USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 904 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 24 THR OG1 : rot 43:sc= 1.25 USER MOD Set 1.2: A 74 ASN : amide:sc= -2.63! X(o=-1.4!,f=-1.4) USER MOD Set 1.3: A 98 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 88 LYS NZ :NH3+ -167:sc= 1.04 (180deg=0.511) USER MOD Set 2.2: A 89 MET CE :methyl 170:sc= 0 (180deg=0) USER MOD Set 3.1: A 27 LYS NZ :NH3+ -167:sc= -5.04! (180deg=-5.2!) USER MOD Set 3.2: A 31 ASN : amide:sc= -0.931 K(o=-6,f=-14!) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0069 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 30 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.45) USER MOD Single : A 36 SER OG : rot -128:sc= 0.114 USER MOD Single : A 42 GLN : amide:sc= -0.0407 K(o=-0.041,f=-0.79) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 180:sc= -0.0802 USER MOD Single : A 46 CYS SG : rot -126:sc= 0.0111 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.19 K(o=-0.19,f=-1.4!) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 110:sc= 0.189 USER MOD Single : A 63 THR OG1 : rot -55:sc= 0.338 USER MOD Single : A 71 THR OG1 : rot -11:sc= 0.218 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 161:sc= -0.101 (180deg=-0.45) USER MOD Single : A 82 THR OG1 : rot 93:sc= 1.14 USER MOD Single : A 83 LYS NZ :NH3+ -146:sc= 1.28 (180deg=1.12) USER MOD Single : A 91 GLN : amide:sc= -0.0199 K(o=-0.02,f=-0.95) USER MOD Single : A 94 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0798) USER MOD Single : A 100 HIS : no HD1:sc= -0.526 X(o=-0.53,f=-0.9) USER MOD Single : A 101 TYR OH : rot -124:sc= 0.264 USER MOD Single : A 102 ASN : amide:sc= 0.306 K(o=0.31,f=-4.5!) USER MOD Single : A 103 LYS NZ :NH3+ -161:sc= 1.01 (180deg=0.704) USER MOD Single : A 105 GLN : amide:sc= 1.35 K(o=1.4,f=-0.3) USER MOD Single : A 109 LYS NZ :NH3+ 146:sc= -0.0126 (180deg=-1.45!) USER MOD Single : A 110 GLN : amide:sc= -0.814 K(o=-0.81,f=-0.13) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0.0345 USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 127 LYS NZ :NH3+ -167:sc=-0.000232 (180deg=-0.135) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 13 23.201 -7.813 10.592 1.00 0.00 N ATOM 2 CA GLY A 13 21.721 -7.736 10.629 1.00 0.00 C ATOM 3 C GLY A 13 21.224 -6.384 10.176 1.00 0.00 C ATOM 4 O GLY A 13 22.024 -5.524 9.805 1.00 0.00 O ATOM 0 HA2 GLY A 13 21.299 -8.512 9.990 1.00 0.00 H new ATOM 0 HA3 GLY A 13 21.371 -7.932 11.642 1.00 0.00 H new ATOM 10 N SER A 14 19.913 -6.185 10.202 1.00 0.00 N ATOM 11 CA SER A 14 19.335 -4.915 9.799 1.00 0.00 C ATOM 12 C SER A 14 19.515 -3.876 10.902 1.00 0.00 C ATOM 13 O SER A 14 19.204 -4.137 12.067 1.00 0.00 O ATOM 14 CB SER A 14 17.852 -5.091 9.454 1.00 0.00 C ATOM 15 OG SER A 14 17.161 -5.777 10.486 1.00 0.00 O ATOM 0 H SER A 14 19.233 -6.886 10.497 1.00 0.00 H new ATOM 0 HA SER A 14 19.854 -4.561 8.908 1.00 0.00 H new ATOM 0 HB2 SER A 14 17.395 -4.114 9.294 1.00 0.00 H new ATOM 0 HB3 SER A 14 17.757 -5.644 8.520 1.00 0.00 H new ATOM 0 HG SER A 14 16.217 -5.873 10.240 1.00 0.00 H new ATOM 21 N PRO A 15 20.031 -2.688 10.554 1.00 0.00 N ATOM 22 CA PRO A 15 20.267 -1.609 11.517 1.00 0.00 C ATOM 23 C PRO A 15 18.985 -0.868 11.884 1.00 0.00 C ATOM 24 O PRO A 15 18.945 0.365 11.904 1.00 0.00 O ATOM 25 CB PRO A 15 21.227 -0.688 10.768 1.00 0.00 C ATOM 26 CG PRO A 15 20.881 -0.873 9.332 1.00 0.00 C ATOM 27 CD PRO A 15 20.435 -2.303 9.187 1.00 0.00 C ATOM 0 HA PRO A 15 20.657 -1.978 12.466 1.00 0.00 H new ATOM 0 HB2 PRO A 15 21.101 0.350 11.075 1.00 0.00 H new ATOM 0 HB3 PRO A 15 22.266 -0.955 10.963 1.00 0.00 H new ATOM 0 HG2 PRO A 15 20.090 -0.186 9.031 1.00 0.00 H new ATOM 0 HG3 PRO A 15 21.741 -0.667 8.695 1.00 0.00 H new ATOM 0 HD2 PRO A 15 19.606 -2.394 8.485 1.00 0.00 H new ATOM 0 HD3 PRO A 15 21.240 -2.937 8.814 1.00 0.00 H new ATOM 35 N GLY A 16 17.942 -1.632 12.177 1.00 0.00 N ATOM 36 CA GLY A 16 16.655 -1.052 12.491 1.00 0.00 C ATOM 37 C GLY A 16 15.967 -0.495 11.261 1.00 0.00 C ATOM 38 O GLY A 16 16.485 -0.603 10.148 1.00 0.00 O ATOM 0 H GLY A 16 17.967 -2.651 12.202 1.00 0.00 H new ATOM 0 HA2 GLY A 16 16.019 -1.809 12.951 1.00 0.00 H new ATOM 0 HA3 GLY A 16 16.785 -0.257 13.225 1.00 0.00 H new ATOM 42 N ILE A 17 14.798 0.091 11.455 1.00 0.00 N ATOM 43 CA ILE A 17 14.070 0.711 10.361 1.00 0.00 C ATOM 44 C ILE A 17 14.143 2.227 10.481 1.00 0.00 C ATOM 45 O ILE A 17 14.377 2.750 11.573 1.00 0.00 O ATOM 46 CB ILE A 17 12.599 0.244 10.316 1.00 0.00 C ATOM 47 CG1 ILE A 17 11.896 0.542 11.644 1.00 0.00 C ATOM 48 CG2 ILE A 17 12.539 -1.235 9.973 1.00 0.00 C ATOM 49 CD1 ILE A 17 10.509 -0.054 11.757 1.00 0.00 C ATOM 0 H ILE A 17 14.332 0.151 12.361 1.00 0.00 H new ATOM 0 HA ILE A 17 14.540 0.401 9.427 1.00 0.00 H new ATOM 0 HB ILE A 17 12.072 0.797 9.538 1.00 0.00 H new ATOM 0 HG12 ILE A 17 12.510 0.163 12.461 1.00 0.00 H new ATOM 0 HG13 ILE A 17 11.827 1.622 11.772 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.499 -1.560 9.943 1.00 0.00 H new ATOM 0 HG22 ILE A 17 13.000 -1.402 8.999 1.00 0.00 H new ATOM 0 HG23 ILE A 17 13.075 -1.806 10.731 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.080 0.203 12.726 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.876 0.344 10.963 1.00 0.00 H new ATOM 0 HD13 ILE A 17 10.570 -1.138 11.663 1.00 0.00 H new ATOM 61 N PRO A 18 13.978 2.953 9.368 1.00 0.00 N ATOM 62 CA PRO A 18 14.129 4.410 9.353 1.00 0.00 C ATOM 63 C PRO A 18 13.106 5.127 10.247 1.00 0.00 C ATOM 64 O PRO A 18 13.363 5.341 11.433 1.00 0.00 O ATOM 65 CB PRO A 18 13.957 4.776 7.876 1.00 0.00 C ATOM 66 CG PRO A 18 13.224 3.629 7.273 1.00 0.00 C ATOM 67 CD PRO A 18 13.642 2.414 8.040 1.00 0.00 C ATOM 0 HA PRO A 18 15.090 4.725 9.759 1.00 0.00 H new ATOM 0 HB2 PRO A 18 13.397 5.704 7.763 1.00 0.00 H new ATOM 0 HB3 PRO A 18 14.922 4.925 7.392 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.146 3.779 7.339 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.468 3.524 6.216 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.840 1.677 8.096 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.497 1.920 7.578 1.00 0.00 H new ATOM 75 N VAL A 19 11.957 5.502 9.693 1.00 0.00 N ATOM 76 CA VAL A 19 10.891 6.077 10.469 1.00 0.00 C ATOM 77 C VAL A 19 9.566 5.389 10.157 1.00 0.00 C ATOM 78 O VAL A 19 9.043 5.503 9.046 1.00 0.00 O ATOM 79 CB VAL A 19 10.759 7.575 10.204 1.00 0.00 C ATOM 80 CG1 VAL A 19 11.630 8.373 11.161 1.00 0.00 C ATOM 81 CG2 VAL A 19 11.117 7.904 8.772 1.00 0.00 C ATOM 0 H VAL A 19 11.750 5.412 8.698 1.00 0.00 H new ATOM 0 HA VAL A 19 11.136 5.928 11.520 1.00 0.00 H new ATOM 0 HB VAL A 19 9.718 7.852 10.371 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.519 9.437 10.953 1.00 0.00 H new ATOM 0 HG12 VAL A 19 11.323 8.170 12.187 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.673 8.085 11.030 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.015 8.977 8.609 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.146 7.603 8.576 1.00 0.00 H new ATOM 0 HG23 VAL A 19 10.448 7.369 8.098 1.00 0.00 H new ATOM 91 N PRO A 20 9.014 4.661 11.132 1.00 0.00 N ATOM 92 CA PRO A 20 7.790 3.892 10.948 1.00 0.00 C ATOM 93 C PRO A 20 6.525 4.729 11.136 1.00 0.00 C ATOM 94 O PRO A 20 6.477 5.635 11.971 1.00 0.00 O ATOM 95 CB PRO A 20 7.897 2.825 12.033 1.00 0.00 C ATOM 96 CG PRO A 20 8.678 3.466 13.132 1.00 0.00 C ATOM 97 CD PRO A 20 9.542 4.531 12.500 1.00 0.00 C ATOM 0 HA PRO A 20 7.703 3.496 9.936 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.911 2.514 12.379 1.00 0.00 H new ATOM 0 HB3 PRO A 20 8.400 1.933 11.660 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.010 3.902 13.875 1.00 0.00 H new ATOM 0 HG3 PRO A 20 9.292 2.729 13.649 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.474 5.473 13.044 1.00 0.00 H new ATOM 0 HD3 PRO A 20 10.593 4.240 12.495 1.00 0.00 H new ATOM 105 N GLY A 21 5.510 4.419 10.347 1.00 0.00 N ATOM 106 CA GLY A 21 4.237 5.101 10.454 1.00 0.00 C ATOM 107 C GLY A 21 3.203 4.475 9.545 1.00 0.00 C ATOM 108 O GLY A 21 3.488 3.479 8.883 1.00 0.00 O ATOM 0 H GLY A 21 5.546 3.699 9.626 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.888 5.065 11.486 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.362 6.153 10.197 1.00 0.00 H new ATOM 112 N LYS A 22 2.011 5.048 9.502 1.00 0.00 N ATOM 113 CA LYS A 22 0.953 4.531 8.646 1.00 0.00 C ATOM 114 C LYS A 22 0.150 5.672 8.037 1.00 0.00 C ATOM 115 O LYS A 22 0.214 6.806 8.513 1.00 0.00 O ATOM 116 CB LYS A 22 0.018 3.608 9.436 1.00 0.00 C ATOM 117 CG LYS A 22 -0.732 4.306 10.560 1.00 0.00 C ATOM 118 CD LYS A 22 -1.744 3.380 11.211 1.00 0.00 C ATOM 119 CE LYS A 22 -2.537 4.092 12.294 1.00 0.00 C ATOM 120 NZ LYS A 22 -3.567 3.208 12.901 1.00 0.00 N ATOM 0 H LYS A 22 1.751 5.869 10.048 1.00 0.00 H new ATOM 0 HA LYS A 22 1.421 3.959 7.845 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.705 3.166 8.750 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.602 2.789 9.856 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.023 4.656 11.310 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.242 5.186 10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.426 2.995 10.453 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.228 2.521 11.641 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.857 4.443 13.070 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.019 4.973 11.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.085 3.732 13.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.232 2.893 12.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.106 2.380 13.328 1.00 0.00 H new ATOM 134 N VAL A 23 -0.576 5.382 6.966 1.00 0.00 N ATOM 135 CA VAL A 23 -1.519 6.332 6.410 1.00 0.00 C ATOM 136 C VAL A 23 -2.740 5.568 5.915 1.00 0.00 C ATOM 137 O VAL A 23 -2.609 4.470 5.376 1.00 0.00 O ATOM 138 CB VAL A 23 -0.886 7.193 5.277 1.00 0.00 C ATOM 139 CG1 VAL A 23 -0.407 6.344 4.114 1.00 0.00 C ATOM 140 CG2 VAL A 23 -1.860 8.239 4.776 1.00 0.00 C ATOM 0 H VAL A 23 -0.527 4.494 6.467 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.816 7.035 7.188 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.020 7.691 5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.027 6.987 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.346 5.638 4.465 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.250 5.796 3.693 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.390 8.825 3.986 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.751 7.748 4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.141 8.898 5.598 1.00 0.00 H new ATOM 150 N THR A 24 -3.926 6.098 6.150 1.00 0.00 N ATOM 151 CA THR A 24 -5.131 5.405 5.736 1.00 0.00 C ATOM 152 C THR A 24 -5.817 6.148 4.595 1.00 0.00 C ATOM 153 O THR A 24 -6.057 7.355 4.666 1.00 0.00 O ATOM 154 CB THR A 24 -6.111 5.181 6.915 1.00 0.00 C ATOM 155 OG1 THR A 24 -7.226 4.389 6.486 1.00 0.00 O ATOM 156 CG2 THR A 24 -6.613 6.499 7.489 1.00 0.00 C ATOM 0 H THR A 24 -4.080 6.991 6.618 1.00 0.00 H new ATOM 0 HA THR A 24 -4.829 4.421 5.378 1.00 0.00 H new ATOM 0 HB THR A 24 -5.566 4.656 7.699 1.00 0.00 H new ATOM 0 HG1 THR A 24 -6.908 3.657 5.918 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.298 6.300 8.313 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.768 7.083 7.853 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.134 7.059 6.712 1.00 0.00 H new ATOM 164 N LEU A 25 -6.088 5.417 3.525 1.00 0.00 N ATOM 165 CA LEU A 25 -6.739 5.974 2.352 1.00 0.00 C ATOM 166 C LEU A 25 -7.945 5.124 1.992 1.00 0.00 C ATOM 167 O LEU A 25 -8.330 4.224 2.742 1.00 0.00 O ATOM 168 CB LEU A 25 -5.787 6.020 1.145 1.00 0.00 C ATOM 169 CG LEU A 25 -4.561 6.931 1.260 1.00 0.00 C ATOM 170 CD1 LEU A 25 -4.932 8.273 1.861 1.00 0.00 C ATOM 171 CD2 LEU A 25 -3.458 6.260 2.057 1.00 0.00 C ATOM 0 H LEU A 25 -5.864 4.425 3.446 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.044 6.993 2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.438 5.006 0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.361 6.333 0.273 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.183 7.112 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.042 8.899 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.672 8.763 1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.349 8.123 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.599 6.928 2.124 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.820 6.033 3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.161 5.336 1.561 1.00 0.00 H new ATOM 183 N GLN A 26 -8.516 5.397 0.834 1.00 0.00 N ATOM 184 CA GLN A 26 -9.659 4.664 0.349 1.00 0.00 C ATOM 185 C GLN A 26 -9.423 4.208 -1.067 1.00 0.00 C ATOM 186 O GLN A 26 -8.905 4.956 -1.889 1.00 0.00 O ATOM 187 CB GLN A 26 -10.926 5.506 0.440 1.00 0.00 C ATOM 188 CG GLN A 26 -11.519 5.518 1.833 1.00 0.00 C ATOM 189 CD GLN A 26 -12.668 6.489 1.976 1.00 0.00 C ATOM 190 OE1 GLN A 26 -12.716 7.518 1.305 1.00 0.00 O ATOM 191 NE2 GLN A 26 -13.599 6.171 2.855 1.00 0.00 N ATOM 0 H GLN A 26 -8.197 6.135 0.206 1.00 0.00 H new ATOM 0 HA GLN A 26 -9.796 3.785 0.979 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.701 6.528 0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -11.665 5.120 -0.262 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.864 4.515 2.084 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.741 5.776 2.551 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.520 5.307 3.391 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -14.398 6.789 2.998 1.00 0.00 H new ATOM 200 N LYS A 27 -9.794 2.962 -1.311 1.00 0.00 N ATOM 201 CA LYS A 27 -9.604 2.303 -2.602 1.00 0.00 C ATOM 202 C LYS A 27 -10.008 3.199 -3.765 1.00 0.00 C ATOM 203 O LYS A 27 -10.927 4.014 -3.656 1.00 0.00 O ATOM 204 CB LYS A 27 -10.459 1.043 -2.671 1.00 0.00 C ATOM 205 CG LYS A 27 -10.316 0.114 -1.489 1.00 0.00 C ATOM 206 CD LYS A 27 -8.932 -0.480 -1.416 1.00 0.00 C ATOM 207 CE LYS A 27 -8.974 -1.844 -0.782 1.00 0.00 C ATOM 208 NZ LYS A 27 -9.702 -2.809 -1.637 1.00 0.00 N ATOM 0 H LYS A 27 -10.242 2.369 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.543 2.067 -2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.505 1.335 -2.761 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.202 0.496 -3.578 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.528 0.659 -0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.053 -0.686 -1.563 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.508 -0.551 -2.418 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.279 0.175 -0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.958 -2.200 -0.611 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.458 -1.780 0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.908 -3.670 -1.