177 1.00 0.00 C ATOM 958 CD ARG A 61 18.138 -1.784 -6.450 1.00 0.00 C ATOM 959 NE ARG A 61 17.585 -1.163 -7.652 1.00 0.00 N ATOM 960 CZ ARG A 61 17.873 -1.554 -8.893 1.00 0.00 C ATOM 961 NH1 ARG A 61 18.723 -2.556 -9.100 1.00 0.00 N ATOM 962 NH2 ARG A 61 17.323 -0.936 -9.930 1.00 0.00 N ATOM 0 H ARG A 61 16.120 -2.452 -2.846 1.00 0.00 H new ATOM 0 HA ARG A 61 17.804 -3.717 -4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 61 17.938 -1.205 -3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 61 19.326 -1.704 -4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 61 16.547 -1.201 -5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 61 17.878 -0.063 -5.193 1.00 0.00 H new ATOM 0 HD2 ARG A 61 19.226 -1.725 -6.481 1.00 0.00 H new ATOM 0 HD3 ARG A 61 17.877 -2.842 -6.437 1.00 0.00 H new ATOM 0 HE ARG A 61 16.939 -0.383 -7.534 1.00 0.00 H new ATOM 0 HH11 ARG A 61 19.157 -3.028 -8.307 1.00 0.00 H new ATOM 0 HH12 ARG A 61 18.940 -2.852 -10.052 1.00 0.00 H new ATOM 0 HH21 ARG A 61 16.678 -0.160 -9.778 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.545 -1.237 -10.879 1.00 0.00 H new ATOM 976 N GLN A 62 18.857 -3.657 -1.609 1.00 0.00 N ATOM 977 CA GLN A 62 19.826 -4.217 -0.680 1.00 0.00 C ATOM 978 C GLN A 62 19.719 -5.739 -0.601 1.00 0.00 C ATOM 979 O GLN A 62 20.647 -6.452 -0.983 1.00 0.00 O ATOM 980 CB GLN A 62 19.667 -3.595 0.710 1.00 0.00 C ATOM 981 CG GLN A 62 20.505 -2.341 0.916 1.00 0.00 C ATOM 982 CD GLN A 62 20.148 -1.208 -0.029 1.00 0.00 C ATOM 983 OE1 GLN A 62 20.658 -1.131 -1.148 1.00 0.00 O ATOM 984 NE2 GLN A 62 19.299 -0.302 0.422 1.00 0.00 N ATOM 0 H GLN A 62 18.176 -3.032 -1.178 1.00 0.00 H new ATOM 0 HA GLN A 62 20.819 -3.975 -1.059 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.617 -3.351 0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 62 19.942 -4.334 1.463 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.383 -1.998 1.943 1.00 0.00 H new ATOM 0 HG3 GLN A 62 21.558 -2.593 0.787 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.897 -0.399 1.354 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.046 0.495 -0.162 1.00 0.00 H new ATOM 993 N GLN A 63 18.597 -6.237 -0.105 1.00 0.00 N ATOM 994 CA GLN A 63 18.404 -7.673 0.032 1.00 0.00 C ATOM 995 C GLN A 63 17.082 -8.112 -0.587 1.00 0.00 C ATOM 996 O GLN A 63 16.023 -7.986 0.024 1.00 0.00 O ATOM 997 CB GLN A 63 18.457 -8.062 1.505 1.00 0.00 C ATOM 998 CG GLN A 63 19.793 -7.749 2.154 1.00 0.00 C ATOM 999 CD GLN A 63 20.884 -8.739 1.778 1.00 0.00 C ATOM 1000 OE1 GLN A 63 21.087 -9.744 2.458 1.00 0.00 O ATOM 1001 NE2 GLN A 63 21.590 -8.461 0.693 1.00 0.00 N ATOM 0 H GLN A 63 17.809 -5.671 0.208 1.00 0.00 H new ATOM 0 HA GLN A 63 19.206 -8.182 -0.502 1.00 0.00 H new ATOM 0 HB2 GLN A 63 17.667 -7.537 2.042 1.00 0.00 H new ATOM 0 HB3 GLN A 63 18.254 -9.129 1.601 1.00 0.00 H new ATOM 0 HG2 GLN A 63 20.105 -6.746 1.864 1.00 0.00 H new ATOM 0 HG3 GLN A 63 19.672 -7.745 3.237 1.00 0.00 H new ATOM 0 HE21 GLN A 63 21.390 -7.617 0.157 1.00 0.00 H new ATOM 0 HE22 GLN A 63 22.334 -9.091 0.393 1.00 0.00 H new ATOM 1010 N HIS A 64 17.152 -8.629 -1.804 1.00 0.00 N ATOM 1011 CA HIS A 64 15.961 -9.081 -2.514 1.00 0.00 C ATOM 1012 C HIS A 64 15.882 -10.602 -2.528 1.00 0.00 C ATOM 1013 O HIS A 64 15.842 -11.237 -3.585 1.00 0.00 O ATOM 1014 CB HIS A 64 15.914 -8.515 -3.941 1.00 0.00 C ATOM 1015 CG HIS A 64 17.203 -8.620 -4.703 1.00 0.00 C ATOM 1016 ND1 HIS A 64 18.142 -7.610 -4.730 1.00 0.00 N ATOM 1017 CD2 HIS A 64 17.701 -9.613 -5.476 1.00 0.00 C ATOM 1018 CE1 HIS A 64 19.160 -7.978 -5.489 1.00 0.00 C ATOM 1019 NE2 HIS A 64 18.915 -9.191 -5.951 1.00 0.00 N ATOM 0 H HIS A 64 18.022 -8.747 -2.323 1.00 0.00 H new ATOM 0 HA HIS A 64 15.091 -8.701 -1.979 1.00 0.00 H new ATOM 0 HB2 HIS A 64 15.136 -9.036 -4.498 1.00 0.00 H new ATOM 0 HB3 HIS A 64 15.622 -7.466 -3.891 1.00 0.00 H new ATOM 0 HD1 HIS A 64 18.063 -6.718 -4.241 1.00 0.00 H new ATOM 0 HD2 HIS A 64 17.229 -10.563 -5.681 1.00 0.00 H new ATOM 0 HE1 HIS A 64 20.041 -7.388 -5.696 1.00 0.00 H new ATOM 1028 N SER A 65 15.864 -11.175 -1.339 1.00 0.00 N ATOM 1029 CA SER A 65 15.729 -12.609 -1.169 1.00 0.00 C ATOM 1030 C SER A 65 14.598 -12.884 -0.188 1.00 0.00 C ATOM 1031 O SER A 65 14.337 -12.054 0.688 1.00 0.00 O ATOM 1032 CB SER A 65 17.045 -13.204 -0.660 1.00 0.00 C ATOM 1033 OG SER A 65 18.117 -12.882 -1.532 1.00 0.00 O ATOM 0 H SER A 65 15.943 -10.658 -0.463 1.00 0.00 H new ATOM 0 HA SER A 65 15.496 -13.076 -2.126 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.258 -12.825 0.340 1.00 0.00 H new ATOM 0 HB3 SER A 65 16.951 -14.287 -0.577 1.00 0.00 H new ATOM 0 HG SER A 65 18.948 -13.271 -1.187 1.00 0.00 H new ATOM 1039 N ASP A 66 13.913 -14.018 -0.363 1.00 0.00 N ATOM 1040 CA ASP A 66 12.756 -14.397 0.465 1.00 0.00 C ATOM 1041 C ASP A 66 11.530 -13.554 0.108 1.00 0.00 C ATOM 1042 O ASP A 66 10.425 -14.079 -0.037 1.00 0.00 O ATOM 1043 CB ASP A 66 13.083 -14.289 1.960 1.00 0.00 C ATOM 1044 CG ASP A 66 11.893 -14.576 2.852 1.00 0.00 C ATOM 1045 OD1 ASP A 66 11.435 -15.739 2.898 1.00 0.00 O ATOM 1046 OD2 ASP A 66 11.432 -13.643 3.540 1.00 0.00 O ATOM 0 H ASP A 66 14.143 -14.703 -1.083 1.00 0.00 H new ATOM 0 HA ASP A 66 12.521 -15.440 0.253 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.886 -14.985 2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.455 -13.287 2.173 1.00 0.00 H new ATOM 1051 N VAL A 67 11.733 -12.252 -0.036 1.00 0.00 N ATOM 1052 CA VAL A 67 10.691 -11.355 -0.508 1.00 0.00 C ATOM 1053 C VAL A 67 10.549 -11.494 -2.025 1.00 0.00 C ATOM 1054 O VAL A 67 11.542 -11.684 -2.731 1.00 0.00 O ATOM 1055 CB VAL A 67 10.996 -9.884 -0.126 1.00 0.00 C ATOM 1056 CG1 VAL A 67 12.302 -9.411 -0.753 1.00 0.00 C ATOM 1057 CG2 VAL A 67 9.842 -8.970 -0.517 1.00 0.00 C ATOM 0 H VAL A 67 12.619 -11.791 0.170 1.00 0.00 H new ATOM 0 HA VAL A 67 9.752 -11.631 -0.027 1.00 0.00 H new ATOM 0 HB VAL A 67 11.111 -9.838 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 67 12.489 -8.376 -0.467 1.00 0.00 H new ATOM 0 HG12 VAL A 67 13.122 -10.038 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.231 -9.480 -1.838 1.00 0.00 H new ATOM 0 HG21 VAL A 67 10.080 -7.944 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.682 -9.026 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.936 -9.285 0.001 1.00 0.00 H new ATOM 1067 N ARG A 68 9.321 -11.420 -2.520 1.00 0.00 N ATOM 1068 CA ARG A 68 9.053 -11.662 -3.934 1.00 0.00 C ATOM 1069 C ARG A 68 8.622 -10.388 -4.651 1.00 0.00 C ATOM 1070 O ARG A 68 7.489 -9.933 -4.495 1.00 0.00 O ATOM 1071 CB ARG A 68 7.968 -12.729 -4.085 1.00 0.00 C ATOM 1072 CG ARG A 68 8.314 -14.041 -3.406 1.00 0.00 C ATOM 1073 CD ARG A 68 7.197 -15.060 -3.545 1.00 0.00 C ATOM 1074 NE ARG A 68 7.503 -16.294 -2.827 1.00 0.00 N ATOM 1075 CZ ARG A 68 6.674 -17.332 -2.727 1.00 0.00 C ATOM 1076 NH1 ARG A 68 5.482 -17.299 -3.322 1.00 0.00 N ATOM 1077 NH2 ARG A 68 7.042 -18.401 -2.032 1.00 0.00 N ATOM 0 H ARG A 68 8.495 -11.195 -1.966 1.00 0.00 H new ATOM 0 HA ARG A 68 9.979 -12.010 -4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.035 -12.349 -3.670 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.794 -12.912 -5.145 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.229 -14.444 -3.839 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.513 -13.862 -2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.268 -14.637 -3.163 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.036 -15.282 -4.600 1.00 0.00 H new ATOM 0 HE ARG A 68 8.413 -16.366 -2.371 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.201 -16.477 -3.857 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.850 -18.096 -3.243 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.955 -18.425 -1.578 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.412 -19.199 -1.952 1.00 0.00 H new ATOM 1091 N PRO A 69 9.525 -9.785 -5.437 1.00 0.00 N ATOM 1092 CA PRO A 69 9.197 -8.633 -6.271 1.00 0.00 C ATOM 1093 C PRO A 69 8.519 -9.053 -7.576 1.00 0.00 C ATOM 1094 O PRO A 69 9.182 -9.347 -8.573 1.00 0.00 O ATOM 1095 CB PRO A 69 10.562 -8.005 -6.545 1.00 0.00 C ATOM 1096 CG PRO A 69 11.522 -9.148 -6.509 1.00 0.00 C ATOM 1097 CD PRO A 69 10.945 -10.173 -5.562 1.00 0.00 C ATOM 0 HA PRO A 69 8.494 -7.953 -5.790 1.00 0.00 H new ATOM 0 HB2 PRO A 69 10.580 -7.504 -7.513 1.00 0.00 H new ATOM 0 HB3 PRO A 69 10.811 -7.256 -5.793 1.00 0.00 H new ATOM 0 HG2 PRO A 69 11.655 -9.573 -7.504 1.00 0.00 H new ATOM 0 HG3 PRO A 69 12.504 -8.818 -6.170 1.00 0.00 H new ATOM 0 HD2 PRO A 69 11.049 -11.184 -5.956 1.00 0.00 H new ATOM 0 HD3 PRO A 69 11.451 -10.154 -4.597 1.00 0.00 H new ATOM 1105 N SER A 70 7.199 -9.102 -7.557 1.00 0.00 N ATOM 1106 CA SER A 70 6.445 -9.568 -8.706 1.00 0.00 C ATOM 1107 C SER A 70 5.540 -8.466 -9.253 1.00 0.00 C ATOM 1108 O SER A 70 4.548 -8.086 -8.624 1.00 0.00 O ATOM 1109 CB SER A 70 5.624 -10.805 -8.326 1.00 0.00 C ATOM 1110 OG SER A 70 4.880 -11.295 -9.428 1.00 0.00 O ATOM 0 H SER A 70 6.628 -8.825 -6.759 1.00 0.00 H new ATOM 0 HA SER A 70 7.148 -9.840 -9.493 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.290 -11.586 -7.960 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.946 -10.556 -7.510 1.00 0.00 H new ATOM 0 HG SER A 70 4.369 -12.085 -9.153 1.00 0.00 H new ATOM 1116 N ARG A 71 5.900 -7.947 -10.421 1.00 0.00 N ATOM 1117 CA ARG A 71 5.101 -6.931 -11.091 1.00 0.00 C ATOM 1118 C ARG A 71 5.243 -7.087 -12.605 1.00 0.00 C ATOM 1119 O ARG A 71 6.275 -6.743 -13.176 1.00 0.00 O ATOM 1120 CB ARG A 71 5.545 -5.527 -10.660 1.00 0.00 C ATOM 1121 CG ARG A 71 4.515 -4.440 -10.939 1.00 0.00 C ATOM 1122 CD ARG A 71 3.292 -4.590 -10.046 1.00 0.00 C ATOM 1123 NE ARG A 71 2.299 -3.538 -10.282 1.00 0.00 N ATOM 1124 CZ ARG A 71 1.417 -3.120 -9.367 1.00 0.00 C ATOM 1125 NH1 ARG A 71 1.423 -3.637 -8.142 1.00 0.00 N ATOM 1126 NH2 ARG A 71 0.541 -2.169 -9.673 1.00 0.00 N ATOM 0 H ARG A 71 6.745 -8.216 -10.925 1.00 0.00 H new ATOM 0 HA ARG A 71 4.056 -7.060 -10.811 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.766 -5.538 -9.593 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.472 -5.276 -11.175 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.966 -3.460 -10.780 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.211 -4.485 -11.985 1.00 0.00 H new ATOM 0 HD2 ARG A 71 2.835 -5.564 -10.220 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.602 -4.566 -9.001 1.00 0.00 H new ATOM 0 HE ARG A 71 2.279 -3.097 -11.202 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.103 -4.356 -7.895 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.748 -3.314 -7.449 1.00 0.00 H new ATOM 0 HH21 ARG A 71 0.541 -1.757 -10.606 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.131 -1.851 -8.975 1.00 0.00 H new ATOM 1140 N HIS A 72 4.211 -7.627 -13.248 1.00 0.00 N ATOM 1141 CA HIS A 72 4.266 -7.891 -14.689 1.00 0.00 C ATOM 1142 C HIS A 72 4.178 -6.605 -15.502 1.00 0.00 C ATOM 1143 O HIS A 72 4.730 -6.529 -16.597 1.00 0.00 O ATOM 1144 CB HIS A 72 3.153 -8.853 -15.117 1.00 0.00 C ATOM 1145 CG HIS A 72 3.431 -10.288 -14.793 1.00 0.00 C ATOM 1146 ND1 HIS A 72 2.457 -11.262 -14.813 1.00 0.00 N ATOM 1147 CD2 HIS A 72 4.584 -10.919 -14.459 1.00 0.00 C ATOM 1148 CE1 HIS A 72 2.994 -12.425 -14.500 1.00 0.00 C ATOM 1149 NE2 HIS A 72 4.281 -12.246 -14.282 1.00 0.00 N ATOM 0 H HIS A 72 3.332 -7.890 -12.802 1.00 0.00 H new ATOM 0 HA HIS A 72 5.231 -8.356 -14.889 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.223 -8.555 -14.632 1.00 0.00 H new ATOM 0 HB3 HIS A 72 2.997 -8.757 -16.192 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.557 -10.463 -14.352 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.468 -13.366 -14.434 1.00 0.00 H new ATOM 0 HE2 HIS A 72 4.945 -12.976 -14.023 1.00 0.00 H new ATOM 1158 N LEU A 73 3.478 -5.606 -14.967 1.00 0.00 N ATOM 1159 CA LEU A 73 3.352 -4.311 -15.636 1.00 0.00 C ATOM 1160 C LEU A 73 4.734 -3.723 -15.895 1.00 0.00 C ATOM 1161 O LEU A 73 5.200 -3.671 -17.034 1.00 0.00 O ATOM 1162 CB LEU A 73 2.529 -3.343 -14.781 1.00 0.00 C ATOM 1163 CG LEU A 73 1.138 -3.842 -14.376 1.00 0.00 C ATOM 1164 CD1 LEU A 73 0.442 -2.814 -13.502 1.00 0.00 C ATOM 1165 CD2 LEU A 73 0.299 -4.152 -15.605 1.00 0.00 C ATOM 0 H LEU A 73 2.990 -5.668 -14.074 1.00 0.00 H new ATOM 0 HA LEU A 73 2.840 -4.460 -16.587 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.092 -3.116 -13.876 1.00 0.00 H new ATOM 0 HB3 LEU A 73 2.415 -2.408 -15.329 1.00 0.00 H new ATOM 0 HG LEU A 73 1.256 -4.762 -13.803 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.545 -3.183 -13.222 1.00 0.00 H new ATOM 0 HD12 LEU A 73 1.033 -2.641 -12.603 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.337 -1.879 -14.053 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.685 -4.505 -15.295 1.00 0.00 H new ATOM 0 HD22 LEU A 73 0.188 -3.250 -16.207 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.791 -4.924 -16.196 1.00 0.00 H new ATOM 1177 N ASN A 74 5.381 -3.287 -14.827 1.00 0.00 N ATOM 1178 CA ASN A 74 6.767 -2.860 -14.886 1.00 0.00 C ATOM 1179 C ASN A 74 7.417 -3.091 -13.532 1.00 0.00 C ATOM 1180 O ASN A 74 7.073 -2.435 -12.544 1.00 0.00 O ATOM 1181 CB ASN A 74 6.895 -1.391 -15.299 1.00 0.00 C ATOM 1182 CG ASN A 74 8.348 -0.963 -15.422 1.00 0.00 C ATOM 1183 OD1 ASN A 74 8.606 0.325 -15.263 1.00 0.00 O flip ATOM 1184 ND2 ASN A 74 9.227 -1.780 -15.690 1.00 0.00 N flip ATOM 0 H ASN A 74 4.962 -3.220 -13.900 1.00 0.00 H new ATOM 0 HA ASN A 74 7.277 -3.450 -15.647 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.389 -1.236 -16.252 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.392 -0.762 -14.565 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.990 -2.765 -15.805 1.00 0.00 H new ATOM 0 HD22 ASN A 74 10.194 -1.472 -15.797 1.00 0.00 H new ATOM 1191 N LYS A 75 8.334 -4.046 -13.500 1.00 0.00 N ATOM 1192 CA LYS A 75 9.001 -4.458 -12.271 1.00 0.00 C ATOM 1193 C LYS A 75 9.783 -3.303 -11.646 1.00 0.00 C ATOM 1194 O LYS A 75 9.835 -3.170 -10.426 1.00 0.00 O ATOM 1195 CB LYS A 75 9.925 -5.647 -12.583 1.00 0.00 C ATOM 1196 CG LYS A 75 10.593 -6.295 -11.372 1.00 0.00 C ATOM 1197 CD LYS A 75 11.897 -5.603 -10.986 1.00 0.00 C ATOM 1198 CE LYS A 75 12.901 -5.606 -12.132 1.00 0.00 C ATOM 1199 NZ LYS A 75 13.258 -6.984 -12.571 1.00 0.00 N ATOM 0 H LYS A 75 8.638 -4.559 -14.327 1.00 0.00 H new ATOM 0 HA LYS A 75 8.251 -4.762 -11.541 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.346 -6.407 -13.107 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.703 -5.310 -13.268 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.907 -6.269 -10.525 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.792 -7.344 -11.589 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.689 -4.575 -10.688 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.332 -6.104 -10.121 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.486 -5.055 -12.976 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.804 -5.081 -11.