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.594 -2.382 -1.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.116 -3.054 -2.461 1.00 0.00 H new ATOM 222 N ASP A 28 -9.338 3.010 -4.885 1.00 0.00 N ATOM 223 CA ASP A 28 -9.630 3.759 -6.093 1.00 0.00 C ATOM 224 C ASP A 28 -10.684 3.013 -6.914 1.00 0.00 C ATOM 225 O ASP A 28 -11.359 2.124 -6.389 1.00 0.00 O ATOM 226 CB ASP A 28 -8.351 3.947 -6.913 1.00 0.00 C ATOM 227 CG ASP A 28 -7.975 2.703 -7.685 1.00 0.00 C ATOM 228 OD1 ASP A 28 -8.063 1.599 -7.114 1.00 0.00 O ATOM 229 OD2 ASP A 28 -7.644 2.824 -8.883 1.00 0.00 O ATOM 0 H ASP A 28 -8.579 2.336 -4.984 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.018 4.742 -5.826 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.486 4.776 -7.608 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -7.532 4.220 -6.247 1.00 0.00 H new ATOM 234 N ALA A 29 -10.822 3.352 -8.189 1.00 0.00 N ATOM 235 CA ALA A 29 -11.774 2.668 -9.057 1.00 0.00 C ATOM 236 C ALA A 29 -11.365 1.215 -9.305 1.00 0.00 C ATOM 237 O ALA A 29 -12.201 0.373 -9.636 1.00 0.00 O ATOM 238 CB ALA A 29 -11.917 3.409 -10.377 1.00 0.00 C ATOM 0 H ALA A 29 -10.290 4.093 -8.645 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.738 2.661 -8.549 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.631 2.885 -11.013 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -12.273 4.422 -10.189 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -10.949 3.452 -10.877 1.00 0.00 H new ATOM 244 N GLN A 30 -10.079 0.922 -9.146 1.00 0.00 N ATOM 245 CA GLN A 30 -9.552 -0.386 -9.348 1.00 0.00 C ATOM 246 C GLN A 30 -9.611 -1.234 -8.082 1.00 0.00 C ATOM 247 O GLN A 30 -9.145 -2.375 -8.084 1.00 0.00 O ATOM 248 CB GLN A 30 -8.123 -0.236 -9.742 1.00 0.00 C ATOM 249 CG GLN A 30 -7.863 0.257 -11.147 1.00 0.00 C ATOM 250 CD GLN A 30 -6.402 0.095 -11.496 1.00 0.00 C ATOM 251 OE1 GLN A 30 -6.004 -0.882 -12.132 1.00 0.00 O ATOM 252 NE2 GLN A 30 -5.579 1.008 -11.011 1.00 0.00 N ATOM 0 H GLN A 30 -9.378 1.610 -8.869 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.147 -0.886 -10.112 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.646 0.453 -9.044 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.632 -1.202 -9.622 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.477 -0.300 -11.855 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.150 1.305 -11.231 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -5.949 1.803 -10.489 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -4.574 0.918 -11.158 1.00 0.00 H new ATOM 261 N ASN A 31 -10.147 -0.659 -6.999 1.00 0.00 N ATOM 262 CA ASN A 31 -10.234 -1.347 -5.702 1.00 0.00 C ATOM 263 C ASN A 31 -8.847 -1.483 -5.059 1.00 0.00 C ATOM 264 O ASN A 31 -8.637 -2.281 -4.139 1.00 0.00 O ATOM 265 CB ASN A 31 -10.875 -2.729 -5.885 1.00 0.00 C ATOM 266 CG ASN A 31 -11.079 -3.494 -4.586 1.00 0.00 C ATOM 267 OD1 ASN A 31 -11.465 -2.923 -3.565 1.00 0.00 O ATOM 268 ND2 ASN A 31 -10.788 -4.789 -4.613 1.00 0.00 N ATOM 0 H ASN A 31 -10.530 0.287 -6.994 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.857 -0.750 -5.036 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.839 -2.608 -6.379 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.249 -3.323 -6.550 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -10.881 -5.350 -3.766 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.471 -5.223 -5.480 1.00 0.00 H new ATOM 275 N LEU A 32 -7.907 -0.681 -5.522 1.00 0.00 N ATOM 276 CA LEU A 32 -6.543 -0.736 -5.009 1.00 0.00 C ATOM 277 C LEU A 32 -6.075 0.636 -4.551 1.00 0.00 C ATOM 278 O LEU A 32 -6.891 1.540 -4.359 1.00 0.00 O ATOM 279 CB LEU A 32 -5.595 -1.331 -6.068 1.00 0.00 C ATOM 280 CG LEU A 32 -5.730 -0.785 -7.498 1.00 0.00 C ATOM 281 CD1 LEU A 32 -5.225 0.642 -7.619 1.00 0.00 C ATOM 282 CD2 LEU A 32 -4.985 -1.679 -8.469 1.00 0.00 C ATOM 0 H LEU A 32 -8.058 0.016 -6.251 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.529 -1.390 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.569 -1.168 -5.737 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.753 -2.409 -6.099 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.792 -0.779 -7.743 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.341 0.983 -8.648 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.799 1.289 -6.955 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.172 0.680 -7.341 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.087 -1.283 -9.479 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.930 -1.712 -8.197 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.402 -2.686 -8.430 1.00 0.00 H new ATOM 294 N ILE A 33 -4.770 0.791 -4.347 1.00 0.00 N ATOM 295 CA ILE A 33 -4.247 2.039 -3.863 1.00 0.00 C ATOM 296 C ILE A 33 -3.470 2.779 -4.942 1.00 0.00 C ATOM 297 O ILE A 33 -3.315 4.000 -4.874 1.00 0.00 O ATOM 298 CB ILE A 33 -3.360 1.834 -2.628 1.00 0.00 C ATOM 299 CG1 ILE A 33 -3.306 0.354 -2.220 1.00 0.00 C ATOM 300 CG2 ILE A 33 -3.904 2.677 -1.492 1.00 0.00 C ATOM 301 CD1 ILE A 33 -2.343 0.078 -1.085 1.00 0.00 C ATOM 0 H ILE A 33 -4.070 0.067 -4.511 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.104 2.649 -3.578 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.342 2.143 -2.865 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.304 0.029 -1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.017 -0.243 -3.085 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.282 2.540 -0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.896 3.728 -1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.926 2.370 -1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.355 -0.986 -0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.336 0.372 -1.382 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.643 0.649 -0.206 1.00 0.00 H new ATOM 313 N GLY A 34 -2.996 2.048 -5.942 1.00 0.00 N ATOM 314 CA GLY A 34 -2.299 2.677 -7.050 1.00 0.00 C ATOM 315 C GLY A 34 -0.794 2.605 -6.915 1.00 0.00 C ATOM 316 O GLY A 34 -0.084 3.532 -7.310 1.00 0.00 O ATOM 0 H GLY A 34 -3.080 1.034 -6.007 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.599 2.196 -7.981 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.603 3.721 -7.118 1.00 0.00 H new ATOM 320 N ILE A 35 -0.308 1.509 -6.358 1.00 0.00 N ATOM 321 CA ILE A 35 1.127 1.303 -6.191 1.00 0.00 C ATOM 322 C ILE A 35 1.565 0.021 -6.864 1.00 0.00 C ATOM 323 O ILE A 35 0.746 -0.780 -7.316 1.00 0.00 O ATOM 324 CB ILE A 35 1.544 1.258 -4.701 1.00 0.00 C ATOM 325 CG1 ILE A 35 0.693 0.261 -3.918 1.00 0.00 C ATOM 326 CG2 ILE A 35 1.454 2.635 -4.076 1.00 0.00 C ATOM 327 CD1 ILE A 35 1.247 -1.140 -3.889 1.00 0.00 C ATOM 0 H ILE A 35 -0.886 0.743 -6.011 1.00 0.00 H new ATOM 0 HA ILE A 35 1.619 2.156 -6.659 1.00 0.00 H new ATOM 0 HB ILE A 35 2.581 0.924 -4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.586 0.618 -2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.306 0.235 -4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.752 2.579 -3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.117 3.319 -4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.429 2.999 -4.143 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.581 -1.783 -3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.327 -1.521 -4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.234 -1.132 -3.426 1.00 0.00 H new ATOM 339 N SER A 36 2.859 -0.165 -6.927 1.00 0.00 N ATOM 340 CA SER A 36 3.422 -1.377 -7.460 1.00 0.00 C ATOM 341 C SER A 36 4.461 -1.932 -6.518 1.00 0.00 C ATOM 342 O SER A 36 5.327 -1.208 -6.021 1.00 0.00 O ATOM 343 CB SER A 36 3.996 -1.142 -8.848 1.00 0.00 C ATOM 344 OG SER A 36 2.940 -0.941 -9.763 1.00 0.00 O ATOM 0 H SER A 36 3.549 0.517 -6.611 1.00 0.00 H new ATOM 0 HA SER A 36 2.628 -2.117 -7.557 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.655 -0.274 -8.839 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.599 -1.997 -9.154 1.00 0.00 H new ATOM 0 HG SER A 36 3.052 -1.541 -10.529 1.00 0.00 H new ATOM 350 N ILE A 37 4.339 -3.215 -6.263 1.00 0.00 N ATOM 351 CA ILE A 37 5.199 -3.898 -5.317 1.00 0.00 C ATOM 352 C ILE A 37 6.305 -4.670 -6.035 1.00 0.00 C ATOM 353 O ILE A 37 6.092 -5.273 -7.087 1.00 0.00 O ATOM 354 CB ILE A 37 4.392 -4.847 -4.404 1.00 0.00 C ATOM 355 CG1 ILE A 37 3.339 -4.067 -3.608 1.00 0.00 C ATOM 356 CG2 ILE A 37 5.315 -5.609 -3.459 1.00 0.00 C ATOM 357 CD1 ILE A 37 3.922 -3.074 -2.624 1.00 0.00 C ATOM 0 H ILE A 37 3.642 -3.816 -6.704 1.00 0.00 H new ATOM 0 HA ILE A 37 5.661 -3.134 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 37 3.881 -5.570 -5.039 1.00 0.00 H new ATOM 0 HG12 ILE A 37 2.692 -3.535 -4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.711 -4.774 -3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.723 -6.270 -2.827 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.023 -6.200 -4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.860 -4.902 -2.834 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.114 -2.563 -2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.546 -3.601 -1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.527 -2.343 -3.160 1.00 0.00 H new ATOM 369 N GLY A 38 7.481 -4.637 -5.440 1.00 0.00 N ATOM 370 CA GLY A 38 8.652 -5.254 -6.017 1.00 0.00 C ATOM 371 C GLY A 38 9.470 -6.003 -4.984 1.00 0.00 C ATOM 372 O GLY A 38 8.992 -6.226 -3.868 1.00 0.00 O ATOM 0 H GLY A 38 7.648 -4.181 -4.543 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.347 -5.942 -6.806 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.272 -4.488 -6.484 1.00 0.00 H new ATOM 376 N GLY A 39 10.751 -6.216 -5.315 1.00 0.00 N ATOM 377 CA GLY A 39 11.595 -7.250 -4.705 1.00 0.00 C ATOM 378 C GLY A 39 11.038 -7.905 -3.450 1.00 0.00 C ATOM 379 O GLY A 39 10.163 -8.771 -3.557 1.00 0.00 O ATOM 0 H GLY A 39 11.236 -5.666 -6.024 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.778 -8.027 -5.447 1.00 0.00 H new ATOM 0 HA3 GLY A 39 12.561 -6.807 -4.463 1.00 0.00 H new ATOM 383 N GLY A 40 11.531 -7.510 -2.274 1.00 0.00 N ATOM 384 CA GLY A 40 11.157 -8.200 -1.048 1.00 0.00 C ATOM 385 C GLY A 40 11.444 -9.691 -1.130 1.00 0.00 C ATOM 386 O GLY A 40 10.530 -10.490 -1.353 1.00 0.00 O ATOM 0 H GLY A 40 12.177 -6.731 -2.150 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.703 -7.770 -0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.096 -8.044 -0.852 1.00 0.00 H new ATOM 390 N ALA A 41 12.700 -10.078 -0.911 1.00 0.00 N ATOM 391 CA ALA A 41 13.139 -11.429 -1.239 1.00 0.00 C ATOM 392 C ALA A 41 14.560 -11.669 -0.751 1.00 0.00 C ATOM 393 O ALA A 41 15.001 -11.042 0.206 1.00 0.00 O ATOM 394 CB ALA A 41 13.055 -11.645 -2.745 1.00 0.00 C ATOM 0 H ALA A 41 13.424 -9.480 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 41 12.484 -12.141 -0.737 1.00 0.00 H new ATOM 0 HB1 ALA A 41 13.384 -12.656 -2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 41 12.025 -11.510 -3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 41 13.696 -10.924 -3.252 1.00 0.00 H new ATOM 400 N GLN A 42 15.267 -12.578 -1.417 1.00 0.00 N ATOM 401 CA GLN A 42 16.642 -12.914 -1.058 1.00 0.00 C ATOM 402 C GLN A 42 17.509 -11.663 -0.924 1.00 0.00 C ATOM 403 O GLN A 42 17.499 -10.792 -1.799 1.00 0.00 O ATOM 404 CB GLN A 42 17.247 -13.854 -2.105 1.00 0.00 C ATOM 405 CG GLN A 42 16.609 -15.235 -2.133 1.00 0.00 C ATOM 406 CD GLN A 42 16.919 -16.047 -0.892 1.00 0.00 C ATOM 407 OE1 GLN A 42 17.981 -15.899 -0.286 1.00 0.00 O ATOM 408 NE2 GLN A 42 16.001 -16.919 -0.511 1.00 0.00 N ATOM 0 H GLN A 42 14.906 -13.100 -2.216 1.00 0.00 H new ATOM 0 HA GLN A 42 16.618 -13.414 -0.090 1.00 0.00 H new ATOM 0 HB2 GLN A 42 17.147 -13.398 -3.090 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.314 -13.961 -1.910 1.00 0.00 H new ATOM 0 HG2 GLN A 42 15.529 -15.130 -2.233 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.959 -15.775 -3.013 1.00 0.00 H new ATOM 0 HE21 GLN A 42 15.134 -17.011 -1.041 1.00 0.00 H new ATOM 0 HE22 GLN A 42 16.160 -17.500 0.313 