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.029 -6.938 -13.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.568 -7.541 -11.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.427 -7.437 -13.003 1.00 0.00 H new ATOM 1213 N ALA A 76 10.370 -2.457 -12.481 1.00 0.00 N ATOM 1214 CA ALA A 76 11.193 -1.360 -11.992 1.00 0.00 C ATOM 1215 C ALA A 76 10.386 -0.074 -11.812 1.00 0.00 C ATOM 1216 O ALA A 76 10.948 1.024 -11.809 1.00 0.00 O ATOM 1217 CB ALA A 76 12.356 -1.121 -12.938 1.00 0.00 C ATOM 0 H ALA A 76 10.292 -2.509 -13.497 1.00 0.00 H new ATOM 0 HA ALA A 76 11.574 -1.646 -11.012 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.966 -0.299 -12.564 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.964 -2.024 -13.003 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.974 -0.869 -13.927 1.00 0.00 H new ATOM 1223 N HIS A 77 9.073 -0.205 -11.658 1.00 0.00 N ATOM 1224 CA HIS A 77 8.226 0.955 -11.407 1.00 0.00 C ATOM 1225 C HIS A 77 7.453 0.775 -10.107 1.00 0.00 C ATOM 1226 O HIS A 77 7.587 1.569 -9.184 1.00 0.00 O ATOM 1227 CB HIS A 77 7.257 1.201 -12.567 1.00 0.00 C ATOM 1228 CG HIS A 77 6.495 2.491 -12.452 1.00 0.00 C ATOM 1229 ND1 HIS A 77 5.176 2.621 -12.828 1.00 0.00 N ATOM 1230 CD2 HIS A 77 6.879 3.713 -12.012 1.00 0.00 C ATOM 1231 CE1 HIS A 77 4.783 3.863 -12.624 1.00 0.00 C ATOM 1232 NE2 HIS A 77 5.796 4.547 -12.130 1.00 0.00 N ATOM 0 H HIS A 77 8.576 -1.094 -11.702 1.00 0.00 H new ATOM 0 HA HIS A 77 8.874 1.827 -11.319 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.816 1.201 -13.503 1.00 0.00 H new ATOM 0 HB3 HIS A 77 6.549 0.374 -12.619 1.00 0.00 H new ATOM 0 HD2 HIS A 77 7.856 3.981 -11.638 1.00 0.00 H new ATOM 0 HE1 HIS A 77 3.797 4.254 -12.827 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.778 5.535 -11.877 1.00 0.00 H new ATOM 1241 N TRP A 78 6.642 -0.269 -10.041 1.00 0.00 N ATOM 1242 CA TRP A 78 5.876 -0.556 -8.838 1.00 0.00 C ATOM 1243 C TRP A 78 6.572 -1.622 -8.010 1.00 0.00 C ATOM 1244 O TRP A 78 7.302 -2.456 -8.540 1.00 0.00 O ATOM 1245 CB TRP A 78 4.458 -1.026 -9.178 1.00 0.00 C ATOM 1246 CG TRP A 78 3.531 0.068 -9.608 1.00 0.00 C ATOM 1247 CD1 TRP A 78 3.448 0.630 -10.848 1.00 0.00 C ATOM 1248 CD2 TRP A 78 2.536 0.717 -8.804 1.00 0.00 C ATOM 1249 NE1 TRP A 78 2.468 1.591 -10.864 1.00 0.00 N ATOM 1250 CE2 TRP A 78 1.894 1.663 -9.622 1.00 0.00 C ATOM 1251 CE3 TRP A 78 2.126 0.591 -7.469 1.00 0.00 C ATOM 1252 CZ2 TRP A 78 0.861 2.475 -9.152 1.00 0.00 C ATOM 1253 CZ3 TRP A 78 1.104 1.398 -7.007 1.00 0.00 C ATOM 1254 CH2 TRP A 78 0.482 2.330 -7.845 1.00 0.00 C ATOM 0 H TRP A 78 6.497 -0.930 -10.804 1.00 0.00 H new ATOM 0 HA TRP A 78 5.808 0.368 -8.264 1.00 0.00 H new ATOM 0 HB2 TRP A 78 4.516 -1.770 -9.972 1.00 0.00 H new ATOM 0 HB3 TRP A 78 4.034 -1.523 -8.306 1.00 0.00 H new ATOM 0 HD1 TRP A 78 4.063 0.359 -11.693 1.00 0.00 H new ATOM 0 HE1 TRP A 78 2.209 2.160 -11.670 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.601 -0.124 -6.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 0.377 3.193 -9.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 0.780 1.308 -5.981 1.00 0.00 H new ATOM 0 HH2 TRP A 78 -0.313 2.947 -7.453 1.00 0.00 H new ATOM 1265 N SER A 79 6.327 -1.602 -6.715 1.00 0.00 N ATOM 1266 CA SER A 79 6.872 -2.604 -5.823 1.00 0.00 C ATOM 1267 C SER A 79 5.735 -3.244 -5.044 1.00 0.00 C ATOM 1268 O SER A 79 4.923 -2.548 -4.429 1.00 0.00 O ATOM 1269 CB SER A 79 7.881 -1.969 -4.870 1.00 0.00 C ATOM 1270 OG SER A 79 8.797 -1.149 -5.579 1.00 0.00 O ATOM 0 H SER A 79 5.750 -0.898 -6.255 1.00 0.00 H new ATOM 0 HA SER A 79 7.388 -3.369 -6.403 1.00 0.00 H new ATOM 0 HB2 SER A 79 7.357 -1.374 -4.122 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.423 -2.749 -4.335 1.00 0.00 H new ATOM 0 HG SER A 79 9.434 -0.750 -4.950 1.00 0.00 H new ATOM 1276 N THR A 80 5.666 -4.560 -5.096 1.00 0.00 N ATOM 1277 CA THR A 80 4.573 -5.291 -4.483 1.00 0.00 C ATOM 1278 C THR A 80 5.111 -6.306 -3.477 1.00 0.00 C ATOM 1279 O THR A 80 5.924 -7.162 -3.821 1.00 0.00 O ATOM 1280 CB THR A 80 3.730 -6.004 -5.561 1.00 0.00 C ATOM 1281 OG1 THR A 80 3.415 -5.080 -6.614 1.00 0.00 O ATOM 1282 CG2 THR A 80 2.444 -6.552 -4.970 1.00 0.00 C ATOM 0 H THR A 80 6.358 -5.148 -5.559 1.00 0.00 H new ATOM 0 HA THR A 80 3.935 -4.581 -3.956 1.00 0.00 H new ATOM 0 HB THR A 80 4.312 -6.836 -5.957 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.241 -4.795 -7.057 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.868 -7.050 -5.750 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.681 -7.267 -4.182 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.858 -5.733 -4.552 1.00 0.00 H new ATOM 1290 N VAL A 81 4.662 -6.191 -2.237 1.00 0.00 N ATOM 1291 CA VAL A 81 5.142 -7.044 -1.166 1.00 0.00 C ATOM 1292 C VAL A 81 4.112 -8.121 -0.841 1.00 0.00 C ATOM 1293 O VAL A 81 2.928 -7.830 -0.656 1.00 0.00 O ATOM 1294 CB VAL A 81 5.454 -6.224 0.104 1.00 0.00 C ATOM 1295 CG1 VAL A 81 6.096 -7.096 1.171 1.00 0.00 C ATOM 1296 CG2 VAL A 81 6.344 -5.033 -0.228 1.00 0.00 C ATOM 0 H VAL A 81 3.961 -5.509 -1.948 1.00 0.00 H new ATOM 0 HA VAL A 81 6.063 -7.517 -1.507 1.00 0.00 H new ATOM 0 HB VAL A 81 4.512 -5.846 0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 81 6.306 -6.494 2.055 1.00 0.00 H new ATOM 0 HG12 VAL A 81 5.417 -7.906 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 81 7.027 -7.514 0.788 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.551 -4.469 0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.281 -5.388 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.837 -4.389 -0.947 1.00 0.00 H new ATOM 1306 N TYR A 82 4.569 -9.362 -0.786 1.00 0.00 N ATOM 1307 CA TYR A 82 3.698 -10.491 -0.490 1.00 0.00 C ATOM 1308 C TYR A 82 3.789 -10.866 0.981 1.00 0.00 C ATOM 1309 O TYR A 82 4.883 -10.997 1.528 1.00 0.00 O ATOM 1310 CB TYR A 82 4.068 -11.690 -1.369 1.00 0.00 C ATOM 1311 CG TYR A 82 3.729 -11.487 -2.828 1.00 0.00 C ATOM 1312 CD1 TYR A 82 4.493 -10.650 -3.632 1.00 0.00 C ATOM 1313 CD2 TYR A 82 2.633 -12.118 -3.396 1.00 0.00 C ATOM 1314 CE1 TYR A 82 4.169 -10.444 -4.960 1.00 0.00 C ATOM 1315 CE2 TYR A 82 2.308 -11.923 -4.723 1.00 0.00 C ATOM 1316 CZ TYR A 82 3.076 -11.084 -5.500 1.00 0.00 C ATOM 1317 OH TYR A 82 2.735 -10.872 -6.819 1.00 0.00 O ATOM 0 H TYR A 82 5.545 -9.615 -0.943 1.00 0.00 H new ATOM 0 HA TYR A 82 2.670 -10.201 -0.707 1.00 0.00 H new ATOM 0 HB2 TYR A 82 5.136 -11.885 -1.275 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.549 -12.575 -1.002 