1.00 0.00 H new ATOM 417 N TYR A 43 18.222 -11.583 0.200 1.00 0.00 N ATOM 418 CA TYR A 43 19.191 -10.517 0.482 1.00 0.00 C ATOM 419 C TYR A 43 18.526 -9.199 0.885 1.00 0.00 C ATOM 420 O TYR A 43 19.157 -8.364 1.531 1.00 0.00 O ATOM 421 CB TYR A 43 20.143 -10.299 -0.702 1.00 0.00 C ATOM 422 CG TYR A 43 20.933 -11.535 -1.070 1.00 0.00 C ATOM 423 CD1 TYR A 43 21.805 -12.118 -0.162 1.00 0.00 C ATOM 424 CD2 TYR A 43 20.794 -12.125 -2.319 1.00 0.00 C ATOM 425 CE1 TYR A 43 22.519 -13.252 -0.489 1.00 0.00 C ATOM 426 CE2 TYR A 43 21.503 -13.261 -2.651 1.00 0.00 C ATOM 427 CZ TYR A 43 22.365 -13.820 -1.734 1.00 0.00 C ATOM 428 OH TYR A 43 23.069 -14.956 -2.061 1.00 0.00 O ATOM 0 H TYR A 43 18.143 -12.266 0.953 1.00 0.00 H new ATOM 0 HA TYR A 43 19.772 -10.856 1.340 1.00 0.00 H new ATOM 0 HB2 TYR A 43 19.566 -9.974 -1.568 1.00 0.00 H new ATOM 0 HB3 TYR A 43 20.835 -9.493 -0.459 1.00 0.00 H new ATOM 0 HD1 TYR A 43 21.927 -11.677 0.816 1.00 0.00 H new ATOM 0 HD2 TYR A 43 20.121 -11.688 -3.042 1.00 0.00 H new ATOM 0 HE1 TYR A 43 23.196 -13.692 0.228 1.00 0.00 H new ATOM 0 HE2 TYR A 43 21.383 -13.710 -3.626 1.00 0.00 H new ATOM 0 HH TYR A 43 22.845 -15.228 -2.975 1.00 0.00 H new ATOM 438 N CYS A 44 17.261 -9.009 0.528 1.00 0.00 N ATOM 439 CA CYS A 44 16.556 -7.783 0.888 1.00 0.00 C ATOM 440 C CYS A 44 15.042 -7.956 0.760 1.00 0.00 C ATOM 441 O CYS A 44 14.444 -7.573 -0.245 1.00 0.00 O ATOM 442 CB CYS A 44 17.030 -6.617 0.013 1.00 0.00 C ATOM 443 SG CYS A 44 16.386 -5.005 0.519 1.00 0.00 S ATOM 0 H CYS A 44 16.707 -9.680 -0.005 1.00 0.00 H new ATOM 0 HA CYS A 44 16.785 -7.560 1.930 1.00 0.00 H new ATOM 0 HB2 CYS A 44 18.119 -6.583 0.031 1.00 0.00 H new ATOM 0 HB3 CYS A 44 16.734 -6.807 -1.019 1.00 0.00 H new ATOM 0 HG CYS A 44 16.843 -4.085 -0.278 1.00 0.00 H new ATOM 449 N PRO A 45 14.403 -8.566 1.772 1.00 0.00 N ATOM 450 CA PRO A 45 12.940 -8.709 1.844 1.00 0.00 C ATOM 451 C PRO A 45 12.233 -7.411 2.226 1.00 0.00 C ATOM 452 O PRO A 45 11.115 -7.423 2.744 1.00 0.00 O ATOM 453 CB PRO A 45 12.737 -9.778 2.926 1.00 0.00 C ATOM 454 CG PRO A 45 14.085 -10.379 3.104 1.00 0.00 C ATOM 455 CD PRO A 45 15.041 -9.249 2.894 1.00 0.00 C ATOM 0 HA PRO A 45 12.515 -8.977 0.877 1.00 0.00 H new ATOM 0 HB2 PRO A 45 12.371 -9.340 3.854 1.00 0.00 H new ATOM 0 HB3 PRO A 45 12.006 -10.525 2.616 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.197 -10.811 4.098 1.00 0.00 H new ATOM 0 HG3 PRO A 45 14.258 -11.181 2.387 1.00 0.00 H new ATOM 0 HD2 PRO A 45 15.128 -8.610 3.773 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.046 -9.595 2.651 1.00 0.00 H new ATOM 463 N CYS A 46 12.898 -6.300 1.978 1.00 0.00 N ATOM 464 CA CYS A 46 12.296 -4.991 2.134 1.00 0.00 C ATOM 465 C CYS A 46 11.771 -4.533 0.777 1.00 0.00 C ATOM 466 O CYS A 46 11.260 -5.354 0.011 1.00 0.00 O ATOM 467 CB CYS A 46 13.332 -4.010 2.684 1.00 0.00 C ATOM 468 SG CYS A 46 14.024 -4.491 4.284 1.00 0.00 S ATOM 0 H CYS A 46 13.868 -6.279 1.664 1.00 0.00 H new ATOM 0 HA CYS A 46 11.467 -5.034 2.840 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.144 -3.913 1.963 1.00 0.00 H new ATOM 0 HB3 CYS A 46 12.871 -3.027 2.780 1.00 0.00 H new ATOM 0 HG CYS A 46 13.889 -3.511 5.128 1.00 0.00 H new ATOM 474 N LEU A 47 11.909 -3.240 0.478 1.00 0.00 N ATOM 475 CA LEU A 47 11.504 -2.681 -0.815 1.00 0.00 C ATOM 476 C LEU A 47 9.994 -2.536 -0.891 1.00 0.00 C ATOM 477 O LEU A 47 9.402 -1.647 -0.273 1.00 0.00 O ATOM 478 CB LEU A 47 11.990 -3.561 -1.990 1.00 0.00 C ATOM 479 CG LEU A 47 13.461 -3.927 -1.960 1.00 0.00 C ATOM 480 CD1 LEU A 47 13.854 -4.733 -3.187 1.00 0.00 C ATOM 481 CD2 LEU A 47 14.277 -2.675 -1.855 1.00 0.00 C ATOM 0 H LEU A 47 12.303 -2.553 1.121 1.00 0.00 H new ATOM 0 HA LEU A 47 11.968 -1.698 -0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 47 11.404 -4.480 -2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.781 -3.039 -2.924 1.00 0.00 H new ATOM 0 HG LEU A 47 13.653 -4.555 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 47 14.914 -4.980 -3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.269 -5.652 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 47 13.661 -4.146 -4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 47 15.336 -2.932 -1.833 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.076 -2.037 -2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 47 14.013 -2.144 -0.940 1.00 0.00 H new ATOM 493 N TYR A 48 9.390 -3.452 -1.625 1.00 0.00 N ATOM 494 CA TYR A 48 7.959 -3.439 -1.892 1.00 0.00 C ATOM 495 C TYR A 48 7.537 -2.284 -2.797 1.00 0.00 C ATOM 496 O TYR A 48 7.336 -2.500 -3.980 1.00 0.00 O ATOM 497 CB TYR A 48 7.144 -3.494 -0.599 1.00 0.00 C ATOM 498 CG TYR A 48 7.140 -4.885 -0.019 1.00 0.00 C ATOM 499 CD1 TYR A 48 8.293 -5.416 0.529 1.00 0.00 C ATOM 500 CD2 TYR A 48 6.007 -5.685 -0.067 1.00 0.00 C ATOM 501 CE1 TYR A 48 8.325 -6.698 1.022 1.00 0.00 C ATOM 502 CE2 TYR A 48 6.028 -6.977 0.421 1.00 0.00 C ATOM 503 CZ TYR A 48 7.192 -7.480 0.964 1.00 0.00 C ATOM 504 OH TYR A 48 7.221 -8.766 1.454 1.00 0.00 O ATOM 0 H TYR A 48 9.881 -4.234 -2.058 1.00 0.00 H new ATOM 0 HA TYR A 48 7.737 -4.349 -2.450 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.560 -2.795 0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.120 -3.176 -0.797 1.00 0.00 H new ATOM 0 HD1 TYR A 48 9.187 -4.811 0.570 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.095 -5.292 -0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.234 -7.091 1.453 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.139 -7.589 0.378 1.00 0.00 H new ATOM 0 HH TYR A 48 6.340 -9.180 1.338 1.00 0.00 H new ATOM 514 N ILE A 49 7.421 -1.061 -2.306 1.00 0.00 N ATOM 515 CA ILE A 49 6.848 -0.031 -3.161 1.00 0.00 C ATOM 516 C ILE A 49 7.919 0.536 -4.107 1.00 0.00 C ATOM 517 O ILE A 49 8.883 1.191 -3.700 1.00 0.00 O ATOM 518 CB ILE A 49 6.094 1.069 -2.354 1.00 0.00 C ATOM 519 CG1 ILE A 49 4.938 1.644 -3.180 1.00 0.00 C ATOM 520 CG2 ILE A 49 7.010 2.188 -1.900 1.00 0.00 C ATOM 521 CD1 ILE A 49 5.369 2.571 -4.297 1.00 0.00 C ATOM 0 H ILE A 49 7.699 -0.765 -1.370 1.00 0.00 H new ATOM 0 HA ILE A 49 6.081 -0.495 -3.780 1.00 0.00 H new ATOM 0 HB ILE A 49 5.700 0.587 -1.459 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.368 0.819 -3.608 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.265 2.185 -2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.434 2.927 -1.343 1.00 0.00 H new ATOM 0 HG22 ILE A 49 7.793 1.781 -1.260 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.463 2.663 -2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.489 2.932 -4.830 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.912 3.418 -3.878 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.016 2.031 -4.988 1.00 0.00 H new ATOM 533 N VAL A 50 7.770 0.210 -5.383 1.00 0.00 N ATOM 534 CA VAL A 50 8.730 0.630 -6.393 1.00 0.00 C ATOM 535 C VAL A 50 8.166 1.695 -7.307 1.00 0.00 C ATOM 536 O VAL A 50 8.920 2.401 -7.978 1.00 0.00 O ATOM 537 CB VAL A 50 9.199 -0.542 -7.277 1.00 0.00 C ATOM 538 CG1 VAL A 50 10.305 -1.327 -6.589 1.00 0.00 C ATOM 539 CG2 VAL A 50 8.037 -1.461 -7.626 1.00 0.00 C ATOM 0 H VAL A 50 6.993 -0.344 -5.743 1.00 0.00 H new ATOM 0 HA VAL A 50 9.574 1.030 -5.832 1.00 0.00 H new ATOM 0 HB VAL A 50 9.595 -0.124 -8.203 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.621 -2.149 -7.231 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.153 -0.670 -6.398 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.935 -1.725 -5.644 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.395 -2.280 -8.250 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.605 -1.865 -6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.277 -0.897 -8.168 1.00 0.00 H new ATOM 549 N GLN A 51 6.852 1.817 -7.349 1.00 0.00 N ATOM 550 CA GLN A 51 6.226 2.658 -8.308 1.00 0.00 C ATOM 551 C GLN A 51 4.845 3.065 -7.827 1.00 0.00 C ATOM 552 O GLN A 51 4.140 2.284 -7.189 1.00 0.00 O ATOM 553 CB GLN A 51 6.136 1.920 -9.620 1.00 0.00 C ATOM 554 CG GLN A 51 5.065 2.492 -10.484 1.00 0.00 C ATOM 555 CD GLN A 51 5.525 3.648 -11.341 1.00 0.00 C ATOM 556 OE1 GLN A 51 6.694 3.740 -11.708 1.00 0.00 O ATOM 557 NE2 GLN A 51 4.605 4.527 -11.680 1.00 0.00 N ATOM 0 H GLN A 51 6.210 1.335 -6.720 1.00 0.00 H new ATOM 0 HA GLN A 51 6.816 3.565 -8.444 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.093 1.974 -10.138 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.934 0.865 -9.434 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.674 1.706 -11.130 1.00 0.00 H new ATOM 0 HG3 GLN A 51 4.241 2.825 -9.853 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.646 4.413 -11.353 1.00 0.00 H new ATOM 0 HE22 GLN A 51 4.852 5.322 -12.269 1.00 0.00 H new ATOM 566 N VAL A 52 4.485 4.289 -8.132 1.00 0.00 N ATOM 567 CA VAL A 52 3.202 4.843 -7.740 1.00 0.00 C ATOM 568 C VAL A 52 2.713 5.781 -8.832 1.00 0.00 C ATOM 569 O VAL A 52 3.503 6.230 -9.663 1.00 0.00 O ATOM 570 CB VAL A 52 3.271 5.584 -6.387 1.00 0.00 C ATOM 571 CG1 VAL A 52 3.943 6.942 -6.521 1.00 0.00 C ATOM 572 CG2 VAL A 52 1.886 5.718 -5.782 1.00 0.00 C ATOM 0 H VAL A 52 5.072 4.934 -8.660 1.00 0.00 H new ATOM 0 HA VAL A 52 2.502 4.018 -7.611 1.00 0.00 H new ATOM 0 HB VAL A 52 3.885 4.987 -5.713 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.972 7.431 -5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.960 6.810 -6.891 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.380 7.559 -7.221 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.954 6.243 -4.829 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.245 6.281 -6.461 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.462 4.727 -5.621 1.00 0.00 H new ATOM 582 N PHE A 53 1.429 6.073 -8.847 1.00 0.00 N ATOM 583 CA PHE A 53 0.886 6.971 -9.851 1.00 0.00 C ATOM 584 C PHE A 53 0.724 8.388 -9.294 1.00 0.00 C ATOM 585 O PHE A 53 1.667 8.922 -8.710 1.00 0.00 O ATOM 586 CB PHE A 53 -0.416 6.405 -10.414 1.00 0.00 C ATOM 587 CG PHE A 53 -0.205 5.080 -11.095 1.00 0.00 C ATOM 588 CD1 PHE A 53 0.788 4.941 -12.053 1.00 0.00 C ATOM 589 CD2 PHE A 53 -0.974 3.976 -10.768 1.00 0.00 C ATOM 590 CE1 PHE A 53 1.008 3.728 -12.674 1.00 0.00 C ATOM 591 CE2 PHE A 53 -0.758 2.758 -11.386 1.00 0.00 C ATOM 592 CZ PHE A 53 0.234 2.634 -12.340 1.00 0.00 C ATOM 0 H PHE A 53 0.746 5.707 -8.184 1.00 0.00 H new ATOM 0 HA PHE A 53 1.591 7.048 -10.679 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.139 6.287 -9.607 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.843 7.114 -11.124 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.397 5.793 -12.317 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.750 4.067 -10.023 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.784 3.635 -13.420 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.364 1.904 -11.123 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.404 1.683 -12.824 1.00 0.00 H new ATOM 602 N ASP A 54 -0.435 9.013 -9.476 1.00 0.00 N ATOM 603 CA ASP A 54 -0.621 10.386 -9.008 1.00 0.00 C ATOM 604 C ASP A 54 -1.983 10.611 -8.357 1.00 0.00 C ATOM 605 O ASP A 54 -2.080 11.213 -7.287 1.00 0.00 O ATOM 606 CB ASP A 54 -0.459 11.338 -10.185 1.00 0.00 C ATOM 607 CG ASP A 54 -0.486 12.792 -9.769 1.00 0.00 C ATOM 608 OD1 ASP A 54 0.578 13.331 -9.403 1.00 0.00 O ATOM 609 OD2 ASP A 54 -1.569 13.407 -9.815 1.00 0.00 O ATOM 0 H ASP A 54 -1.247 8.602 -9.935 1.00 0.00 H new ATOM 0 HA ASP A 54 0.133 10.576 -8.245 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.483 11.127 -10.691 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.256 11.156 -10.906 1.00 0.00 H new ATOM 614 N ASN A 55 -3.021 10.093 -8.986 1.00 0.00 N ATOM 615 CA ASN A 55 -4.392 10.386 -8.601 1.00 0.00 C ATOM 616 C ASN A 55 -4.947 9.247 -7.784 1.00 0.00 C ATOM 617 O ASN A 55 -6.137 9.205 -7.469 1.00 0.00 O ATOM 618 CB ASN A 55 -5.275 10.618 -9.828 1.00 0.00 C ATOM 619 CG ASN A 55 -4.939 11.907 -10.545 1.00 0.00 C ATOM 620 OD1 ASN A 55 -5.479 12.967 -10.231 1.00 0.00 O ATOM 621 ND2 ASN A 55 -4.052 11.827 -11.518 1.00 0.00 N ATOM 0 H ASN A 55 -2.939 9.457 -9.779 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.389 11.299 -8.006 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.161 9.782 -10.518 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -6.321 10.638 -9.521 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.791 12.663 -12.041 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.627 10.929 -11.748 1.00 0.00 H new ATOM 628 N THR A 56 -4.072 8.327 -7.438 1.00 0.00 N ATOM 629 CA THR A 56 -4.465 7.167 -6.689 1.00 0.00 C ATOM 630 C THR A 56 -4.283 7.482 -5.231 1.00 0.00 C ATOM 631 O THR A 56 -3.339 8.186 -4.895 1.00 0.00 O ATOM 632 CB THR A 56 -3.614 5.940 -7.056 1.00 0.00 C ATOM 633 OG1 THR A 56 -2.269 6.104 -6.579 1.00 0.00 O ATOM 634 CG2 THR A 56 -3.575 5.745 -8.553 1.00 0.00 C ATOM 0 H THR A 56 -3.079 8.367 -7.668 1.00 0.00 H new ATOM 0 HA THR A 56 -5.503 6.927 -6.919 1.00 0.00 H new ATOM 0 HB THR A 56 -4.069 5.068 -6.587 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.105 5.480 -5.841 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.968 4.872 -8.790 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.588 5.595 -8.927 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.141 6.627 -9.024 1.00 0.00 H new ATOM 642 N PRO A 57 -5.159 6.996 -4.354 1.00 0.00 N ATOM 643 CA PRO A 57 -5.123 7.340 -2.932 1.00 0.00 C ATOM 644 