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.355 -10.152 -3.212 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.024 -12.773 -2.790 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.769 -9.785 -5.570 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.454 -12.427 -5.151 1.00 0.00 H new ATOM 0 HH TYR A 82 2.917 -11.683 -7.338 1.00 0.00 H new ATOM 1327 N LEU A 83 2.637 -11.053 1.610 1.00 0.00 N ATOM 1328 CA LEU A 83 2.577 -11.368 3.036 1.00 0.00 C ATOM 1329 C LEU A 83 2.799 -12.859 3.274 1.00 0.00 C ATOM 1330 O LEU A 83 2.137 -13.475 4.111 1.00 0.00 O ATOM 1331 CB LEU A 83 1.222 -10.949 3.606 1.00 0.00 C ATOM 1332 CG LEU A 83 0.884 -9.465 3.466 1.00 0.00 C ATOM 1333 CD1 LEU A 83 -0.489 -9.182 4.048 1.00 0.00 C ATOM 1334 CD2 LEU A 83 1.939 -8.604 4.147 1.00 0.00 C ATOM 0 H LEU A 83 1.726 -10.992 1.155 1.00 0.00 H new ATOM 0 HA LEU A 83 3.369 -10.816 3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.443 -11.530 3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.194 -11.213 4.663 1.00 0.00 H new ATOM 0 HG LEU A 83 0.873 -9.213 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.718 -8.122 3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.238 -9.770 3.516 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.499 -9.451 5.104 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.678 -7.552 4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.985 -8.855 5.207 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.910 -8.788 3.688 1.00 0.00 H new ATOM 1346 N ASP A 84 3.756 -13.429 2.559 1.00 0.00 N ATOM 1347 CA ASP A 84 4.029 -14.856 2.653 1.00 0.00 C ATOM 1348 C ASP A 84 5.027 -15.143 3.772 1.00 0.00 C ATOM 1349 O ASP A 84 6.192 -15.452 3.525 1.00 0.00 O ATOM 1350 CB ASP A 84 4.547 -15.394 1.313 1.00 0.00 C ATOM 1351 CG ASP A 84 4.797 -16.890 1.340 1.00 0.00 C ATOM 1352 OD1 ASP A 84 3.851 -17.655 1.625 1.00 0.00 O ATOM 1353 OD2 ASP A 84 5.932 -17.312 1.049 1.00 0.00 O ATOM 0 H ASP A 84 4.357 -12.926 1.907 1.00 0.00 H new ATOM 0 HA ASP A 84 3.097 -15.368 2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.824 -15.165 0.530 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.472 -14.880 1.053 1.00 0.00 H new ATOM 1358 N GLY A 85 4.569 -14.967 5.011 1.00 0.00 N ATOM 1359 CA GLY A 85 5.371 -15.312 6.176 1.00 0.00 C ATOM 1360 C GLY A 85 6.462 -14.302 6.495 1.00 0.00 C ATOM 1361 O GLY A 85 6.764 -14.063 7.665 1.00 0.00 O ATOM 0 H GLY A 85 3.648 -14.588 5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 85 4.715 -15.408 7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 85 5.829 -16.288 6.013 1.00 0.00 H new ATOM 1365 N SER A 86 7.045 -13.717 5.460 1.00 0.00 N ATOM 1366 CA SER A 86 8.178 -12.811 5.600 1.00 0.00 C ATOM 1367 C SER A 86 7.857 -11.599 6.477 1.00 0.00 C ATOM 1368 O SER A 86 8.698 -11.156 7.263 1.00 0.00 O ATOM 1369 CB SER A 86 8.616 -12.344 4.215 1.00 0.00 C ATOM 1370 OG SER A 86 8.798 -13.449 3.346 1.00 0.00 O ATOM 0 H SER A 86 6.746 -13.857 4.495 1.00 0.00 H new ATOM 0 HA SER A 86 8.981 -13.358 6.094 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.868 -11.669 3.800 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.546 -11.780 4.293 1.00 0.00 H new ATOM 0 HG SER A 86 9.657 -13.879 3.539 1.00 0.00 H new ATOM 1376 N LEU A 87 6.646 -11.073 6.354 1.00 0.00 N ATOM 1377 CA LEU A 87 6.285 -9.841 7.042 1.00 0.00 C ATOM 1378 C LEU A 87 5.472 -10.129 8.298 1.00 0.00 C ATOM 1379 O LEU A 87 4.388 -10.708 8.224 1.00 0.00 O ATOM 1380 CB LEU A 87 5.489 -8.905 6.117 1.00 0.00 C ATOM 1381 CG LEU A 87 6.265 -8.306 4.935 1.00 0.00 C ATOM 1382 CD1 LEU A 87 7.577 -7.693 5.403 1.00 0.00 C ATOM 1383 CD2 LEU A 87 6.512 -9.349 3.854 1.00 0.00 C ATOM 0 H LEU A 87 5.900 -11.477 5.787 1.00 0.00 H new ATOM 0 HA LEU A 87 7.214 -9.348 7.330 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.635 -9.456 5.723 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.091 -8.086 6.717 1.00 0.00 H new ATOM 0 HG LEU A 87 5.654 -7.514 4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.109 -7.275 4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.372 -6.902 6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.191 -8.462 5.872 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.063 -8.896 3.030 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.092 -10.173 4.269 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.557 -9.726 3.488 1.00 0.00 H new ATOM 1395 N PRO A 88 6.002 -9.742 9.466 1.00 0.00 N ATOM 1396 CA PRO A 88 5.278 -9.828 10.735 1.00 0.00 C ATOM 1397 C PRO A 88 4.092 -8.867 10.753 1.00 0.00 C ATOM 1398 O PRO A 88 4.067 -7.891 9.999 1.00 0.00 O ATOM 1399 CB PRO A 88 6.320 -9.420 11.787 1.00 0.00 C ATOM 1400 CG PRO A 88 7.637 -9.490 11.090 1.00 0.00 C ATOM 1401 CD PRO A 88 7.353 -9.196 9.647 1.00 0.00 C ATOM 0 HA PRO A 88 4.865 -10.821 10.912 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.127 -8.415 12.162 1.00 0.00 H new ATOM 0 HB3 PRO A 88 6.294 -10.091 12.646 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.338 -8.766 11.506 1.00 0.00 H new ATOM 0 HG3 PRO A 88 8.089 -10.475 11.207 1.00 0.00 H new ATOM 0 HD2 PRO A 88 7.389 -8.127 9.437 1.00 0.00 H new ATOM 0 HD3 PRO A 88 8.075 -9.675 8.986 1.00 0.00 H new ATOM 1409 N ASP A 89 3.120 -9.124 11.621 1.00 0.00 N ATOM 1410 CA ASP A 89 1.890 -8.336 11.639 1.00 0.00 C ATOM 1411 C ASP A 89 2.181 -6.882 12.012 1.00 0.00 C ATOM 1412 O ASP A 89 1.505 -5.970 11.542 1.00 0.00 O ATOM 1413 CB ASP A 89 0.849 -8.944 12.594 1.00 0.00 C ATOM 1414 CG ASP A 89 1.054 -8.559 14.050 1.00 0.00 C ATOM 1415 OD1 ASP A 89 2.011 -9.056 14.675 1.00 0.00 O ATOM 1416 OD2 ASP A 89 0.236 -7.775 14.580 1.00 0.00 O ATOM 0 H ASP A 89 3.158 -9.867 12.318 1.00 0.00 H new ATOM 0 HA ASP A 89 1.471 -8.355 10.633 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -0.146 -8.628 12.281 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.880 -10.030 12.507 1.00 0.00 H new ATOM 1421 N SER A 90 3.214 -6.677 12.822 1.00 0.00 N ATOM 1422 CA SER A 90 3.623 -5.337 13.226 1.00 0.00 C ATOM 1423 C SER A 90 4.084 -4.530 12.012 1.00 0.00 C ATOM 1424 O SER A 90 3.773 -3.345 11.884 1.00 0.00 O ATOM 1425 CB SER A 90 4.742 -5.428 14.268 1.00 0.00 C ATOM 1426 OG SER A 90 5.107 -4.149 14.760 1.00 0.00 O ATOM 0 H SER A 90 3.786 -7.426 13.213 1.00 0.00 H new ATOM 0 HA SER A 90 2.769 -4.825 13.670 1.00 0.00 H new ATOM 0 HB2 SER A 90 4.417 -6.057 15.097 1.00 0.00 H new ATOM 0 HB3 SER A 90 5.614 -5.910 13.825 1.00 0.00 H new ATOM 0 HG SER A 90 5.822 -4.245 15.423 1.00 0.00 H new ATOM 1432 N GLN A 91 4.798 -5.189 11.105 1.00 0.00 N ATOM 1433 CA GLN A 91 5.312 -4.542 9.914 1.00 0.00 C ATOM 1434 C GLN A 91 4.186 -4.188 8.953 1.00 0.00 C ATOM 1435 O GLN A 91 4.254 -3.179 8.253 1.00 0.00 O ATOM 1436 CB GLN A 91 6.327 -5.454 9.231 1.00 0.00 C ATOM 1437 CG GLN A 91 7.662 -5.521 9.949 1.00 0.00 C ATOM 1438 CD GLN A 91 8.330 -4.164 10.050 1.00 0.00 C ATOM 1439 OE1 GLN A 91 8.159 -3.308 9.185 1.00 0.00 O ATOM 1440 NE2 GLN A 91 9.090 -3.958 11.113 1.00 0.00 N ATOM 0 H GLN A 91 5.033 -6.179 11.178 1.00 0.00 H new ATOM 0 HA GLN A 91 5.803 -3.614 10.208 1.00 0.00 H new ATOM 0 HB2 GLN A 91 5.911 -6.459 9.161 1.00 0.00 H new ATOM 0 HB3 GLN A 91 6.489 -5.104 8.211 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.514 -5.926 10.950 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.322 -6.210 9.421 1.00 0.00 H new ATOM 0 HE21 GLN A 91 9.206 -4.696 11.808 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.560 -3.062 11.238 1.00 0.00 H new ATOM 1449 N ILE A 92 3.148 -5.015 8.933 1.00 0.00 N ATOM 1450 CA ILE A 92 2.003 -4.779 8.061 1.00 0.00 C ATOM 1451 C ILE A 92 1.358 -3.428 8.378 1.00 0.00 C ATOM 1452 O ILE A 92 0.950 -2.697 7.472 1.00 0.00 O ATOM 1453 CB ILE A 92 0.953 -5.905 8.188 1.00 0.00 C ATOM 1454 CG1 ILE A 92 1.599 -7.271 7.920 1.00 0.00 C ATOM 1455 CG2 ILE A 92 -0.198 -5.667 7.220 1.00 0.00 C ATOM 1456 CD1 ILE A 92 0.646 -8.437 8.075 1.00 0.00 C ATOM 0 H ILE A 92 3.075 -5.854 9.509 1.00 0.00 H new ATOM 0 HA ILE A 92 2.369 -4.770 7.034 1.00 0.00 H new ATOM 0 HB ILE A 92 0.560 -5.899 9.205 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.006 -7.278 6.909 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.438 -7.406 8.602 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -0.930 -6.468 7.321 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.672 -4.712 7.446 1.00 0.00 H new ATOM 0 HG23 ILE A 92 0.183 -5.650 6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.174 -9.368 7.870 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.258 -8.457 9.093 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.181 -8.327 7.373 1.00 0.00 H new ATOM 1468 N TYR A 93 1.294 -3.092 9.666 1.00 0.00 N ATOM 1469 CA TYR A 93 0.765 -1.799 10.089 1.00 0.00 C ATOM 1470 C TYR A 93 1.638 -0.670 9.559 1.00 0.00 C ATOM 1471 O TYR A 93 1.135 0.305 8.998 1.00 0.00 O ATOM 1472 CB TYR A 93 0.695 -1.702 11.616 1.00 0.00 C ATOM 1473 CG TYR A 93 -0.244 -2.691 12.265 1.00 0.00 C ATOM 1474 CD1 TYR A 93 -1.618 -2.605 12.079 1.00 0.00 C ATOM 1475 CD2 TYR A 93 0.246 -3.710 13.069 1.00 0.00 C ATOM 1476 CE1 TYR A 93 -2.475 -3.509 12.677 1.00 0.00 C ATOM 1477 CE2 TYR A 93 -0.604 -4.616 13.669 1.00 0.00 C ATOM 1478 CZ TYR A 93 -1.961 -4.513 13.471 1.00 0.00 C ATOM 1479 OH TYR A 93 -2.809 -5.415 14.073 1.00 0.00 O ATOM 0 H TYR A 93 1.600 -3.695 10.430 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.242 -1.707 9.683 1.00 0.00 H new ATOM 0 HB2 TYR A 93 1.695 -1.850 12.023 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.385 -0.693 11.889 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.022 -1.820 11.458 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.311 -3.795 13.228 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.541 -3.430 12.524 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.205 -5.403 14.292 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.032 -6.128 13.439 1.00 0.00 H new ATOM 1489 N TYR A 94 2.949 -0.821 9.733 1.00 0.00 N ATOM 1490 CA TYR A 94 3.902 0.201 9.321 1.00 0.00 C ATOM 1491 C TYR A 94 3.866 0.410 7.812 1.00 0.00 C ATOM 1492 O TYR A 94 3.841 1.545 7.345 1.00 0.00 O ATOM 1493 CB TYR A 94 5.324 -0.164 9.763 1.00 0.00 C ATOM 1494 CG TYR A 94 6.368 0.821 9.284 1.00 0.00 C ATOM 1495 CD1 TYR A 94 6.510 2.061 9.894 1.00 0.00 C ATOM 1496 CD2 TYR A 94 7.205 0.515 8.217 1.00 0.00 C ATOM 1497 CE1 TYR A 94 7.457 2.967 9.456 1.00 0.00 C ATOM 1498 CE2 TYR A 94 8.156 1.415 7.774 1.00 0.00 C ATOM 1499 CZ TYR A 94 8.278 2.640 8.396 1.00 0.00 C ATOM 1500 OH TYR A 94 9.224 3.541 7.960 1.00 0.00 O ATOM 0 H TYR A 94 3.374 -1.645 10.158 1.00 0.00 H new ATOM 0 HA TYR A 94 3.612 1.132 9.808 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.357 -0.218 10.851 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.571 -1.157 9.387 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.870 2.321 10.724 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.111 -0.442 7.726 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.554 3.927 9.941 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.800 1.160 6.945 1.00 0.00 H new ATOM 0 HH TYR A 94 9.009 3.825 7.047 1.00 0.00 H new ATOM 1510 N LEU A 95 3.858 -0.685 7.057 1.00 0.00 N ATOM 1511 CA LEU A 95 3.872 -0.615 5.599 1.00 0.00 C ATOM 1512 C LEU A 95 2.713 0.230 5.075 1.00 0.00 C ATOM 1513 O LEU A 95 2.922 1.200 4.346 1.00 0.00 O ATOM 1514 CB LEU A 95 3.808 -2.023 4.993 1.00 0.00 C ATOM 1515 CG LEU A 95 5.012 -2.921 5.288 1.00 0.00 C ATOM 1516 CD1 LEU A 95 4.823 -4.287 4.645 1.00 0.00 C ATOM 1517 CD2 LEU A 95 6.294 -2.271 4.791 1.00 0.00 C ATOM 0 H LEU A 95 3.842 -1.633 7.432 1.00 0.00 H new ATOM 0 HA LEU A 95 4.806 -0.140 5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 95 2.909 -2.518 5.360 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.702 -1.930 3.912 1.00 0.00 H new ATOM 0 HG LEU A 95 5.090 -3.054 6.367 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.687 -4.915 4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 95 3.924 -4.756 5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.723 -4.170 3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.140 -2.923 5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.227 -2.110 3.715 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.435 -1.314 5.293 1.00 0.00 H new ATOM 1529 N VAL A 96 1.500 -0.127 5.475 1.00 0.00 N ATOM 1530 CA VAL A 96 0.304 0.562 5.001 1.00 0.00 C ATOM 1531 C VAL A 96 0.307 2.027 5.433 1.00 0.00 C ATOM 1532 O VAL A 96 0.007 2.923 4.638 1.00 0.00 O ATOM 1533 CB VAL A 96 -0.982 -0.125 5.511 1.00 0.00 C ATOM 1534 CG1 VAL A 96 -2.223 0.593 4.999 1.00 0.00 C ATOM 1535 CG2 VAL A 96 -1.003 -1.587 5.095 1.00 0.00 C ATOM 0 H VAL A 96 1.317 -0.890 6.127 1.00 0.00 H new ATOM 0 HA VAL A 96 0.317 0.513 3.912 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.986 -0.072 6.600 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.115 0.089 5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.216 1.625 5.348 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -2.228 0.579 3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.916 -2.057 5.462 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.971 -1.656 4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.137 -2.098 5.517 1.00 0.00 H new ATOM 1545 N ASP A 97 0.671 2.270 6.688 1.00 0.00 N ATOM 1546 CA ASP A 97 0.688 3.627 7.223 1.00 0.00 C ATOM 1547 C ASP A 97 1.785 4.458 6.567 1.00 0.00 C ATOM 1548 O ASP A 97 1.606 5.650 6.336 1.00 0.00 O ATOM 1549 CB ASP A 97 0.873 3.617 8.740 1.00 0.00 C ATOM 1550 CG ASP A 97 0.856 5.013 9.336 1.00 0.00 C ATOM 1551 OD1 ASP A 97 -0.235 5.620 9.416 1.00 0.00 O ATOM 1552 OD2 ASP A 97 1.927 5.504 9.737 1.00 0.00 O ATOM 0 H ASP A 97 0.957 1.549 7.351 1.00 0.00 H new ATOM 0 HA ASP A 97 -0.276 4.082 6.996 1.00 0.00 H new ATOM 0 HB2 ASP A 97 0.082 3.021 9.195 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.818 3.132 8.985 1.00 0.00 H new ATOM 1557 N ALA A 98 2.910 3.822 6.254 1.00 0.00 N ATOM 1558 CA ALA A 98 4.016 4.498 5.584 1.00 0.00 C ATOM 1559 C ALA A 98 3.559 5.086 4.256 1.00 0.00 C ATOM 1560 O ALA A 98 3.703 6.285 4.021 1.00 0.00 O ATOM 1561 CB ALA A 98 5.185 3.545 5.373 1.00 0.00 C ATOM 0 H ALA A 98 3.080 2.836 6.454 1.00 0.00 H new ATOM 0 HA ALA A 98 4.353 5.313 6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.998 