C PRO A 57 -3.704 7.279 -2.370 1.00 0.00 C ATOM 645 O PRO A 57 -3.275 8.161 -1.620 1.00 0.00 O ATOM 646 CB PRO A 57 -6.004 6.266 -2.279 1.00 0.00 C ATOM 647 CG PRO A 57 -6.344 5.293 -3.366 1.00 0.00 C ATOM 648 CD PRO A 57 -6.235 6.049 -4.651 1.00 0.00 C ATOM 0 HA PRO A 57 -5.468 8.357 -2.746 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.476 5.771 -1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.906 6.707 -1.854 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.662 4.443 -3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.350 4.896 -3.232 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -5.986 5.397 -5.488 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.166 6.555 -4.907 1.00 0.00 H new ATOM 656 N ALA A 58 -2.982 6.240 -2.780 1.00 0.00 N ATOM 657 CA ALA A 58 -1.592 6.036 -2.382 1.00 0.00 C ATOM 658 C ALA A 58 -0.696 7.211 -2.771 1.00 0.00 C ATOM 659 O ALA A 58 -0.006 7.770 -1.921 1.00 0.00 O ATOM 660 CB ALA A 58 -1.053 4.762 -2.998 1.00 0.00 C ATOM 0 H ALA A 58 -3.345 5.515 -3.399 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.581 5.958 -1.295 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.016 4.621 -2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.649 3.914 -2.660 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.106 4.832 -4.084 1.00 0.00 H new ATOM 666 N ALA A 59 -0.693 7.581 -4.051 1.00 0.00 N ATOM 667 CA ALA A 59 0.144 8.686 -4.504 1.00 0.00 C ATOM 668 C ALA A 59 -0.421 9.998 -4.000 1.00 0.00 C ATOM 669 O ALA A 59 0.263 10.792 -3.355 1.00 0.00 O ATOM 670 CB ALA A 59 0.200 8.716 -6.016 1.00 0.00 C ATOM 0 H ALA A 59 -1.252 7.139 -4.781 1.00 0.00 H new ATOM 0 HA ALA A 59 1.151 8.544 -4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.828 9.546 -6.340 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.618 7.779 -6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -0.806 8.845 -6.415 1.00 0.00 H new ATOM 676 N LEU A 60 -1.683 10.185 -4.337 1.00 0.00 N ATOM 677 CA LEU A 60 -2.470 11.360 -3.995 1.00 0.00 C ATOM 678 C LEU A 60 -2.255 11.835 -2.550 1.00 0.00 C ATOM 679 O LEU A 60 -1.566 12.828 -2.307 1.00 0.00 O ATOM 680 CB LEU A 60 -3.933 10.945 -4.196 1.00 0.00 C ATOM 681 CG LEU A 60 -4.975 12.042 -4.408 1.00 0.00 C ATOM 682 CD1 LEU A 60 -5.151 12.903 -3.168 1.00 0.00 C ATOM 683 CD2 LEU A 60 -4.599 12.887 -5.607 1.00 0.00 C ATOM 0 H LEU A 60 -2.210 9.498 -4.877 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.172 12.200 -4.623 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.974 10.277 -5.056 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.236 10.363 -3.326 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.935 11.563 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.900 13.670 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.477 12.279 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.202 13.377 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.347 13.667 -5.751 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.625 13.345 -5.438 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.555 12.258 -6.496 1.00 0.00 H new ATOM 695 N ASP A 61 -2.864 11.137 -1.601 1.00 0.00 N ATOM 696 CA ASP A 61 -2.792 11.532 -0.198 1.00 0.00 C ATOM 697 C ASP A 61 -1.743 10.737 0.562 1.00 0.00 C ATOM 698 O ASP A 61 -1.015 11.277 1.397 1.00 0.00 O ATOM 699 CB ASP A 61 -4.159 11.378 0.470 1.00 0.00 C ATOM 700 CG ASP A 61 -4.195 11.975 1.865 1.00 0.00 C ATOM 701 OD1 ASP A 61 -4.462 13.189 1.986 1.00 0.00 O ATOM 702 OD2 ASP A 61 -3.963 11.241 2.849 1.00 0.00 O ATOM 0 H ASP A 61 -3.413 10.295 -1.775 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.495 12.580 -0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.918 11.859 -0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.416 10.320 0.524 1.00 0.00 H new ATOM 707 N GLY A 62 -1.672 9.448 0.245 1.00 0.00 N ATOM 708 CA GLY A 62 -0.946 8.494 1.077 1.00 0.00 C ATOM 709 C GLY A 62 0.542 8.758 1.189 1.00 0.00 C ATOM 710 O GLY A 62 1.166 8.364 2.171 1.00 0.00 O ATOM 0 H GLY A 62 -2.108 9.040 -0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.379 8.501 2.077 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.094 7.493 0.673 1.00 0.00 H new ATOM 714 N THR A 63 1.096 9.391 0.163 1.00 0.00 N ATOM 715 CA THR A 63 2.521 9.733 0.074 1.00 0.00 C ATOM 716 C THR A 63 3.408 8.514 0.360 1.00 0.00 C ATOM 717 O THR A 63 4.492 8.609 0.942 1.00 0.00 O ATOM 718 CB THR A 63 2.920 10.962 0.948 1.00 0.00 C ATOM 719 OG1 THR A 63 4.244 11.394 0.608 1.00 0.00 O ATOM 720 CG2 THR A 63 2.866 10.669 2.435 1.00 0.00 C ATOM 0 H THR A 63 0.560 9.690 -0.652 1.00 0.00 H new ATOM 0 HA THR A 63 2.696 10.039 -0.957 1.00 0.00 H new ATOM 0 HB THR A 63 2.192 11.745 0.737 1.00 0.00 H new ATOM 0 HG1 THR A 63 4.867 10.643 0.698 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.154 11.561 2.992 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.852 10.379 2.712 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.553 9.856 2.671 1.00 0.00 H new ATOM 728 N VAL A 64 2.927 7.365 -0.088 1.00 0.00 N ATOM 729 CA VAL A 64 3.653 6.107 0.011 1.00 0.00 C ATOM 730 C VAL A 64 4.305 5.795 -1.327 1.00 0.00 C ATOM 731 O VAL A 64 4.164 4.704 -1.882 1.00 0.00 O ATOM 732 CB VAL A 64 2.717 4.956 0.412 1.00 0.00 C ATOM 733 CG1 VAL A 64 2.221 5.152 1.827 1.00 0.00 C ATOM 734 CG2 VAL A 64 1.544 4.884 -0.546 1.00 0.00 C ATOM 0 H VAL A 64 2.014 7.278 -0.534 1.00 0.00 H new ATOM 0 HA VAL A 64 4.416 6.208 0.783 1.00 0.00 H new ATOM 0 HB VAL A 64 3.272 4.019 0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.559 4.329 2.098 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.070 5.175 2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.676 6.094 1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.886 4.066 -0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.991 5.823 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.911 4.712 -1.558 1.00 0.00 H new ATOM 744 N ALA A 65 5.025 6.770 -1.834 1.00 0.00 N ATOM 745 CA ALA A 65 5.511 6.729 -3.198 1.00 0.00 C ATOM 746 C ALA A 65 6.788 5.910 -3.330 1.00 0.00 C ATOM 747 O ALA A 65 7.328 5.406 -2.341 1.00 0.00 O ATOM 748 CB ALA A 65 5.733 8.143 -3.715 1.00 0.00 C ATOM 0 H ALA A 65 5.290 7.609 -1.318 1.00 0.00 H new ATOM 0 HA ALA A 65 4.749 6.237 -3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.098 8.102 -4.741 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.792 8.693 -3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.468 8.648 -3.088 1.00 0.00 H new ATOM 754 N ALA A 66 7.254 5.799 -4.567 1.00 0.00 N ATOM 755 CA ALA A 66 8.336 4.897 -4.938 1.00 0.00 C ATOM 756 C ALA A 66 9.570 5.049 -4.051 1.00 0.00 C ATOM 757 O ALA A 66 9.989 6.161 -3.731 1.00 0.00 O ATOM 758 CB ALA A 66 8.697 5.133 -6.394 1.00 0.00 C ATOM 0 H ALA A 66 6.887 6.339 -5.350 1.00 0.00 H new ATOM 0 HA ALA A 66 7.982 3.876 -4.794 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.507 4.462 -6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.826 4.940 -7.021 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.018 6.166 -6.526 1.00 0.00 H new ATOM 764 N GLY A 67 10.138 3.920 -3.650 1.00 0.00 N ATOM 765 CA GLY A 67 11.356 3.942 -2.869 1.00 0.00 C ATOM 766 C GLY A 67 11.092 3.925 -1.380 1.00 0.00 C ATOM 767 O GLY A 67 11.987 4.216 -0.582 1.00 0.00 O ATOM 0 H GLY A 67 9.775 2.988 -3.853 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.970 3.081 -3.135 1.00 0.00 H new ATOM 0 HA3 GLY A 67 11.930 4.833 -3.122 1.00 0.00 H new ATOM 771 N ASP A 68 9.862 3.611 -1.000 1.00 0.00 N ATOM 772 CA ASP A 68 9.518 3.496 0.411 1.00 0.00 C ATOM 773 C ASP A 68 9.399 2.034 0.811 1.00 0.00 C ATOM 774 O ASP A 68 9.298 1.146 -0.043 1.00 0.00 O ATOM 775 CB ASP A 68 8.208 4.217 0.720 1.00 0.00 C ATOM 776 CG ASP A 68 8.287 5.000 2.011 1.00 0.00 C ATOM 777 OD1 ASP A 68 8.687 6.186 1.961 1.00 0.00 O ATOM 778 OD2 ASP A 68 7.967 4.436 3.073 1.00 0.00 O ATOM 0 H ASP A 68 9.090 3.432 -1.643 1.00 0.00 H new ATOM 0 HA ASP A 68 10.317 3.965 0.985 1.00 0.00 H new ATOM 0 HB2 ASP A 68 7.963 4.892 -0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.399 3.489 0.786 1.00 0.00 H new ATOM 783 N GLU A 69 9.387 1.793 2.107 1.00 0.00 N ATOM 784 CA GLU A 69 9.364 0.439 2.628 1.00 0.00 C ATOM 785 C GLU A 69 8.003 0.133 3.233 1.00 0.00 C ATOM 786 O GLU A 69 7.706 0.530 4.360 1.00 0.00 O ATOM 787 CB GLU A 69 10.467 0.258 3.672 1.00 0.00 C ATOM 788 CG GLU A 69 10.594 -1.162 4.197 1.00 0.00 C ATOM 789 CD GLU A 69 11.749 -1.317 5.162 1.00 0.00 C ATOM 790 OE1 GLU A 69 12.904 -1.428 4.695 1.00 0.00 O ATOM 791 OE2 GLU A 69 11.512 -1.327 6.387 1.00 0.00 O ATOM 0 H GLU A 69 9.393 2.520 2.822 1.00 0.00 H new ATOM 0 HA GLU A 69 9.543 -0.258 1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.419 0.560 3.236 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.274 0.928 4.510 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.667 -1.447 4.695 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.729 -1.846 3.359 1.00 0.00 H new ATOM 798 N ILE A 70 7.173 -0.565 2.477 1.00 0.00 N ATOM 799 CA ILE A 70 5.840 -0.912 2.948 1.00 0.00 C ATOM 800 C ILE A 70 5.912 -2.169 3.806 1.00 0.00 C ATOM 801 O ILE A 70 6.084 -3.275 3.295 1.00 0.00 O ATOM 802 CB ILE A 70 4.852 -1.129 1.782 1.00 0.00 C ATOM 803 CG1 ILE A 70 4.942 0.026 0.781 1.00 0.00 C ATOM 804 CG2 ILE A 70 3.428 -1.276 2.305 1.00 0.00 C ATOM 805 CD1 ILE A 70 4.672 1.386 1.384 1.00 0.00 C ATOM 0 H ILE A 70 7.395 -0.902 1.540 1.00 0.00 H new ATOM 0 HA ILE A 70 5.469 -0.076 3.541 1.00 0.00 H new ATOM 0 HB ILE A 70 5.124 -2.051 1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.936 0.029 0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.231 -0.150 -0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.747 -1.428 1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.374 -2.132 2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.144 -0.373 2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.755 2.150 0.611 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.667 1.404 1.806 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.399 1.586 2.171 1.00 0.00 H new ATOM 817 N THR A 71 5.788 -1.988 5.110 1.00 0.00 N ATOM 818 CA THR A 71 6.001 -3.071 6.052 1.00 0.00 C ATOM 819 C THR A 71 4.683 -3.666 6.563 1.00 0.00 C ATOM 820 O THR A 71 4.676 -4.764 7.122 1.00 0.00 O ATOM 821 CB THR A 71 6.882 -2.604 7.239 1.00 0.00 C ATOM 822 OG1 THR A 71 6.987 -3.631 8.234 1.00 0.00 O ATOM 823 CG2 THR A 71 6.333 -1.335 7.871 1.00 0.00 C ATOM 0 H THR A 71 5.540 -1.097 5.541 1.00 0.00 H new ATOM 0 HA THR A 71 6.525 -3.861 5.514 1.00 0.00 H new ATOM 0 HB THR A 71 7.874 -2.392 6.840 1.00 0.00 H new ATOM 0 HG1 THR A 71 6.342 -4.342 8.039 1.00 0.00 H new ATOM 0 HG21 THR A 71 6.974 -1.035 8.700 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.306 -0.540 7.126 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.324 -1.520 8.241 1.00 0.00 H new ATOM 831 N GLY A 72 3.568 -2.970 6.363 1.00 0.00 N ATOM 832 CA GLY A 72 2.297 -3.494 6.832 1.00 0.00 C ATOM 833 C GLY A 72 1.153 -3.268 5.866 1.00 0.00 C ATOM 834 O GLY A 72 0.999 -2.180 5.310 1.00 0.00 O ATOM 0 H GLY A 72 3.520 -2.066 5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 72 2.400 -4.563 7.016 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.052 -3.029 7.787 1.00 0.00 H new ATOM 838 N VAL A 73 0.346 -4.305 5.687 1.00 0.00 N ATOM 839 CA VAL A 73 -0.819 -4.264 4.848 1.00 0.00 C ATOM 840 C VAL A 73 -2.068 -4.170 5.720 1.00 0.00 C ATOM 841 O VAL A 73 -2.304 -5.029 6.564 1.00 0.00 O ATOM 842 CB VAL A 73 -0.892 -5.529 3.957 1.00 0.00 C ATOM 843 CG1 VAL A 73 -0.228 -6.723 4.629 1.00 0.00 C ATOM 844 CG2 VAL A 73 -2.324 -5.879 3.682 1.00 0.00 C ATOM 0 H VAL A 73 0.495 -5.210 6.134 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.758 -3.389 4.200 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.366 -5.305 3.029 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.298 -7.593 3.976 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.821 -6.496 4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.731 -6.936 5.572 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.367 -6.770 3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.838 -6.073 4.623 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.809 -5.049 3.168 1.00 0.00 H new ATOM 854 N ASN A 74 -2.839 -3.109 5.534 1.00 0.00 N ATOM 855 CA ASN A 74 -4.067 -2.881 6.302 1.00 0.00 C ATOM 856 C ASN A 74 -3.782 -2.930 7.808 1.00 0.00 C ATOM 857 O ASN A 74 -4.629 -3.318 8.609 1.00 0.00 O ATOM 858 CB ASN A 74 -5.151 -3.901 5.925 1.00 0.00 C ATOM 859 CG ASN A 74 -6.525 -3.500 6.432 1.00 0.00 C ATOM 860 OD1 ASN A 74 -6.837 -2.314 6.540 1.00 0.00 O ATOM 861 ND2 ASN A 74 -7.355 -4.484 6.742 1.00 0.00 N ATOM 0 H ASN A 74 -2.637 -2.380 4.850 1.00 0.00 H new ATOM 0 HA ASN A 74 -4.438 -1.886 6.054 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -5.184 -4.008 4.841 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.886 -4.876 6.334 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -8.292 -4.272 7.085 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.057 -5.454 6.638 1.00 0.00 H new ATOM 868 N GLY A 75 -2.566 -2.547 8.179 1.00 0.00 N ATOM 869 CA GLY A 75 -2.189 -2.505 9.577 1.00 0.00 C ATOM 870 C GLY A 75 -1.373 -3.707 10.028 1.00 0.00 C ATOM 871 O GLY A 75 -0.653 -3.623 11.023 1.00 0.00 O ATOM 0 H GLY A 75 -1.831 -2.263 7.531 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.615 -1.597 9.762 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -3.091 -2.441 10.185 1.00 0.00 H new ATOM 875 N ARG A 76 -1.453 -4.820 9.304 1.00 0.00 N ATOM 876 CA ARG A 76 -0.744 -6.019 9.682 1.00 0.00 C ATOM 877 C ARG A 76 0.480 -6.222 8.793 1.00 0.00 C ATOM 878 O ARG A 76 0.384 -6.126 7.576 1.00 0.00 O ATOM 879 CB ARG A 76 -1.698 -7.206 9.589 1.00 0.00 C ATOM 880 CG ARG A 76 -2.377 -7.360 8.242 1.00 0.00 C ATOM 881 CD ARG A 76 -3.687 -8.126 8.346 1.00 0.00 C ATOM 882 NE ARG A 76 -4.684 -7.392 9.126 1.00 0.00 N ATOM 883 CZ ARG A 76 -5.979 -7.313 8.810 1.00 0.00 C ATOM 884 NH1 ARG A 76 -6.448 -7.909 7.717 1.00 0.00 N ATOM 885 NH2 ARG A 76 -6.805 -6.625 9.583 1.00 0.00 N ATOM 0 H ARG A 76 -2.006 -4.907 8.451 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.387 -5.928 10.708 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.145 -8.119 9.810 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.463 -7.103 10.358 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.567 -6.374 7.817 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -1.707 -7.879 7.556 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.077 -8.318 7.346 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.505 -9.096 8.809 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.369 -6.909 9.967 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -5.817 -8.433 7.111 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -7.439 -7.842 7.485 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -6.452 -6.157 10.418 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.795 -6.563 9.344 1.00 0.00 H new ATOM 899 N SER A 77 1.628 -6.483 9.414 1.00 0.00 N ATOM 900 CA SER A 77 2.889 -6.658 8.691 1.00 0.00 C ATOM 901 C SER A 77 2.744 -7.608 7.499 1.00 0.00 C ATOM 902 O SER A 77 2.131 -8.674 7.602 1.00 0.00 O ATOM 903 CB SER A 77 3.969 -7.170 9.643 1.00 0.00 C ATOM 904 OG SER A 77 4.313 -6.182 10.602 1.00 0.00 O ATOM 0 H SER A 77 1.712 -6.579 10.426 1.00 0.00 H new ATOM 0 HA SER A 77 3.179 -5.684 8.297 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.615 -8.067 10.151 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.855 -7.454 9.075 1.00 0.00 H new ATOM 0 HG SER A 77 5.004 -6.534 11.201 1.00 0.00 H new ATOM 910 N ILE A 78 3.337 -7.214 6.369 1.00 0.00 N ATOM 911 CA ILE A 78 3.178 -7.951 5.115 1.00 0.00 C ATOM 912 C ILE A 78 4.028 -9.207 5.147 1.00 0.00 C ATOM 913 O ILE A 78 3.791 -10.163 4.409 1.00 0.00 O ATOM 914 CB ILE A 78 3.588 -7.122 3.865 1.00 0.00 C ATOM 915 CG1 ILE A 78 5.113 -7.120 3.648 1.00 0.00 C ATOM 916 CG2 ILE A 78 3.069 -5.695 3.951 1.00 0.00 C ATOM 917 CD1 ILE A 78 5.907 -6.354 4.684 1.00 0.00 C ATOM 0 H ILE A 78 3.932 -6.388 6.298 1.00 0.00 H new ATOM 0 HA ILE A 78 2.118 -8.188 5.031 1.00 0.00 H new ATOM 0 HB ILE A 78 3.128 -7.608 3.005 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.464 -8.152 3.634 1.00 0.00 H new ATOM 0 HG13 ILE A 78 5.324 -6.698 2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.373 -5.143 3.062 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.981 -5.707 4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 78 3.480 -5.211 4.837 1.00 0.00 H new ATOM 0 HD11 ILE A 78 6.969 -6.412 4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 78 5.591 -5.311 4.686 1.00 0.00 H new ATOM 0 HD13 ILE A 78 5.733 -6.787 5.669 1.00 0.00 H new ATOM 929 N LYS A 79 5.004 -9.181 6.039 1.00 0.00 N ATOM 930 CA LYS A 79 6.014 -10.217 6.151 1.00 0.00 C ATOM 931 C LYS A 79 5.401 -11.535 6.623 1.00 0.00 C ATOM 932 O LYS A 79 6.031 -12.591 6.563 1.00 0.00 O ATOM 933 CB LYS A 79 7.093 -9.717 7.115 1.00 0.00 C ATOM 934 CG LYS A 79 8.261 -10.669 7.317 1.00 0.00 C ATOM 935 CD LYS A 79 9.336 -10.040 8.190 1.00 0.00 C ATOM 936 CE LYS A 79 10.557 -10.936 8.313 1.00 0.00 C ATOM 937 NZ LYS A 79 11.631 -10.298 9.119 1.00 0.00 N ATOM 0 H LYS A 79 5.118 -8.427 6.716 1.00 0.00 H new ATOM 0 HA LYS A 79 6.458 -10.419 5.176 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.478 -8.766 6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.632 -9.520 8.083 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.907 -11.591 7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.685 -10.939 6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.631 -9.079 7.768 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.929 -9.841 9.182 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.269 -11.881 8.774 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.938 -11.169 7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.447 -10.940 9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.923 -9.409 8.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.275 -10.099 10.076 1.00 0.00 H new ATOM 951 N GLY A 80 4.160 -11.463 7.084 1.00 0.00 N ATOM 952 CA GLY A 80 3.449 -12.657 7.477 1.00 0.00 C ATOM 953 C GLY A 80 2.820 -13.370 6.295 1.00 0.00 C ATOM 954 O GLY A 80 2.528 -14.564 6.370 1.00 0.00 O ATOM 0 H GLY A 80 3.634 -10.596 7.192 1.00 0.00 H new ATOM 0 HA2 GLY A 80 4.135 -13.335 7.984 1.00 0.00 H new ATOM 0 HA3 GLY A 80 2.672 -12.394 8.195 1.00 0.00 H new ATOM 958 N LYS A 81 2.618 -12.650 5.194 1.00 0.00 N ATOM 959 CA LYS A 81 1.974 -13.228 4.021 1.00 0.00 C ATOM 960 C LYS A 81 2.995 -13.446 2.912 1.00 0.00 C ATOM 961 O LYS A 81 4.081 -13.982 3.126 1.00 0.00 O ATOM 962 CB LYS A 81 0.856 -12.323 3.460 1.00 0.00 C ATOM 963 CG LYS A 81 -0.160 -11.809 4.452 1.00 0.00 C ATOM 964 CD LYS A 81 0.404 -10.654 5.248 1.00 0.00 C ATOM 965 CE LYS A 81 -0.526 -10.234 6.377 1.00 0.00 C ATOM 966 NZ LYS A 81 -0.803 -11.350 7.320 1.00 0.00 N ATOM 0 H LYS A 81 2.889 -11.672 5.091 1.00 0.00 H new ATOM 0 HA LYS A 81 1.537 -14.173 4.344 1.00 0.00 H new ATOM 0 HB2 LYS A 81 1.323 -11.466 2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 81 0.326 -12.877 2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -1.059 -11.489 3.926 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -0.455 -12.612 5.127 1.00 0.00 H new ATOM 0 HD2 LYS A 81 1.372 -10.937 5.662 1.00 0.00 H new ATOM 0 HD3 LYS A 81 0.576 -9.806 4.585 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -0.080 -9.402 6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -1.465 -9.874 5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -1.157 -10.965 8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.519 -11.983 6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 0.073 -11.884 7.493 1.00 0.00 H new ATOM 980 N THR A 82 2.614 -12.989 1.734 1.00 0.00 N ATOM 981 CA THR A 82 3.397 -13.102 0.520 1.00 0.00 C ATOM 982 C THR A 82 2.898 -12.021 -0.426 1.00 0.00 C ATOM 983 O THR A 82 1.793 -11.521 -0.234 1.00 0.00 O ATOM 984 CB THR A 82 3.233 -14.490 -0.149 1.00 0.00 C ATOM 985 OG1 THR A 82 3.287 -15.530 0.835 1.00 0.00 O ATOM 986 CG2 THR A 82 4.323 -14.731 -1.184 1.00 0.00 C ATOM 0 H THR A 82 1.723 -12.514 1.592 1.00 0.00 H new ATOM 0 HA THR A 82 4.455 -12.986 0.755 1.00 0.00 H new ATOM 0 HB THR A 82 2.262 -14.503 -0.644 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.379 -15.745 1.134 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.183 -15.712 -1.638 1.00 0.00 H new ATOM 0 HG22 THR A 82 4.268 -13.963 -1.956 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.299 -14.690 -0.701 1.00 0.00 H new ATOM 994 N LYS A 83 3.697 -11.659 -1.414 1.00 0.00 N ATOM 995 CA LYS A 83 3.352 -10.589 -2.355 1.00 0.00 C ATOM 996 C LYS A 83 1.927 -10.734 -2.878 1.00 0.00 C ATOM 997 O LYS A 83 1.082 -9.865 -2.679 1.00 0.00 O ATOM 998 CB LYS A 83 4.325 -10.607 -3.530 1.00 0.00 C ATOM 999 CG LYS A 83 5.634 -11.253 -3.188 1.00 0.00 C ATOM 1000 CD LYS A 83 6.727 -10.810 -4.135 1.00 0.00 C ATOM 1001 CE LYS A 83 8.008 -11.549 -3.850 1.00 0.00 C ATOM 1002 NZ LYS A 83 9.130 -11.059 -4.688 1.00 0.00 N ATOM 0 H LYS A 83 4.603 -12.092 -1.593 1.00 0.00 H new ATOM 0 HA LYS A 83 3.422 -9.641 -1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.869 -11.139 -4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.505 -9.585 -3.863 1.00 0.00 H new ATOM 0 HG2 LYS A 83 5.911 -11.000 -2.165 1.00 0.00 H new ATOM 0 HG3 LYS A 83 5.530 -12.337 -3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.418 -10.990 -5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.890 -9.737 -4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.265 -11.436 -2.797 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.860 -12.614 -4.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 9.763 -11.851 -4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 8.754 -10.649 -5.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.661 -10.332 -4.167 1.00 0.00 H new ATOM 1016 N VAL A 84 1.668 -11.839 -3.537 1.00 0.00 N ATOM 1017 CA VAL A 84 0.364 -12.105 -4.102 1.00 0.00 C ATOM 1018 C VAL A 84 -0.752 -12.011 -3.049 1.00 0.00 C ATOM 1019 O VAL A 84 -1.860 -11.551 -3.339 1.00 0.00 O ATOM 1020 CB VAL A 84 0.363 -13.490 -4.772 1.00 0.00 C ATOM 1021 CG1 VAL A 84 0.864 -14.560 -3.816 1.00 0.00 C ATOM 1022 CG2 VAL A 84 -1.014 -13.826 -5.270 1.00 0.00 C ATOM 0 H VAL A 84 2.353 -12.578 -3.697 1.00 0.00 H new ATOM 0 HA VAL A 84 0.159 -11.339 -4.850 1.00 0.00 H new ATOM 0 HB VAL A 84 1.044 -13.458 -5.623 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.853 -15.529 -4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.882 -14.323 -3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.217 -14.596 -2.939 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.001 -14.808 -5.742 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.712 -13.835 -4.433 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.330 -13.078 -5.997 1.00 0.00 H new ATOM 1032 N GLU A 85 -0.438 -12.410 -1.824 1.00 0.00 N ATOM 1033 CA GLU A 85 -1.413 -12.416 -0.745 1.00 0.00 C ATOM 1034 C GLU A 85 -1.647 -11.011 -0.187 1.00 0.00 C ATOM 1035 O GLU A 85 -2.783 -10.633 0.065 1.00 0.00 O ATOM 1036 CB GLU A 85 -0.958 -13.363 0.368 1.00 0.00 C ATOM 1037 CG GLU A 85 -0.672 -14.772 -0.124 1.00 0.00 C ATOM 1038 CD GLU A 85 -0.398 -15.748 1.002 1.00 0.00 C ATOM 1039 OE1 GLU A 85 -1.364 -16.310 1.555 1.00 0.00 O ATOM 1040 OE2 GLU A 85 0.785 -15.973 1.328 1.00 0.00 O ATOM 0 H GLU A 85 0.490 -12.735 -1.553 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.360 -12.769 -1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.060 -12.959 0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.728 -13.404 1.139 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.522 -15.127 -0.706 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.187 -14.749 -0.795 1.00 0.00 H new ATOM 1047 N VAL A 86 -0.577 -10.247 0.015 1.00 0.00 N ATOM 1048 CA VAL A 86 -0.689 -8.883 0.543 1.00 0.00 C ATOM 1049 C VAL A 86 -1.566 -7.989 -0.343 1.00 0.00 C ATOM 1050 O VAL A 86 -2.445 -7.290 0.161 1.00 0.00 O ATOM 1051 CB VAL A 86 0.695 -8.219 0.757 1.00 0.00 C ATOM 1052 CG1 VAL A 86 1.559 -9.070 1.670 1.00 0.00 C ATOM 1053 CG2 VAL A 86 1.428 -7.948 -0.545 1.00 0.00 C ATOM 0 H VAL A 86 0.379 -10.546 -0.178 1.00 0.00 H new ATOM 0 HA VAL A 86 -1.172 -8.982 1.515 1.00 0.00 H new ATOM 0 HB VAL A 86 0.506 -7.254 1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 86 2.527 -8.588 1.809 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.067 -9.181 2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.704 -10.053 1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.390 -7.483 -0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 86 1.589 -8.887 -1.074 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.832 -7.279 -1.166 1.00 0.00 H new ATOM 1063 N ALA A 87 -1.323 -8.016 -1.650 1.00 0.00 N ATOM 1064 CA ALA A 87 -2.164 -7.293 -2.612 1.00 0.00 C ATOM 1065 C ALA A 87 -3.612 -7.743 -2.487 1.00 0.00 C ATOM 1066 O ALA A 87 -4.534 -6.928 -2.577 1.00 0.00 O ATOM 1067 CB ALA A 87 -1.668 -7.510 -4.026 1.00 0.00 C ATOM 0 H ALA A 87 -0.550 -8.530 -2.073 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.105 -6.228 -2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.305 -6.966 -4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.644 -7.147 -4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.697 -8.574 -4.263 1.00 0.00 H new ATOM 1073 N LYS A 88 -3.809 -9.044 -2.268 1.00 0.00 N ATOM 1074 CA LYS A 88 -5.139 -9.565 -2.011 1.00 0.00 C ATOM 1075 C LYS A 88 -5.704 -8.930 -0.761 1.00 0.00 C ATOM 1076 O LYS A 88 -6.746 -8.312 -0.810 1.00 0.00 O ATOM 1077 CB LYS A 88 -5.145 -11.074 -1.843 1.00 0.00 C ATOM 1078 CG LYS A 88 -6.511 -11.605 -1.459 1.00 0.00 C ATOM 1079 CD LYS A 88 -6.562 -13.104 -1.576 1.00 0.00 C ATOM 1080 CE LYS A 88 -5.944 -13.755 -0.363 1.00 0.00 C ATOM 1081 NZ LYS A 88 -6.854 -13.707 0.814 1.00 0.00 N ATOM 0 H LYS A 88 -3.068 -9.745 -2.265 1.00 0.00 H new ATOM 0 HA LYS A 88 -5.753 -9.320 -2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -4.824 -11.542 -2.774 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.420 -11.355 -1.079 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -6.745 -11.309 -0.437 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -7.271 -11.161 -2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.596 -13.430 -1.683 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -6.033 -13.422 -2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -5.700 -14.792 -0.592 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -5.007 -13.254 -0.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -6.324 -13.958 1.