4.071 4.872 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.532 3.176 6.338 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.863 2.705 4.758 1.00 0.00 H new ATOM 1567 N SER A 99 2.982 4.243 3.404 1.00 0.00 N ATOM 1568 CA SER A 99 2.468 4.695 2.116 1.00 0.00 C ATOM 1569 C SER A 99 1.367 5.738 2.309 1.00 0.00 C ATOM 1570 O SER A 99 1.198 6.644 1.492 1.00 0.00 O ATOM 1571 CB SER A 99 1.955 3.503 1.305 1.00 0.00 C ATOM 1572 OG SER A 99 1.244 2.588 2.126 1.00 0.00 O ATOM 0 H SER A 99 2.859 3.246 3.582 1.00 0.00 H new ATOM 0 HA SER A 99 3.281 5.165 1.562 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.305 3.857 0.505 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.795 2.994 0.832 1.00 0.00 H new ATOM 0 HG SER A 99 0.852 3.067 2.886 1.00 0.00 H new ATOM 1578 N TYR A 100 0.636 5.612 3.410 1.00 0.00 N ATOM 1579 CA TYR A 100 -0.403 6.571 3.754 1.00 0.00 C ATOM 1580 C TYR A 100 0.217 7.931 4.085 1.00 0.00 C ATOM 1581 O TYR A 100 -0.243 8.963 3.598 1.00 0.00 O ATOM 1582 CB TYR A 100 -1.226 6.042 4.935 1.00 0.00 C ATOM 1583 CG TYR A 100 -2.260 7.013 5.465 1.00 0.00 C ATOM 1584 CD1 TYR A 100 -3.461 7.219 4.796 1.00 0.00 C ATOM 1585 CD2 TYR A 100 -2.040 7.709 6.646 1.00 0.00 C ATOM 1586 CE1 TYR A 100 -4.408 8.095 5.289 1.00 0.00 C ATOM 1587 CE2 TYR A 100 -2.980 8.586 7.142 1.00 0.00 C ATOM 1588 CZ TYR A 100 -4.162 8.774 6.463 1.00 0.00 C ATOM 1589 OH TYR A 100 -5.098 9.644 6.962 1.00 0.00 O ATOM 0 H TYR A 100 0.745 4.852 4.081 1.00 0.00 H new ATOM 0 HA TYR A 100 -1.067 6.703 2.899 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -1.730 5.126 4.629 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -0.547 5.776 5.745 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -3.656 6.686 3.877 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -1.116 7.560 7.185 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -5.336 8.247 4.758 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -2.790 9.123 8.059 1.00 0.00 H new ATOM 0 HH TYR A 100 -5.762 9.843 6.269 1.00 0.00 H new ATOM 1599 N GLN A 101 1.274 7.917 4.896 1.00 0.00 N ATOM 1600 CA GLN A 101 1.981 9.139 5.271 1.00 0.00 C ATOM 1601 C GLN A 101 2.506 9.855 4.031 1.00 0.00 C ATOM 1602 O GLN A 101 2.376 11.075 3.904 1.00 0.00 O ATOM 1603 CB GLN A 101 3.151 8.821 6.210 1.00 0.00 C ATOM 1604 CG GLN A 101 2.743 8.282 7.573 1.00 0.00 C ATOM 1605 CD GLN A 101 1.836 9.229 8.336 1.00 0.00 C ATOM 1606 OE1 GLN A 101 0.537 9.034 8.202 1.00 0.00 O flip ATOM 1607 NE2 GLN A 101 2.301 10.116 9.053 1.00 0.00 N flip ATOM 0 H GLN A 101 1.661 7.067 5.307 1.00 0.00 H new ATOM 0 HA GLN A 101 1.276 9.789 5.789 1.00 0.00 H new ATOM 0 HB2 GLN A 101 3.800 8.092 5.725 1.00 0.00 H new ATOM 0 HB3 GLN A 101 3.740 9.727 6.354 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.235 7.327 7.443 1.00 0.00 H new ATOM 0 HG3 GLN A 101 3.638 8.089 8.164 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.311 10.233 9.129 1.00 0.00 H new ATOM 0 HE22 GLN A 101 1.676 10.733 9.571 1.00 0.00 H new ATOM 1616 N GLN A 102 3.090 9.081 3.122 1.00 0.00 N ATOM 1617 CA GLN A 102 3.628 9.617 1.875 1.00 0.00 C ATOM 1618 C GLN A 102 2.524 10.301 1.071 1.00 0.00 C ATOM 1619 O GLN A 102 2.695 11.425 0.597 1.00 0.00 O ATOM 1620 CB GLN A 102 4.267 8.498 1.043 1.00 0.00 C ATOM 1621 CG GLN A 102 5.245 7.638 1.827 1.00 0.00 C ATOM 1622 CD GLN A 102 5.828 6.502 1.005 1.00 0.00 C ATOM 1623 OE1 GLN A 102 5.220 6.036 0.045 1.00 0.00 O ATOM 1624 NE2 GLN A 102 6.996 6.019 1.404 1.00 0.00 N ATOM 0 H GLN A 102 3.204 8.073 3.226 1.00 0.00 H new ATOM 0 HA GLN A 102 4.394 10.353 2.119 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.479 7.862 0.640 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.786 8.940 0.193 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.056 8.265 2.197 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.739 7.225 2.699 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.472 6.432 2.206 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.419 5.234 0.909 1.00 0.00 H new ATOM 1633 N ALA A 103 1.386 9.625 0.945 1.00 0.00 N ATOM 1634 CA ALA A 103 0.245 10.160 0.209 1.00 0.00 C ATOM 1635 C ALA A 103 -0.264 11.454 0.836 1.00 0.00 C ATOM 1636 O ALA A 103 -0.534 12.427 0.133 1.00 0.00 O ATOM 1637 CB ALA A 103 -0.873 9.133 0.147 1.00 0.00 C ATOM 0 H ALA A 103 1.229 8.700 1.346 1.00 0.00 H new ATOM 0 HA ALA A 103 0.578 10.385 -0.804 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.717 9.547 -0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.515 8.235 -0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -1.190 8.879 1.158 1.00 0.00 H new ATOM 1643 N VAL A 104 -0.393 11.462 2.161 1.00 0.00 N ATOM 1644 CA VAL A 104 -0.849 12.650 2.880 1.00 0.00 C ATOM 1645 C VAL A 104 0.109 13.820 2.667 1.00 0.00 C ATOM 1646 O VAL A 104 -0.316 14.962 2.493 1.00 0.00 O ATOM 1647 CB VAL A 104 -1.005 12.376 4.396 1.00 0.00 C ATOM 1648 CG1 VAL A 104 -1.394 13.642 5.148 1.00 0.00 C ATOM 1649 CG2 VAL A 104 -2.036 11.284 4.636 1.00 0.00 C ATOM 0 H VAL A 104 -0.189 10.661 2.758 1.00 0.00 H new ATOM 0 HA VAL A 104 -1.827 12.911 2.475 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.040 12.040 4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.496 13.418 6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -0.622 14.399 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -2.343 14.017 4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.133 11.104 5.707 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.999 11.597 4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.716 10.367 4.142 1.00 0.00 H new ATOM 1659 N ASN A 105 1.399 13.526 2.652 1.00 0.00 N ATOM 1660 CA ASN A 105 2.412 14.554 2.444 1.00 0.00 C ATOM 1661 C ASN A 105 2.365 15.107 1.025 1.00 0.00 C ATOM 1662 O ASN A 105 2.882 16.189 0.758 1.00 0.00 O ATOM 1663 CB ASN A 105 3.807 14.009 2.749 1.00 0.00 C ATOM 1664 CG ASN A 105 4.203 14.207 4.200 1.00 0.00 C ATOM 1665 OD1 ASN A 105 4.807 15.220 4.554 1.00 0.00 O ATOM 1666 ND2 ASN A 105 3.861 13.251 5.053 1.00 0.00 N ATOM 0 H ASN A 105 1.772 12.585 2.781 1.00 0.00 H new ATOM 0 HA ASN A 105 2.193 15.370 3.132 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.839 12.946 2.509 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.535 14.503 2.106 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.098 13.340 6.041 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.361 12.426 4.721 1.00 0.00 H new ATOM 1673 N LEU A 106 1.741 14.370 0.118 1.00 0.00 N ATOM 1674 CA LEU A 106 1.606 14.816 -1.263 1.00 0.00 C ATOM 1675 C LEU A 106 0.347 15.662 -1.443 1.00 0.00 C ATOM 1676 O LEU A 106 0.150 16.287 -2.486 1.00 0.00 O ATOM 1677 CB LEU A 106 1.562 13.614 -2.210 1.00 0.00 C ATOM 1678 CG LEU A 106 2.820 12.746 -2.231 1.00 0.00 C ATOM 1679 CD1 LEU A 106 2.628 11.554 -3.157 1.00 0.00 C ATOM 1680 CD2 LEU A 106 4.025 13.565 -2.665 1.00 0.00 C ATOM 0 H LEU A 106 1.320 13.461 0.312 1.00 0.00 H new ATOM 0 HA LEU A 106 2.474 15.429 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 106 0.714 12.987 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.375 13.977 -3.221 1.00 0.00 H new ATOM 0 HG LEU A 106 2.999 