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.241 -12.747 0.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -7.633 -14.382 0.678 1.00 0.00 H new ATOM 1095 N MET A 89 -4.983 -9.071 0.347 1.00 0.00 N ATOM 1096 CA MET A 89 -5.410 -8.545 1.637 1.00 0.00 C ATOM 1097 C MET A 89 -5.852 -7.095 1.519 1.00 0.00 C ATOM 1098 O MET A 89 -6.879 -6.695 2.064 1.00 0.00 O ATOM 1099 CB MET A 89 -4.277 -8.666 2.626 1.00 0.00 C ATOM 1100 CG MET A 89 -3.843 -10.096 2.823 1.00 0.00 C ATOM 1101 SD MET A 89 -5.220 -11.235 3.060 1.00 0.00 S ATOM 1102 CE MET A 89 -4.338 -12.793 3.124 1.00 0.00 C ATOM 0 H MET A 89 -4.085 -9.554 0.375 1.00 0.00 H new ATOM 0 HA MET A 89 -6.264 -9.126 1.986 1.00 0.00 H new ATOM 0 HB2 MET A 89 -3.429 -8.075 2.279 1.00 0.00 H new ATOM 0 HB3 MET A 89 -4.586 -8.247 3.583 1.00 0.00 H new ATOM 0 HG2 MET A 89 -3.262 -10.414 1.957 1.00 0.00 H new ATOM 0 HG3 MET A 89 -3.182 -10.152 3.688 1.00 0.00 H new ATOM 0 HE1 MET A 89 -5.018 -13.583 3.443 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.945 -13.029 2.135 1.00 0.00 H new ATOM 0 HE3 MET A 89 -3.514 -12.716 3.833 1.00 0.00 H new ATOM 1112 N ILE A 90 -5.073 -6.328 0.774 1.00 0.00 N ATOM 1113 CA ILE A 90 -5.376 -4.934 0.515 1.00 0.00 C ATOM 1114 C ILE A 90 -6.691 -4.780 -0.246 1.00 0.00 C ATOM 1115 O ILE A 90 -7.595 -4.093 0.217 1.00 0.00 O ATOM 1116 CB ILE A 90 -4.218 -4.266 -0.258 1.00 0.00 C ATOM 1117 CG1 ILE A 90 -3.037 -4.066 0.698 1.00 0.00 C ATOM 1118 CG2 ILE A 90 -4.646 -2.941 -0.891 1.00 0.00 C ATOM 1119 CD1 ILE A 90 -1.746 -3.656 0.028 1.00 0.00 C ATOM 0 H ILE A 90 -4.214 -6.656 0.333 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.491 -4.433 1.476 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.919 -4.918 -1.079 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.306 -3.307 1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.868 -4.994 1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.802 -2.504 -1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.465 -3.119 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.976 -2.255 -0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.967 -3.538 0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.447 -4.423 -0.686 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.892 -2.711 -0.495 1.00 0.00 H new ATOM 1131 N GLN A 91 -6.823 -5.436 -1.392 1.00 0.00 N ATOM 1132 CA GLN A 91 -7.997 -5.246 -2.224 1.00 0.00 C ATOM 1133 C GLN A 91 -9.209 -5.999 -1.664 1.00 0.00 C ATOM 1134 O GLN A 91 -10.351 -5.629 -1.927 1.00 0.00 O ATOM 1135 CB GLN A 91 -7.699 -5.677 -3.658 1.00 0.00 C ATOM 1136 CG GLN A 91 -7.691 -7.176 -3.871 1.00 0.00 C ATOM 1137 CD GLN A 91 -7.198 -7.562 -5.251 1.00 0.00 C ATOM 1138 OE1 GLN A 91 -6.364 -6.875 -5.837 1.00 0.00 O ATOM 1139 NE2 GLN A 91 -7.705 -8.662 -5.779 1.00 0.00 N ATOM 0 H GLN A 91 -6.139 -6.096 -1.761 1.00 0.00 H new ATOM 0 HA GLN A 91 -8.247 -4.185 -2.223 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -8.442 -5.232 -4.320 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -6.729 -5.275 -3.951 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -7.057 -7.644 -3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -8.698 -7.566 -3.726 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.395 -9.205 -5.261 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -7.406 -8.968 -6.705 1.00 0.00 H new ATOM 1148 N GLU A 92 -8.940 -7.011 -0.857 1.00 0.00 N ATOM 1149 CA GLU A 92 -9.964 -7.884 -0.295 1.00 0.00 C ATOM 1150 C GLU A 92 -10.819 -7.160 0.732 1.00 0.00 C ATOM 1151 O GLU A 92 -12.048 -7.181 0.656 1.00 0.00 O ATOM 1152 CB GLU A 92 -9.286 -9.091 0.346 1.00 0.00 C ATOM 1153 CG GLU A 92 -10.210 -9.949 1.177 1.00 0.00 C ATOM 1154 CD GLU A 92 -9.479 -11.076 1.877 1.00 0.00 C ATOM 1155 OE1 GLU A 92 -8.752 -11.835 1.202 1.00 0.00 O ATOM 1156 OE2 GLU A 92 -9.640 -11.217 3.108 1.00 0.00 O ATOM 0 H GLU A 92 -7.993 -7.255 -0.568 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.625 -8.205 -1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -8.845 -9.706 -0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.467 -8.742 0.976 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.709 -9.327 1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.987 -10.366 0.537 1.00 0.00 H new ATOM 1163 N VAL A 93 -10.152 -6.546 1.701 1.00 0.00 N ATOM 1164 CA VAL A 93 -10.830 -5.791 2.760 1.00 0.00 C ATOM 1165 C VAL A 93 -11.856 -4.813 2.184 1.00 0.00 C ATOM 1166 O VAL A 93 -12.919 -4.619 2.775 1.00 0.00 O ATOM 1167 CB VAL A 93 -9.834 -5.039 3.677 1.00 0.00 C ATOM 1168 CG1 VAL A 93 -8.883 -6.024 4.331 1.00 0.00 C ATOM 1169 CG2 VAL A 93 -9.057 -3.968 2.920 1.00 0.00 C ATOM 0 H VAL A 93 -9.135 -6.554 1.780 1.00 0.00 H new ATOM 0 HA VAL A 93 -11.354 -6.526 3.370 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.413 -4.532 4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -8.187 -5.485 4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -9.452 -6.737 4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.327 -6.559 3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.371 -3.466 3.602 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.491 -4.432 2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.753 -3.239 2.504 1.00 0.00 H new ATOM 1179 N LYS A 94 -11.532 -4.222 1.029 1.00 0.00 N ATOM 1180 CA LYS A 94 -12.478 -3.399 0.263 1.00 0.00 C ATOM 1181 C LYS A 94 -12.840 -2.096 0.985 1.00 0.00 C ATOM 1182 O LYS A 94 -13.106 -2.080 2.184 1.00 0.00 O ATOM 1183 CB LYS A 94 -13.750 -4.205 -0.035 1.00 0.00 C ATOM 1184 CG LYS A 94 -14.788 -3.454 -0.856 1.00 0.00 C ATOM 1185 CD LYS A 94 -16.118 -4.194 -0.889 1.00 0.00 C ATOM 1186 CE LYS A 94 -15.998 -5.556 -1.556 1.00 0.00 C ATOM 1187 NZ LYS A 94 -15.651 -5.445 -2.996 1.00 0.00 N ATOM 0 H LYS A 94 -10.610 -4.299 0.599 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.986 -3.124 -0.670 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.473 -5.116 -0.566 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -14.202 -4.511 0.909 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -14.935 -2.459 -0.436 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -14.420 -3.319 -1.873 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -16.488 -4.320 0.129 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -16.854 -3.593 -1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -15.236 -6.144 -1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -16.940 -6.095 -1.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.729 -6.380 -3.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -16.304 -4.783 -3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.677 -5.095 -3.092 1.00 0.00 H new ATOM 1201 N GLY A 95 -12.830 -0.995 0.248 1.00 0.00 N ATOM 1202 CA GLY A 95 -13.319 0.253 0.792 1.00 0.00 C ATOM 1203 C GLY A 95 -12.210 1.187 1.210 1.00 0.00 C ATOM 1204 O GLY A 95 -12.207 2.358 0.837 1.00 0.00 O ATOM 0 H GLY A 95 -12.493 -0.944 -0.713 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.943 0.748 0.048 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -13.955 0.044 1.652 1.00 0.00 H new ATOM 1208 N GLU A 96 -11.246 0.668 1.953 1.00 0.00 N ATOM 1209 CA GLU A 96 -10.206 1.489 2.506 1.00 0.00 C ATOM 1210 C GLU A 96 -8.906 0.720 2.554 1.00 0.00 C ATOM 1211 O GLU A 96 -8.845 -0.451 2.172 1.00 0.00 O ATOM 1212 CB GLU A 96 -10.580 1.955 3.905 1.00 0.00 C ATOM 1213 CG GLU A 96 -10.593 0.827 4.908 1.00 0.00 C ATOM 1214 CD GLU A 96 -10.821 1.305 6.325 1.00 0.00 C ATOM 1215 OE1 GLU A 96 -11.995 1.404 6.741 1.00 0.00 O ATOM 1216 OE2 GLU A 96 -9.830 1.590 7.029 1.00 0.00 O ATOM 0 H GLU A 96 -11.171 -0.323 2.182 1.00 0.00 H new ATOM 0 HA GLU A 96 -10.082 2.363 1.867 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -9.873 2.718 4.231 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -11.564 2.423 3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -11.375 0.117 4.639 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -9.645 0.292 4.858 1.00 0.00 H new ATOM 1223 N VAL A 97 -7.880 1.393 3.023 1.00 0.00 N ATOM 1224 CA VAL A 97 -6.544 0.829 3.106 1.00 0.00 C ATOM 1225 C VAL A 97 -5.835 1.370 4.346 1.00 0.00 C ATOM 1226 O VAL A 97 -6.177 2.446 4.844 1.00 0.00 O ATOM 1227 CB VAL A 97 -5.687 1.177 1.857 1.00 0.00 C ATOM 1228 CG1 VAL A 97 -6.430 0.876 0.567 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -5.264 2.634 1.878 1.00 0.00 C ATOM 0 H VAL A 97 -7.945 2.353 3.361 1.00 0.00 H new ATOM 0 HA VAL A 97 -6.651 -0.254 3.161 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.797 0.548 1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.799 1.132 -0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.678 -0.185 0.529 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.347 1.464 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.666 2.852 0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.149 3.270 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.673 2.828 2.773 1.00 0.00 H new ATOM 1239 N THR A 98 -4.874 0.624 4.858 1.00 0.00 N ATOM 1240 CA THR A 98 -4.031 1.105 5.939 1.00 0.00 C ATOM 1241 C THR A 98 -2.591 0.650 5.713 1.00 0.00 C ATOM 1242 O THR A 98 -2.241 -0.494 5.988 1.00 0.00 O ATOM 1243 CB THR A 98 -4.528 0.603 7.308 1.00 0.00 C ATOM 1244 OG1 THR A 98 -5.940 0.824 7.429 1.00 0.00 O ATOM 1245 CG2 THR A 98 -3.805 1.321 8.434 1.00 0.00 C ATOM 0 H THR A 98 -4.656 -0.321 4.542 1.00 0.00 H new ATOM 0 HA THR A 98 -4.077 2.194 5.943 1.00 0.00 H new ATOM 0 HB THR A 98 -4.320 -0.465 7.378 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.248 0.501 8.301 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.169 0.953 9.393 1.00 0.00 H new ATOM 0 HG22 THR A 98 -2.734 1.134 8.357 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.992 2.392 8.362 1.00 0.00 H new ATOM 1253 N ILE A 99 -1.764 1.539 5.195 1.00 0.00 N ATOM 1254 CA ILE A 99 -0.395 1.185 4.845 1.00 0.00 C ATOM 1255 C ILE A 99 0.555 1.492 5.982 1.00 0.00 C ATOM 1256 O ILE A 99 0.660 2.636 6.418 1.00 0.00 O ATOM 1257 CB ILE A 99 0.127 1.910 3.574 1.00 0.00 C ATOM 1258 CG1 ILE A 99 -0.574 3.256 3.345 1.00 0.00 C ATOM 1259 CG2 ILE A 99 -0.001 1.026 2.345 1.00 0.00 C ATOM 1260 CD1 ILE A 99 -1.960 3.152 2.759 1.00 0.00 C ATOM 0 H ILE A 99 -2.013 2.510 5.006 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.423 0.115 4.641 1.00 0.00 H new ATOM 0 HB ILE A 99 1.184 2.117 3.743 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -0.635 3.785 4.296 1.00 0.00 H new ATOM 0 HG13 ILE A 99 0.042 3.863 2.681 1.00 0.00 H new ATOM 0 HG21 ILE A 99 0.372 1.561 1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 99 0.581 0.116 2.489 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.048 0.766 2.191 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.377 4.151 2.632 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.909 2.654 1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.596 2.575 3.430 1.00 0.00 H new ATOM 1272 N HIS A 100 1.237 0.469 6.465 1.00 0.00 N ATOM 1273 CA HIS A 100 2.299 0.666 7.432 1.00 0.00 C ATOM 1274 C HIS A 100 3.604 0.748 6.671 1.00 0.00 C ATOM 1275 O HIS A 100 3.905 -0.119 5.851 1.00 0.00 O ATOM 1276 CB HIS A 100 2.362 -0.478 8.439 1.00 0.00 C ATOM 1277 CG HIS A 100 3.065 -0.124 9.717 1.00 0.00 C ATOM 1278 ND1 HIS A 100 3.962 -0.965 10.340 1.00 0.00 N ATOM 1279 CD2 HIS A 100 2.996 0.983 10.492 1.00 0.00 C ATOM 1280 CE1 HIS A 100 4.416 -0.388 11.436 1.00 0.00 C ATOM 1281 NE2 HIS A 100 3.846 0.794 11.551 1.00 0.00 N ATOM 0 H HIS A 100 1.074 -0.503 6.204 1.00 0.00 H new ATOM 0 HA HIS A 100 2.110 1.581 7.993 1.00 0.00 H new ATOM 0 HB2 HIS A 100 1.347 -0.801 8.671 1.00 0.00 H new ATOM 0 HB3 HIS A 100 2.869 -1.326 7.979 1.00 0.00 H new ATOM 0 HD2 HIS A 100 2.384 1.854 10.310 1.00 0.00 H new ATOM 0 HE1 HIS A 100 5.133 -0.813 12.123 1.00 0.00 H new ATOM 0 HE2 HIS A 100 4.010 1.460 12.305 1.00 0.00 H new ATOM 1290 N TYR A 101 4.373 1.773 6.938 1.00 0.00 N ATOM 1291 CA TYR A 101 5.561 2.042 6.151 1.00 0.00 C ATOM 1292 C TYR A 101 6.728 2.477 7.021 1.00 0.00 C ATOM 1293 O TYR A 101 6.552 2.857 8.183 1.00 0.00 O ATOM 1294 CB TYR A 101 5.263 3.116 5.096 1.00 0.00 C ATOM 1295 CG TYR A 101 4.612 4.365 5.655 1.00 0.00 C ATOM 1296 CD1 TYR A 101 5.296 5.199 6.529 1.00 0.00 C ATOM 1297 CD2 TYR A 101 3.314 4.710 5.308 1.00 0.00 C ATOM 1298 CE1 TYR A 101 4.708 6.336 7.040 1.00 0.00 C ATOM 1299 CE2 TYR A 101 2.721 5.849 5.816 1.00 0.00 C ATOM 1300 CZ TYR A 101 3.422 6.657 6.682 1.00 0.00 C ATOM 1301 OH TYR A 101 2.833 7.793 7.193 1.00 0.00 O ATOM 0 H TYR A 101 4.202 2.438 7.693 1.00 0.00 H new ATOM 0 HA TYR A 101 5.845 1.114 5.655 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.194 3.394 4.602 1.00 0.00 H new ATOM 0 HB3 TYR A 101 4.612 2.690 4.332 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.308 4.952 6.814 1.00 0.00 H new ATOM 0 HD2 TYR A 101 2.759 4.078 4.630 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.257 6.972 7.719 1.00 0.00 H new ATOM 0 HE2 TYR A 101 1.710 6.105 5.535 1.00 0.00 H new ATOM 0 HH TYR A 101 1.997 7.553 7.644 1.00 0.00 H new ATOM 1311 N ASN A 102 7.907 2.417 6.431 1.00 0.00 N ATOM 1312 CA ASN A 102 9.136 2.876 7.052 1.00 0.00 C ATOM 1313 C ASN A 102 9.869 3.708 6.013 1.00 0.00 C ATOM 1314 O ASN A 102 10.475 3.161 5.093 1.00 0.00 O ATOM 1315 CB ASN A 102 10.019 1.694 7.489 1.00 0.00 C ATOM 1316 CG ASN A 102 9.328 0.722 8.427 1.00 0.00 C ATOM 1317 OD1 ASN A 102 8.507 1.104 9.259 1.00 0.00 O ATOM 1318 ND2 ASN A 102 9.658 -0.555 8.292 1.00 0.00 N ATOM 0 H ASN A 102 8.040 2.042 5.492 1.00 0.00 H new ATOM 0 HA ASN A 102 8.910 3.456 7.947 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.350 1.154 6.602 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.912 2.082 7.978 1.00 0.00 H new ATOM 0 HD21 ASN A 102 9.226 -1.259 8.890 1.00 0.00 H new ATOM 0 HD22 ASN A 102 10.344 -0.833 7.590 1.00 0.00 H new ATOM 1325 N LYS A 103 9.818 5.022 6.148 1.00 0.00 N ATOM 1326 CA LYS A 103 10.219 5.899 5.060 1.00 0.00 C ATOM 1327 C LYS A 103 11.670 6.306 5.179 1.00 0.00 C ATOM 1328 O LYS A 103 12.164 6.597 6.266 1.00 0.00 O ATOM 1329 CB LYS A 103 9.345 7.142 5.050 1.00 0.00 C ATOM 1330 CG LYS A 103 7.931 6.874 5.517 1.00 0.00 C ATOM 1331 CD LYS A 103 7.007 7.999 5.128 1.00 0.00 C ATOM 1332 CE LYS A 103 6.579 7.874 3.675 1.00 0.00 C ATOM 1333 NZ LYS A 103 5.977 9.132 3.163 1.00 0.00 N ATOM 0 H LYS A 103 9.506 5.502 6.992 1.00 0.00 H new ATOM 0 HA LYS A 103 10.095 5.349 4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 103 9.795 7.901 5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 103 9.317 7.552 4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 103 7.573 5.940 5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 103 7.920 6.749 6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 103 6.128 7.991 5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.507 8.955 5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 103 7.442 7.610 3.064 1.00 0.00 H new ATOM 0 HE3 LYS A 103 5.859 7.061 3.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 5.418 8.927 2.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 5.359 9.543 3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 6.732 9.808 2.928 1.00 0.00 H new ATOM 1347 N LEU A 104 12.348 6.336 4.048 1.00 0.00 N ATOM 1348 CA LEU A 104 13.767 6.621 4.026 1.00 0.00 C ATOM 1349 C LEU A 104 14.200 7.122 2.665 1.00 0.00 C ATOM 1350 O LEU A 104 14.818 8.181 2.560 1.00 0.00 O ATOM 1351 CB LEU A 104 14.604 5.384 4.434 1.00 0.00 C ATOM 1352 CG LEU A 104 14.507 4.113 3.559 1.00 0.00 C ATOM 1353 CD1 LEU A 104 15.397 3.026 4.133 1.00 0.00 C ATOM 1354 CD2 LEU A 104 13.084 3.591 3.451 1.00 0.00 C ATOM 0 H LEU A 104 11.936 6.166 3.130 1.00 0.00 H new ATOM 0 HA LEU A 104 13.949 7.407 4.759 1.00 0.00 H new ATOM 0 HB2 LEU A 104 15.651 5.687 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 104 14.320 5.111 5.450 1.00 0.00 H new ATOM 0 HG LEU A 104 14.837 4.386 2.557 1.00 0.00 H new ATOM 0 HD11 LEU A 104 15.325 2.132 3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 104 16.430 3.373 4.151 1.00 0.00 H new ATOM 0 HD13 LEU A 104 15.076 2.791 5.148 1.00 0.00 H new ATOM 0 HD21 LEU A 104 13.070 2.698 2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 104 12.711 3.344 4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 104 12.449 4.356 3.004 1.00 0.00 H new ATOM 1366 N GLN A 105 13.864 6.360 1.624 1.00 0.00 N ATOM 1367 CA GLN A 105 14.379 6.609 0.282 1.00 0.00 C ATOM 1368 C GLN A 105 15.907 6.527 0.299 1.00 0.00 C ATOM 1369 O GLN A 105 16.583 7.031 -0.599 1.00 0.00 O ATOM 1370 CB GLN A 105 13.918 7.972 -0.261 1.00 0.00 C ATOM 1371 CG GLN A 105 12.465 8.020 -0.733 1.00 0.00 C ATOM 1372 CD GLN A 105 11.446 7.849 0.383 1.00 0.00 C ATOM 1373 OE1 GLN A 105 11.050 8.816 1.033 1.00 0.00 O ATOM 1374 NE2 GLN A 105 10.996 6.623 0.594 1.00 0.00 N ATOM 0 H GLN A 105 13.233 5.561 1.688 1.00 0.00 H new ATOM 0 HA GLN A 105 13.980 5.845 -0.385 1.00 0.00 H new ATOM 0 HB2 GLN A 105 14.057 8.722 0.517 1.00 0.00 H new ATOM 0 HB3 GLN A 105 14.564 8.253 -1.093 1.00 0.00 H new ATOM 0 HG2 GLN A 105 12.287 8.973 -1.231 1.00 0.00 H new ATOM 0 HG3 GLN A 105 12.309 7.238 -1.476 1.00 0.00 H new ATOM 0 HE21 GLN A 105 11.349 5.847 0.034 1.00 0.00 H new ATOM 0 HE22 GLN A 105 10.296 6.454 1.316 1.00 0.00 H new ATOM 1383 N ALA A 106 16.426 5.888 1.354 1.00 0.00 N ATOM 1384 CA ALA A 106 17.856 5.692 1.556 1.00 0.00 C ATOM 1385 C ALA A 106 18.605 7.023 1.612 1.00 0.00 C ATOM 1386 O ALA A 106 18.004 8.086 1.781 1.00 0.00 O ATOM 1387 CB ALA A 106 18.414 4.794 0.465 1.00 0.00 C ATOM 0 H ALA A 106 15.853 5.490 2.098 1.00 0.00 H new ATOM 0 HA ALA A 106 18.002 5.205 2.520 1.00 0.00 H new ATOM 0 HB1 ALA A 106 19.483 4.652 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 106 17.911 3.828 0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 106 18.249 5.257 -0.508 1.00 0.00 H new ATOM 1393 N ASP A 107 19.918 6.945 1.510 1.00 0.00 N ATOM 1394 CA ASP A 107 20.772 8.123 1.472 1.00 0.00 C ATOM 1395 C ASP A 107 21.619 8.013 0.223 1.00 0.00 C ATOM 1396 O ASP A 107 21.972 6.909 -0.123 1.00 0.00 O ATOM 1397 CB ASP A 107 21.657 8.166 2.725 1.00 0.00 C ATOM 1398 CG ASP A 107 22.623 9.332 2.733 1.00 0.00 C ATOM 1399 OD1 ASP A 107 22.226 10.437 3.157 1.00 0.00 O ATOM 1400 OD2 ASP A 107 23.788 9.151 2.318 1.00 0.00 O ATOM 0 H ASP A 107 20.426 6.063 1.451 1.00 0.00 H new ATOM 0 HA ASP A 107 20.182 9.039 1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 107 21.022 8.223 3.609 1.00 0.00 H new ATOM 0 HB3 ASP A 107 22.220 7.235 2.796 1.00 0.00 H new ATOM 1405 N PRO A 108 21.948 9.126 -0.464 1.00 0.00 N ATOM 1406 CA PRO A 108 22.655 9.124 -1.755 1.00 0.00 C ATOM 1407 C PRO A 108 23.601 7.939 -1.978 1.00 0.00 C ATOM 1408 O PRO A 108 23.506 7.252 -2.998 1.00 0.00 O ATOM 1409 CB PRO A 108 23.440 10.420 -1.664 1.00 0.00 C ATOM 1410 CG PRO A 108 22.520 11.354 -0.951 1.00 0.00 C ATOM 1411 CD PRO A 108 21.639 10.507 -0.057 1.00 0.00 C ATOM 0 HA PRO A 108 21.963 9.037 -2.593 1.00 0.00 H new ATOM 0 HB2 PRO A 108 24.372 10.284 -1.116 1.00 0.00 H new ATOM 0 HB3 PRO A 108 23.703 10.797 -2.652 1.00 0.00 H new ATOM 0 HG2 PRO A 108 23.084 12.078 -0.363 1.00 0.00 H new ATOM 0 HG3 PRO A 108 21.918 11.920 -1.662 1.00 0.00 H new ATOM 0 HD2 PRO A 108 21.862 10.673 0.997 1.00 0.00 H new ATOM 0 HD3 PRO A 108 20.584 10.739 -0.200 1.00 0.00 H new ATOM 1419 N LYS A 109 24.488 7.692 -1.020 1.00 0.00 N ATOM 1420 CA LYS A 109 25.431 6.575 -1.100 1.00 0.00 C ATOM 1421 C LYS A 109 24.711 5.233 -1.206 1.00 0.00 C ATOM 1422 O LYS A 109 25.053 4.388 -2.026 1.00 0.00 O ATOM 1423 CB LYS A 109 26.333 6.568 0.132 1.00 0.00 C ATOM 1424 CG LYS A 109 25.580 6.592 1.459 1.00 0.00 C ATOM 1425 CD LYS A 109 26.548 6.658 2.634 1.00 0.00 C ATOM 1426 CE LYS A 109 25.833 6.719 3.975 1.00 0.00 C ATOM 1427 NZ LYS A 109 25.233 5.412 4.351 1.00 0.00 N ATOM 0 H LYS A 109 24.576 8.253 -0.173 1.00 0.00 H new ATOM 0 HA LYS A 109 26.028 6.712 -2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 109 26.964 5.680 0.101 1.00 0.00 H new ATOM 0 HB3 LYS A 109 26.996 7.432 0.088 1.00 0.00 H new ATOM 0 HG2 LYS A 109 24.910 7.452 1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 109 24.958 5.701 1.545 1.00 0.00 H new ATOM 0 HD2 LYS A 109 27.200 5.785 2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 109 27.186 7.535 2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 109 26.538 7.029 4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 109 25.051 7.477 3.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 25.279 5.293 5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 24.240 5.384 4.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 25.760 4.643 3.890 1.00 0.00 H new ATOM 1441 N GLN A 110 23.709 5.068 -0.371 1.00 0.00 N ATOM 1442 CA GLN A 110 22.936 3.850 -0.282 1.00 0.00 C ATOM 1443 C GLN A 110 21.807 3.849 -1.304 1.00 0.00 C ATOM 1444 O GLN A 110 21.253 2.807 -1.639 1.00 0.00 O ATOM 1445 CB GLN A 110 22.367 3.741 1.120 1.00 0.00 C ATOM 1446 CG GLN A 110 23.393 3.412 2.178 1.00 0.00 C ATOM 1447 CD GLN A 110 24.106 2.092 1.944 1.00 0.00 C ATOM 1448 OE1 GLN A 110 25.274 1.946 2.295 1.00 0.00 O ATOM 1449 NE2 GLN A 110 23.406 1.119 1.379 1.00 0.00 N ATOM 0 H GLN A 110 23.403 5.792 0.279 1.00 0.00 H new ATOM 0 HA GLN A 110 23.580 2.997 -0.494 1.00 0.00 H new ATOM 0 HB2 GLN A 110 21.883 4.683 1.379 1.00 0.00 H new ATOM 0 HB3 GLN A 110 21.594 2.973 1.128 1.00 0.00 H new ATOM 0 HG2 GLN A 110 24.132 4.212 2.217 1.00 0.00 H new ATOM 0 HG3 GLN A 110 22.903 3.383 3.151 1.00 0.00 H new ATOM 0 HE21 GLN A 110 22.438 1.282 1.102 1.00 0.00 H new ATOM 0 HE22 GLN A 110 23.835 0.207 1.221 1.00 0.00 H new ATOM 1458 N LEU A 111 21.497 5.030 -1.804 1.00 0.00 N ATOM 1459 CA LEU A 111 20.391 5.234 -2.717 1.00 0.00 C ATOM 1460 C LEU A 111 20.750 4.672 -4.081 1.00 0.00 C ATOM 1461 O LEU A 111 19.946 3.991 -4.716 1.00 0.00 O ATOM 1462 CB LEU A 111 20.073 6.739 -2.771 1.00 0.00 C ATOM 1463 CG LEU A 111 18.914 7.191 -3.677 1.00 0.00 C ATOM 1464 CD1 LEU A 111 19.332 7.221 -5.139 1.00 0.00 C ATOM 1465 CD2 LEU A 111 17.700 6.295 -3.483 1.00 0.00 C ATOM 0 H LEU A 111 22.012 5.883 -1.585 1.00 0.00 H new ATOM 0 HA LEU A 111 19.499 4.709 -2.376 1.00 0.00 H new ATOM 0 HB2 LEU A 111 19.856 7.073 -1.756 1.00 0.00 H new ATOM 0 HB3 LEU A 111 20.974 7.261 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 111 18.643 8.207 -3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 111 18.490 7.544 -5.752 1.00 0.00 H new ATOM 0 HD12 LEU A 111 20.162 7.917 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 111 19.644 6.224 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 111 16.892 6.632 -4.132 1.00 0.00 H new ATOM 0 HD22 LEU A 111 17.963 5.267 -3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 111 17.374 6.343 -2.444 1.00 0.00 H new ATOM 1477 N GLU A 112 21.971 4.947 -4.515 1.00 0.00 N ATOM 1478 CA GLU A 112 22.471 4.410 -5.770 1.00 0.00 C ATOM 1479 C GLU A 112 22.680 2.903 -5.650 1.00 0.00 C ATOM 1480 O GLU A 112 22.454 2.157 -6.598 1.00 0.00 O ATOM 1481 CB GLU A 112 23.778 5.092 -6.146 1.00 0.00 C ATOM 1482 CG GLU A 112 24.801 5.040 -5.033 1.00 0.00 C ATOM 1483 CD GLU A 112 26.181 5.457 -5.483 1.00 0.00 C ATOM 1484 OE1 GLU A 112 26.880 4.636 -6.111 1.00 0.00 O ATOM 1485 OE2 GLU A 112 26.577 6.608 -5.208 1.00 0.00 O ATOM 0 H GLU A 112 22.634 5.540 -4.015 1.00 0.00 H new ATOM 0 HA GLU A 112 21.737 4.601 -6.552 1.00 0.00 H new ATOM 0 HB2 GLU A 112 24.190 4.615 -7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 112 23.580 6.132 -6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 112 24.478 5.689 -4.219 1.00 0.00 H new ATOM 0 HG3 GLU A 112 24.845 4.027 -4.634 1.00 0.00 H new ATOM 1492 N VAL A 113 23.103 2.464 -4.469 1.00 0.00 N ATOM 1493 CA VAL A 113 23.268 1.043 -4.189 1.00 0.00 C ATOM 1494 C VAL A 113 21.917 0.342 -4.240 1.00 0.00 C ATOM 1495 O VAL A 113 21.787 -0.754 -4.785 1.00 0.00 O ATOM 1496 CB VAL A 113 23.923 0.820 -2.806 1.00 0.00 C ATOM 1497 CG1 VAL A 113 23.978 -0.656 -2.449 1.00 0.00 C ATOM 1498 CG2 VAL A 113 25.319 1.417 -2.780 1.00 0.00 C ATOM 0 H VAL A 113 23.339 3.076 -3.687 1.00 0.00 H new ATOM 0 HA VAL A 113 23.925 0.621 -4.950 1.00 0.00 H new ATOM 0 HB VAL A 113 23.306 1.323 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 113 24.444 -0.777 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 113 22.967 -1.062 -2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 113 24.563 -1.190 -3.198 1.00 0.00 H new ATOM 0 HG21 VAL A 113 25.767 1.252 -1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 113 25.933 0.941 -3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 113 25.261 2.488 -2.977 1.00 0.00 H new ATOM 1508 N LEU A 114 20.909 1.002 -3.687 1.00 0.00 N ATOM 1509 CA LEU A 114 19.548 0.488 -3.700 1.00 0.00 C ATOM 1510 C LEU A 114 18.975 0.582 -5.103 1.00 0.00 C ATOM 1511 O LEU A 114 18.053 -0.141 -5.466 1.00 0.00 O ATOM 1512 CB LEU A 114 18.681 1.293 -2.732 1.00 0.00 C ATOM 1513 CG LEU A 114 17.280 0.731 -2.477 1.00 0.00 C ATOM 1514 CD1 LEU A 114 17.361 -0.642 -1.827 1.00 0.00 C ATOM 1515 CD2 LEU A 114 16.475 1.685 -1.609 1.00 0.00 C ATOM 0 H LEU A 114 21.011 1.903 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 114 19.558 -0.556 -3.388 1.00 0.00 H new ATOM 0 HB2 LEU A 114 19.203 1.365 -1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 114 18.582 2.307 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 114 16.774 0.625 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.354 -1.023 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 114 17.900 -1.325 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 114 17.887 -0.564 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 114 15.482 1.270 -1.437 1.00 0.00 H new ATOM 0 HD22 LEU A 114 16.981 1.822 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 114 16.384 2.647 -2.113 1.00 0.00 H new ATOM 1527 N PHE A 115 19.532 1.493 -5.882 1.00 0.00 N ATOM 1528 CA PHE A 115 19.111 1.684 -7.262 1.00 0.00 C ATOM 1529 C PHE A 115 19.668 0.572 -8.135 1.00 0.00 C ATOM 1530 O PHE A 115 18.944 -0.069 -8.895 1.00 0.00 O ATOM 1531 CB PHE A 115 19.606 3.035 -7.771 1.00 0.00 C ATOM 1532 CG PHE A 115 19.168 3.364 -9.171 1.00 0.00 C ATOM 1533 CD1 PHE A 115 17.870 3.774 -9.427 1.00 0.00 C ATOM 1534 CD2 PHE A 115 20.058 3.270 -10.230 1.00 0.00 C ATOM 1535 CE1 PHE A 115 17.467 4.082 -10.713 1.00 0.00 C ATOM 1536 CE2 PHE A 115 19.661 3.576 -11.517 1.00 0.00 C ATOM 1537 CZ PHE A 115 18.364 3.982 -11.759 1.00 0.00 C ATOM 0 H PHE A 115 20.281 2.116 -5.581 1.00 0.00 H new ATOM 0 HA PHE A 115 18.022 1.659 -7.307 1.00 0.00 H new ATOM 0 HB2 PHE A 115 19.252 3.816 -7.098 1.00 0.00 H new ATOM 0 HB3 PHE A 115 20.695 3.049 -7.730 1.00 0.00 H new ATOM 0 HD1 PHE A 