12.375 -1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.533 10.946 -3.160 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.789 10.953 -2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.425 11.908 -4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.912 12.931 -2.674 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.853 13.963 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.175 14.389 -1.967 1.00 0.00 H new ATOM 1692 N LEU A 107 -0.503 15.676 -0.426 1.00 0.00 N ATOM 1693 CA LEU A 107 -1.755 16.419 -0.484 1.00 0.00 C ATOM 1694 C LEU A 107 -1.535 17.874 -0.083 1.00 0.00 C ATOM 1695 O LEU A 107 -0.665 18.171 0.732 1.00 0.00 O ATOM 1696 CB LEU A 107 -2.802 15.773 0.430 1.00 0.00 C ATOM 1697 CG LEU A 107 -3.201 14.342 0.057 1.00 0.00 C ATOM 1698 CD1 LEU A 107 -4.178 13.781 1.075 1.00 0.00 C ATOM 1699 CD2 LEU A 107 -3.807 14.305 -1.339 1.00 0.00 C ATOM 0 H LEU A 107 -0.348 15.180 0.452 1.00 0.00 H new ATOM 0 HA LEU A 107 -2.121 16.393 -1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -2.419 15.772 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.697 16.395 0.427 1.00 0.00 H new ATOM 0 HG LEU A 107 -2.305 13.722 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.451 12.764 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -3.712 13.773 2.060 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.073 14.403 1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.085 13.281 -1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.693 14.939 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.077 14.669 -2.062 1.00 0.00 H new ATOM 1711 N PRO A 108 -2.317 18.800 -0.660 1.00 0.00 N ATOM 1712 CA PRO A 108 -2.229 20.230 -0.333 1.00 0.00 C ATOM 1713 C PRO A 108 -2.723 20.543 1.071 1.00 0.00 C ATOM 1714 O PRO A 108 -3.319 19.694 1.743 1.00 0.00 O ATOM 1715 CB PRO A 108 -3.134 20.890 -1.375 1.00 0.00 C ATOM 1716 CG PRO A 108 -4.100 19.826 -1.768 1.00 0.00 C ATOM 1717 CD PRO A 108 -3.345 18.529 -1.684 1.00 0.00 C ATOM 0 HA PRO A 108 -1.198 20.585 -0.354 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.648 21.757 -0.960 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -2.560 21.240 -2.233 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -4.964 19.818 -1.103 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -4.476 19.994 -2.777 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -3.995 17.704 -1.393 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -2.898 18.261 -2.641 1.00 0.00 H new ATOM 1725 N GLU A 109 -2.481 21.780 1.484 1.00 0.00 N ATOM 1726 CA GLU A 109 -2.849 22.275 2.782 1.00 0.00 C ATOM 1727 C GLU A 109 -4.308 21.971 3.111 1.00 0.00 C ATOM 1728 O GLU A 109 -4.617 21.510 4.208 1.00 0.00 O ATOM 1729 CB GLU A 109 -2.612 23.772 2.772 1.00 0.00 C ATOM 1730 CG GLU A 109 -1.148 24.176 2.785 1.00 0.00 C ATOM 1731 CD GLU A 109 -0.499 23.977 4.136 1.00 0.00 C ATOM 1732 OE1 GLU A 109 -0.678 24.846 5.018 1.00 0.00 O ATOM 1733 OE2 GLU A 109 0.201 22.962 4.326 1.00 0.00 O ATOM 0 H GLU A 109 -2.012 22.475 0.904 1.00 0.00 H new ATOM 0 HA GLU A 109 -2.249 21.785 3.549 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -3.086 24.197 1.887 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -3.105 24.211 3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -0.608 23.594 2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -1.062 25.223 2.496 1.00 0.00 H new ATOM 1740 N GLU A 110 -5.185 22.212 2.139 1.00 0.00 N ATOM 1741 CA GLU A 110 -6.615 21.992 2.294 1.00 0.00 C ATOM 1742 C GLU A 110 -6.914 20.617 2.887 1.00 0.00 C ATOM 1743 O GLU A 110 -7.637 20.500 3.878 1.00 0.00 O ATOM 1744 CB GLU A 110 -7.292 22.124 0.935 1.00 0.00 C ATOM 1745 CG GLU A 110 -8.788 21.888 0.976 1.00 0.00 C ATOM 1746 CD GLU A 110 -9.415 21.907 -0.401 1.00 0.00 C ATOM 1747 OE1 GLU A 110 -9.208 20.945 -1.166 1.00 0.00 O ATOM 1748 OE2 GLU A 110 -10.106 22.888 -0.735 1.00 0.00 O ATOM 0 H GLU A 110 -4.920 22.566 1.220 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.003 22.742 2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.101 23.121 0.539 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.840 21.414 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -8.988 20.927 1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -9.256 22.653 1.596 1.00 0.00 H new ATOM 1755 N LYS A 111 -6.340 19.584 2.287 1.00 0.00 N ATOM 1756 CA LYS A 111 -6.579 18.219 2.733 1.00 0.00 C ATOM 1757 C LYS A 111 -5.859 17.927 4.041 1.00 0.00 C ATOM 1758 O LYS A 111 -6.459 17.397 4.973 1.00 0.00 O ATOM 1759 CB LYS A 111 -6.147 17.206 1.669 1.00 0.00 C ATOM 1760 CG LYS A 111 -7.266 16.776 0.732 1.00 0.00 C ATOM 1761 CD LYS A 111 -7.713 17.902 -0.186 1.00 0.00 C ATOM 1762 CE LYS A 111 -8.937 17.498 -0.990 1.00 0.00 C ATOM 1763 NZ LYS A 111 -9.258 18.477 -2.059 1.00 0.00 N ATOM 0 H LYS A 111 -5.707 19.665 1.492 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.652 18.121 2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -5.339 17.637 1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.743 16.323 2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -6.929 15.932 0.131 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.116 16.430 1.320 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -7.939 18.789 0.405 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -6.901 18.168 -0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.768 16.518 -1.437 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -9.792 17.400 -0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -10.290 18.541 -2.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -8.880 19.411 -1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.829 18.166 -2.954 1.00 0.00 H new ATOM 1777 N ARG A 112 -4.581 18.290 4.116 1.00 0.00 N ATOM 1778 CA ARG A 112 -3.757 17.943 5.268 1.00 0.00 C ATOM 1779 C ARG A 112 -4.328 18.505 6.569 1.00 0.00 C ATOM 1780 O ARG A 112 -4.298 17.834 7.601 1.00 0.00 O ATOM 1781 CB ARG A 112 -2.317 18.416 5.067 1.00 0.00 C ATOM 1782 CG ARG A 112 -1.613 17.718 3.915 1.00 0.00 C ATOM 1783 CD ARG A 112 -0.107 17.940 3.945 1.00 0.00 C ATOM 1784 NE ARG A 112 0.263 19.350 3.821 1.00 0.00 N ATOM 1785 CZ ARG A 112 1.203 19.799 2.985 1.00 0.00 C ATOM 1786 NH1 ARG A 112 1.803 18.961 2.147 1.00 0.00 N ATOM 1787 NH2 ARG A 112 1.527 21.087 2.969 1.00 0.00 N ATOM 0 H ARG A 112 -4.096 18.823 3.394 1.00 0.00 H new ATOM 0 HA ARG A 112 -3.761 16.856 5.351 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -2.316 19.491 4.887 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -1.754 18.246 5.985 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.822 16.649 3.957 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -2.014 18.084 2.970 1.00 0.00 H new ATOM 0 HD2 ARG A 112 0.295 17.545 4.878 1.00 0.00 H new ATOM 0 HD3 ARG A 112 0.355 17.376 3.135 1.00 0.00 H new ATOM 0 HE ARG A 112 -0.224 20.029 4.406 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.546 17.974 2.142 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.521 19.305 1.509 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.057 21.739 3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.246 21.424 2.328 1.00 0.00 H new ATOM 1801 N LYS A 113 -4.862 19.721 6.518 1.00 0.00 N ATOM 1802 CA LYS A 113 -5.468 20.331 7.686 1.00 0.00 C ATOM 1803 C LYS A 113 -6.708 19.552 8.113 1.00 0.00 C ATOM 1804 O LYS A 113 -6.876 19.229 9.289 1.00 0.00 O ATOM 1805 CB LYS A 113 -5.840 21.784 7.385 1.00 0.00 C ATOM 1806 CG LYS A 113 -4.659 22.648 6.974 1.00 0.00 C ATOM 1807 CD LYS A 113 -3.633 22.781 8.089 1.00 0.00 C ATOM 1808 CE LYS A 113 -2.364 23.456 7.595 1.00 0.00 C ATOM 1809 NZ LYS A 113 -2.625 24.805 7.025 1.00 0.00 N ATOM 0 H LYS A 113 -4.885 20.300 5.678 1.00 0.00 H new ATOM 0 HA LYS A 113 -4.746 20.310 8.503 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -6.585 21.801 6.589 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -6.307 22.220 8.268 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -4.183 22.216 6.094 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -5.016 23.638 6.690 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.058 23.358 8.910 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -3.392 21.794 8.484 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -1.657 23.544 8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.893 22.829 6.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.173 24.881 6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.650 24.947 6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -2.235 25.531 7.659 1.00 0.00 H new ATOM 1823 N LEU A 114 -7.556 19.231 7.141 1.00 0.00 N ATOM 1824 CA LEU A 114 -8.802 18.539 7.393 1.00 0.00 C ATOM 1825 C LEU A 114 -8.572 17.142 7.960 1.00 0.00 C ATOM 1826 O LEU A 114 -9.294 16.702 8.854 1.00 0.00 O ATOM 1827 CB LEU A 114 -9.592 18.450 6.094 1.00 0.00 C ATOM 1828 CG LEU A 114 -10.205 19.765 5.606 1.00 0.00 C ATOM 1829 CD1 LEU A 114 -10.950 19.556 4.298 1.00 0.00 C ATOM 1830 CD2 LEU A 114 -11.135 20.346 6.662 1.00 0.00 C ATOM 0 H LEU A 114 -7.393 19.446 6.157 1.00 0.00 H new ATOM 0 HA LEU A 114 -9.363 19.103 8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -8.935 18.064 5.315 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -10.393 17.722 6.225 1.00 0.00 H new ATOM 0 HG LEU A 114 -9.396 20.475 5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -11.378 20.502 3.968 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -10.259 19.187 3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -11.748 18.829 4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -11.561 21.280 6.297 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -11.937 19.638 6.870 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -10.573 20.536 7.577 1.00 0.00 H new ATOM 1842 N LEU A 115 -7.562 16.454 7.442 1.00 0.00 N ATOM 1843 CA LEU A 115 -7.247 15.099 7.886 1.00 0.00 C ATOM 1844 C LEU A 115 -6.855 15.075 9.362 1.00 0.00 C ATOM 1845 O LEU A 115 -7.086 14.089 10.059 1.00 0.00 O ATOM 1846 CB LEU A 115 -6.124 14.497 7.035 1.00 0.00 C ATOM 1847 CG LEU A 115 -6.391 14.466 5.527 1.00 0.00 C ATOM 1848 CD1 LEU A 115 -5.288 13.716 4.804 1.00 0.00 C ATOM 1849 CD2 LEU A 115 -7.748 13.844 5.231 1.00 0.00 C ATOM 0 H LEU A 115 -6.945 16.812 6.713 1.00 0.00 H new ATOM 0 HA LEU A 115 -8.146 14.496 7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -5.211 15.064 7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -5.938 13.478 7.376 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.402 15.493 5.162 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -5.496 13.705 3.734 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.334 14.211 4.983 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.241 12.692 5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.916 13.833 4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -7.771 12.823 5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.530 14.430 5.714 1.00 0.00 H new ATOM 1861 N VAL A 116 -6.272 16.167 9.836 1.00 0.00 N ATOM 1862 CA VAL A 116 -5.895 16.279 11.241 1.00 0.00 C ATOM 1863 C VAL A 116 -7.116 16.608 12.096 1.00 0.00 C ATOM 1864 O VAL A 116 -7.197 16.228 13.263 1.00 0.00 O ATOM 1865 CB VAL A 116 -4.807 17.360 11.446 1.00 0.00 C ATOM 1866 CG1 VAL A 116 -4.413 17.475 12.913 1.00 0.00 C ATOM 1867 CG2 VAL A 116 -3.584 17.059 10.593 1.00 0.00 C ATOM 0 H VAL A 116 -6.050 16.987 9.271 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.487 15.317 11.552 1.00 0.00 H new ATOM 0 HB VAL A 116 -5.226 18.316 11.132 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.647 18.242 13.025 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -5.288 17.746 13.504 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -4.022 16.519 13.261 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -2.831 17.831 10.752 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -3.174 16.089 10.874 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -3.869 17.041 9.541 1.00 0.00 H new ATOM 1877 N GLN A 117 -8.078 17.297 11.497 1.00 0.00 N ATOM 1878 CA GLN A 117 -9.280 17.717 12.193 1.00 0.00 C ATOM 1879 C GLN A 117 -10.202 16.536 12.477 1.00 0.00 C ATOM 1880 O GLN A 117 -10.959 16.546 13.448 1.00 0.00 O ATOM 1881 CB GLN A 117 -10.010 18.760 11.354 1.00 0.00 C ATOM 1882 CG GLN A 117 -9.201 20.023 11.113 1.00 0.00 C ATOM 1883 CD GLN A 117 -8.797 20.717 12.399 1.00 0.00 C ATOM 1884 OE1 GLN A 117 -9.514 21.584 12.897 1.00 0.00 O ATOM 1885 NE2 GLN A 117 -7.650 20.340 12.943 1.00 0.00 N ATOM 0 H GLN A 117 -8.044 17.578 10.517 1.00 0.00 H new ATOM 0 HA GLN A 117 -8.990 18.148 13.151 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -10.275 18.320 10.393 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -10.943 19.026 11.851 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -8.306 19.772 10.544 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -9.785 20.712 10.502 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -7.087 19.617 12.496 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -7.330 20.773 13.809 1.00 0.00 H new ATOM 1894 N LEU A 118 -10.140 15.528 11.622 1.00 0.00 N ATOM 1895 CA LEU A 118 -10.973 14.346 11.779 1.00 0.00 C ATOM 1896 C LEU A 118 -10.370 13.387 12.800 1.00 0.00 C ATOM 1897 O LEU A 118 -10.671 13.532 14.006 1.00 0.00 O ATOM 1898 CB LEU A 118 -11.149 13.637 10.434 1.00 0.00 C ATOM 1899 CG LEU A 118 -11.819 14.471 9.339 1.00 0.00 C ATOM 1900 CD1 LEU A 118 -11.906 13.684 8.041 1.00 0.00 C ATOM 1901 CD2 LEU A 118 -13.199 14.923 9.784 1.00 0.00 C ATOM 0 H LEU A 118 -9.521 15.504 10.812 1.00 0.00 H new ATOM 0 HA LEU A 118 -11.950 14.666 12.142 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -10.169 13.320 10.078 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -11.738 12.734 10.592 1.00 0.00 H new ATOM 0 HG LEU A 118 -11.208 15.356 9.160 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.385 14.295 7.276 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -10.903 13.412 7.712 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -12.492 12.779 8.203 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -13.661 15.515 8.993 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -13.818 14.050 9.993 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -13.110 15.529 10.686 1.00 0.00 H new TER 1913 LEU A 118