115 17.165 3.854 -8.613 1.00 0.00 H new ATOM 0 HD2 PHE A 115 21.074 2.954 -10.046 1.00 0.00 H new ATOM 0 HE1 PHE A 115 16.452 4.400 -10.900 1.00 0.00 H new ATOM 0 HE2 PHE A 115 20.364 3.498 -12.333 1.00 0.00 H new ATOM 0 HZ PHE A 115 18.051 4.221 -12.765 1.00 0.00 H new ATOM 1547 N GLN A 116 20.963 0.341 -8.000 1.00 0.00 N ATOM 1548 CA GLN A 116 21.667 -0.639 -8.810 1.00 0.00 C ATOM 1549 C GLN A 116 21.552 -2.033 -8.211 1.00 0.00 C ATOM 1550 O GLN A 116 22.517 -2.799 -8.176 1.00 0.00 O ATOM 1551 CB GLN A 116 23.128 -0.248 -8.938 1.00 0.00 C ATOM 1552 CG GLN A 116 23.338 1.121 -9.563 1.00 0.00 C ATOM 1553 CD GLN A 116 24.789 1.552 -9.549 1.00 0.00 C ATOM 1554 OE1 GLN A 116 25.252 2.183 -8.599 1.00 0.00 O ATOM 1555 NE2 GLN A 116 25.513 1.225 -10.603 1.00 0.00 N ATOM 0 H GLN A 116 21.555 0.827 -7.327 1.00 0.00 H new ATOM 0 HA GLN A 116 21.208 -0.657 -9.798 1.00 0.00 H new ATOM 0 HB2 GLN A 116 23.587 -0.261 -7.950 1.00 0.00 H new ATOM 0 HB3 GLN A 116 23.644 -0.996 -9.539 1.00 0.00 H new ATOM 0 HG2 GLN A 116 22.977 1.106 -10.592 1.00 0.00 H new ATOM 0 HG3 GLN A 116 22.739 1.857 -9.026 1.00 0.00 H new ATOM 0 HE21 GLN A 116 25.090 0.701 -11.369 1.00 0.00 H new ATOM 0 HE22 GLN A 116 26.495 1.496 -10.651 1.00 0.00 H new ATOM 1564 N GLY A 117 20.363 -2.352 -7.758 1.00 0.00 N ATOM 1565 CA GLY A 117 20.092 -3.659 -7.204 1.00 0.00 C ATOM 1566 C GLY A 117 18.973 -4.297 -7.976 1.00 0.00 C ATOM 1567 O GLY A 117 19.136 -5.377 -8.541 1.00 0.00 O ATOM 0 H GLY A 117 19.562 -1.720 -7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 117 20.986 -4.281 -7.254 1.00 0.00 H new ATOM 0 HA3 GLY A 117 19.822 -3.573 -6.152 1.00 0.00 H new ATOM 1571 N PRO A 118 17.797 -3.653 -7.948 1.00 0.00 N ATOM 1572 CA PRO A 118 16.745 -3.828 -8.938 1.00 0.00 C ATOM 1573 C PRO A 118 17.290 -3.978 -10.361 1.00 0.00 C ATOM 1574 O PRO A 118 17.405 -2.997 -11.096 1.00 0.00 O ATOM 1575 CB PRO A 118 15.997 -2.506 -8.820 1.00 0.00 C ATOM 1576 CG PRO A 118 16.089 -2.138 -7.383 1.00 0.00 C ATOM 1577 CD PRO A 118 17.359 -2.758 -6.864 1.00 0.00 C ATOM 0 HA PRO A 118 16.152 -4.726 -8.765 1.00 0.00 H new ATOM 0 HB2 PRO A 118 16.446 -1.741 -9.453 1.00 0.00 H new ATOM 0 HB3 PRO A 118 14.959 -2.611 -9.135 1.00 0.00 H new ATOM 0 HG2 PRO A 118 16.107 -1.055 -7.260 1.00 0.00 H new ATOM 0 HG3 PRO A 118 15.224 -2.507 -6.832 1.00 0.00 H new ATOM 0 HD2 PRO A 118 18.111 -2.000 -6.646 1.00 0.00 H new ATOM 0 HD3 PRO A 118 17.184 -3.309 -5.940 1.00 0.00 H new ATOM 1585 N GLN A 119 17.633 -5.195 -10.741 1.00 0.00 N ATOM 1586 CA GLN A 119 18.193 -5.448 -12.058 1.00 0.00 C ATOM 1587 C GLN A 119 17.849 -6.868 -12.490 1.00 0.00 C ATOM 1588 O GLN A 119 18.498 -7.460 -13.355 1.00 0.00 O ATOM 1589 CB GLN A 119 19.710 -5.234 -12.018 1.00 0.00 C ATOM 1590 CG GLN A 119 20.353 -5.047 -13.381 1.00 0.00 C ATOM 1591 CD GLN A 119 21.834 -4.743 -13.278 1.00 0.00 C ATOM 1592 OE1 GLN A 119 22.237 -3.582 -13.195 1.00 0.00 O ATOM 1593 NE2 GLN A 119 22.652 -5.782 -13.272 1.00 0.00 N ATOM 0 H GLN A 119 17.534 -6.025 -10.157 1.00 0.00 H new ATOM 0 HA GLN A 119 17.769 -4.755 -12.785 1.00 0.00 H new ATOM 0 HB2 GLN A 119 19.925 -4.359 -11.405 1.00 0.00 H new ATOM 0 HB3 GLN A 119 20.173 -6.089 -11.526 1.00 0.00 H new ATOM 0 HG2 GLN A 119 20.209 -5.949 -13.975 1.00 0.00 H new ATOM 0 HG3 GLN A 119 19.853 -4.235 -13.909 1.00 0.00 H new ATOM 0 HE21 GLN A 119 22.276 -6.728 -13.343 1.00 0.00 H new ATOM 0 HE22 GLN A 119 23.659 -5.638 -13.196 1.00 0.00 H new ATOM 1602 N PHE A 120 16.805 -7.404 -11.881 1.00 0.00 N ATOM 1603 CA PHE A 120 16.371 -8.761 -12.150 1.00 0.00 C ATOM 1604 C PHE A 120 14.901 -8.772 -12.545 1.00 0.00 C ATOM 1605 O PHE A 120 14.048 -8.261 -11.820 1.00 0.00 O ATOM 1606 CB PHE A 120 16.623 -9.663 -10.930 1.00 0.00 C ATOM 1607 CG PHE A 120 16.108 -9.114 -9.624 1.00 0.00 C ATOM 1608 CD1 PHE A 120 16.868 -8.221 -8.883 1.00 0.00 C ATOM 1609 CD2 PHE A 120 14.869 -9.498 -9.133 1.00 0.00 C ATOM 1610 CE1 PHE A 120 16.403 -7.722 -7.682 1.00 0.00 C ATOM 1611 CE2 PHE A 120 14.399 -9.001 -7.932 1.00 0.00 C ATOM 1612 CZ PHE A 120 15.166 -8.112 -7.206 1.00 0.00 C ATOM 0 H PHE A 120 16.238 -6.912 -11.190 1.00 0.00 H new ATOM 0 HA PHE A 120 16.953 -9.157 -12.982 1.00 0.00 H new ATOM 0 HB2 PHE A 120 16.158 -10.632 -11.110 1.00 0.00 H new ATOM 0 HB3 PHE A 120 17.695 -9.836 -10.838 1.00 0.00 H new ATOM 0 HD1 PHE A 120 17.836 -7.912 -9.250 1.00 0.00 H new ATOM 0 HD2 PHE A 120 14.264 -10.194 -9.696 1.00 0.00 H new ATOM 0 HE1 PHE A 120 17.006 -7.028 -7.116 1.00 0.00 H new ATOM 0 HE2 PHE A 120 13.432 -9.308 -7.562 1.00 0.00 H new ATOM 0 HZ PHE A 120 14.800 -7.722 -6.268 1.00 0.00 H new ATOM 1622 N THR A 121 14.613 -9.329 -13.707 1.00 0.00 N ATOM 1623 CA THR A 121 13.251 -9.382 -14.207 1.00 0.00 C ATOM 1624 C THR A 121 12.607 -10.733 -13.923 1.00 0.00 C ATOM 1625 O THR A 121 11.379 -10.850 -13.888 1.00 0.00 O ATOM 1626 CB THR A 121 13.208 -9.084 -15.713 1.00 0.00 C ATOM 1627 OG1 THR A 121 14.443 -9.488 -16.321 1.00 0.00 O ATOM 1628 CG2 THR A 121 12.967 -7.603 -15.964 1.00 0.00 C ATOM 0 H THR A 121 15.306 -9.752 -14.324 1.00 0.00 H new ATOM 0 HA THR A 121 12.682 -8.615 -13.682 1.00 0.00 H new ATOM 0 HB THR A 121 12.385 -9.645 -16.155 1.00 0.00 H new ATOM 0 HG1 THR A 121 14.412 -9.298 -17.282 1.00 0.00 H new ATOM 0 HG21 THR A 121 12.940 -7.415 -17.037 1.00 0.00 H new ATOM 0 HG22 THR A 121 12.016 -7.309 -15.521 1.00 0.00 H new ATOM 0 HG23 THR A 121 13.772 -7.022 -15.514 1.00 0.00 H new ATOM 1636 N LEU A 122 13.435 -11.745 -13.690 1.00 0.00 N ATOM 1637 CA LEU A 122 12.940 -13.078 -13.373 1.00 0.00 C ATOM 1638 C LEU A 122 12.546 -13.168 -11.905 1.00 0.00 C ATOM 1639 O LEU A 122 13.268 -13.739 -11.084 1.00 0.00 O ATOM 1640 CB LEU A 122 13.990 -14.141 -13.706 1.00 0.00 C ATOM 1641 CG LEU A 122 14.353 -14.257 -15.188 1.00 0.00 C ATOM 1642 CD1 LEU A 122 15.380 -15.358 -15.398 1.00 0.00 C ATOM 1643 CD2 LEU A 122 13.110 -14.520 -16.026 1.00 0.00 C ATOM 0 H LEU A 122 14.452 -11.667 -13.715 1.00 0.00 H new ATOM 0 HA LEU A 122 12.056 -13.264 -13.983 1.00 0.00 H new ATOM 0 HB2 LEU A 122 14.897 -13.922 -13.142 1.00 0.00 H new ATOM 0 HB3 LEU A 122 13.626 -15.109 -13.361 1.00 0.00 H new ATOM 0 HG LEU A 122 14.789 -13.311 -15.510 1.00 0.00 H new ATOM 0 HD11 LEU A 122 15.627 -15.428 -16.457 1.00 0.00 H new ATOM 0 HD12 LEU A 122 16.281 -15.128 -14.829 1.00 0.00 H new ATOM 0 HD13 LEU A 122 14.969 -16.309 -15.058 1.00 0.00 H new ATOM 0 HD21 LEU A 122 13.390 -14.599 -17.077 1.00 0.00 H new ATOM 0 HD22 LEU A 122 12.644 -15.451 -15.703 1.00 0.00 H new ATOM 0 HD23 LEU A 122 12.405 -13.698 -15.899 1.00 0.00 H new ATOM 1655 N ARG A 123 11.396 -12.587 -11.591 1.00 0.00 N ATOM 1656 CA ARG A 123 10.858 -12.586 -10.239 1.00 0.00 C ATOM 1657 C ARG A 123 9.365 -12.297 -10.302 1.00 0.00 C ATOM 1658 O ARG A 123 8.863 -11.876 -11.344 1.00 0.00 O ATOM 1659 CB ARG A 123 11.565 -11.534 -9.364 1.00 0.00 C ATOM 1660 CG ARG A 123 11.052 -10.101 -9.524 1.00 0.00 C ATOM 1661 CD ARG A 123 11.284 -9.551 -10.921 1.00 0.00 C ATOM 1662 NE ARG A 123 10.861 -8.156 -11.037 1.00 0.00 N ATOM 1663 CZ ARG A 123 10.305 -7.626 -12.126 1.00 0.00 C ATOM 1664 NH1 ARG A 123 10.072 -8.373 -13.201 1.00 0.00 N ATOM 1665 NH2 ARG A 123 9.980 -6.341 -12.137 1.00 0.00 N ATOM 0 H ARG A 123 10.809 -12.102 -12.269 1.00 0.00 H new ATOM 0 HA ARG A 123 11.029 -13.564 -9.788 1.00 0.00 H new ATOM 0 HB2 ARG A 123 11.461 -11.825 -8.319 1.00 0.00 H new ATOM 0 HB3 ARG A 123 12.630 -11.549 -9.595 1.00 0.00 H new ATOM 0 HG2 ARG A 123 9.986 -10.073 -9.299 1.00 0.00 H new ATOM 0 HG3 ARG A 123 11.548 -9.458 -8.797 1.00 0.00 H new ATOM 0 HD2 ARG A 123 12.342 -9.631 -11.171 1.00 0.00 H new ATOM 0 HD3 ARG A 123 10.738 -10.157 -11.645 1.00 0.00 H new ATOM 0 HE ARG A 123 11.001 -7.548 -10.230 1.00 0.00 H new ATOM 0 HH11 ARG A 123 10.319 -9.363 -13.198 1.00 0.00 H new ATOM 0 HH12 ARG A 123 9.646 -7.956 -14.029 1.00 0.00 H new ATOM 0 HH21 ARG A 123 10.156 -5.763 -11.315 1.00 0.00 H new ATOM 0 HH22 ARG A 123 9.554 -5.930 -12.968 1.00 0.00 H new ATOM 1679 N HIS A 124 8.657 -12.519 -9.205 1.00 0.00 N ATOM 1680 CA HIS A 124 7.232 -12.220 -9.166 1.00 0.00 C ATOM 1681 C HIS A 124 7.010 -10.744 -8.881 1.00 0.00 C ATOM 1682 O HIS A 124 7.275 -10.265 -7.776 1.00 0.00 O ATOM 1683 CB HIS A 124 6.506 -13.071 -8.121 1.00 0.00 C ATOM 1684 CG HIS A 124 6.468 -14.529 -8.457 1.00 0.00 C ATOM 1685 ND1 HIS A 124 7.024 -15.501 -7.657 1.00 0.00 N ATOM 1686 CD2 HIS A 124 5.931 -15.179 -9.516 1.00 0.00 C ATOM 1687 CE1 HIS A 124 6.835 -16.685 -8.209 1.00 0.00 C ATOM 1688 NE2 HIS A 124 6.174 -16.516 -9.337 1.00 0.00 N ATOM 0 H HIS A 124 9.039 -12.900 -8.339 1.00 0.00 H new ATOM 0 HA HIS A 124 6.817 -12.464 -10.144 1.00 0.00 H new ATOM 0 HB2 HIS A 124 6.995 -12.942 -7.156 1.00 0.00 H new ATOM 0 HB3 HIS A 124 5.485 -12.705 -8.012 1.00 0.00 H new ATOM 0 HD2 HIS A 124 5.409 -14.728 -10.347 1.00 0.00 H new ATOM 0 HE1 HIS A 124 7.165 -17.631 -7.805 1.00 0.00 H new ATOM 0 HE2 HIS A 124 5.889 -17.260 -9.974 1.00 0.00 H new ATOM 1697 N TRP A 125 6.550 -10.029 -9.897 1.00 0.00 N ATOM 1698 CA TRP A 125 6.235 -8.616 -9.772 1.00 0.00 C ATOM 1699 C TRP A 125 4.816 -8.463 -9.237 1.00 0.00 C ATOM 1700 O TRP A 125 3.978 -9.347 -9.435 1.00 0.00 O ATOM 1701 CB TRP A 125 6.389 -7.928 -11.132 1.00 0.00 C ATOM 1702 CG TRP A 125 6.169 -6.448 -11.093 1.00 0.00 C ATOM 1703 CD1 TRP A 125 6.997 -5.512 -10.546 1.00 0.00 C ATOM 1704 CD2 TRP A 125 5.053 -5.733 -11.630 1.00 0.00 C ATOM 1705 NE1 TRP A 125 6.461 -4.259 -10.705 1.00 0.00 N ATOM 1706 CE2 TRP A 125 5.268 -4.367 -11.369 1.00 0.00 C ATOM 1707 CE3 TRP A 125 3.892 -6.116 -12.306 1.00 0.00 C ATOM 1708 CZ2 TRP A 125 4.363 -3.384 -11.760 1.00 0.00 C ATOM 1709 CZ3 TRP A 125 2.996 -5.140 -12.695 1.00 0.00 C ATOM 1710 CH2 TRP A 125 3.237 -3.787 -12.422 1.00 0.00 C ATOM 0 H TRP A 125 6.385 -10.412 -10.828 1.00 0.00 H new ATOM 0 HA TRP A 125 6.924 -8.141 -9.073 1.00 0.00 H new ATOM 0 HB2 TRP A 125 7.389 -8.126 -11.517 1.00 0.00 H new ATOM 0 HB3 TRP A 125 5.683 -8.372 -11.834 1.00 0.00 H new ATOM 0 HD1 TRP A 125 7.937 -5.726 -10.059 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.883 -3.388 -10.381 1.00 0.00 H new ATOM 0 HE3 TRP A 125 3.699 -7.157 -12.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 4.544 -2.341 -11.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 2.095 -5.424 -13.218 1.00 0.00 H new ATOM 0 HH2 TRP A 125 2.518 -3.047 -12.741 1.00 0.00 H new ATOM 1721 N LEU A 126 4.545 -7.359 -8.562 1.00 0.00 N ATOM 1722 CA LEU A 126 3.278 -7.179 -7.885 1.00 0.00 C ATOM 1723 C LEU A 126 2.801 -5.723 -7.971 1.00 0.00 C ATOM 1724 O LEU A 126 3.555 -4.839 -8.371 1.00 0.00 O ATOM 1725 CB LEU A 126 3.442 -7.614 -6.426 1.00 0.00 C ATOM 1726 CG LEU A 126 2.221 -7.392 -5.552 1.00 0.00 C ATOM 1727 CD1 LEU A 126 1.076 -8.258 -6.050 1.00 0.00 C ATOM 1728 CD2 LEU A 126 2.530 -7.689 -4.102 1.00 0.00 C ATOM 0 H LEU A 126 5.189 -6.574 -8.470 1.00 0.00 H new ATOM 0 HA LEU A 126 2.518 -7.791 -8.371 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.698 -8.673 -6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.284 -7.073 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 126 1.928 -6.344 -5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 126 0.199 -8.098 -5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.839 -7.990 -7.080 1.00 0.00 H new ATOM 0 HD13 LEU A 126 1.368 -9.307 -6.006 1.00 0.00 H new ATOM 0 HD21 LEU A 126 1.638 -7.522 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.846 -8.727 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.329 -7.032 -3.758 1.00 0.00 H new ATOM 1740 N LYS A 127 1.539 -5.485 -7.604 1.00 0.00 N ATOM 1741 CA LYS A 127 0.966 -4.151 -7.585 1.00 0.00 C ATOM 1742 C LYS A 127 -0.389 -4.156 -6.882 1.00 0.00 C ATOM 1743 O LYS A 127 -1.086 -5.173 -6.871 1.00 0.00 O ATOM 1744 CB LYS A 127 0.806 -3.610 -9.011 1.00 0.00 C ATOM 1745 CG LYS A 127 -0.009 -4.515 -9.929 1.00 0.00 C ATOM 1746 CD LYS A 127 -0.164 -3.917 -11.321 1.00 0.00 C ATOM 1747 CE LYS A 127 -1.039 -2.671 -11.316 1.00 0.00 C ATOM 1748 NZ LYS A 127 -2.452 -2.979 -10.969 1.00 0.00 N ATOM 0 H LYS A 127 0.891 -6.217 -7.313 1.00 0.00 H new ATOM 0 HA LYS A 127 1.647 -3.502 -7.035 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.329 -2.631 -8.966 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.795 -3.463 -9.446 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.476 -5.488 -10.004 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -0.994 -4.682 -9.493 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.819 -3.667 -11.719 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.598 -4.661 -11.988 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -0.640 -1.951 -10.601 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -1.002 -2.199 -12.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -3.051 -2.157 -11.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -2.774 -3.800 -11.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -2.521 -3.196 -9.954 1.00 0.00 H new ATOM 1762 N VAL A 128 -0.742 -3.023 -6.290 1.00 0.00 N ATOM 1763 CA VAL A 128 -2.058 -2.813 -5.718 1.00 0.00 C ATOM 1764 C VAL A 128 -2.278 -1.308 -5.506 1.00 0.00 C ATOM 1765 O VAL A 128 -2.656 -0.626 -6.468 1.00 0.00 O ATOM 1766 CB VAL A 128 -2.305 -3.629 -4.419 1.00 0.00 C ATOM 1767 CG1 VAL A 128 -1.378 -3.236 -3.293 1.00 0.00 C ATOM 1768 CG2 VAL A 128 -3.755 -3.510 -4.006 1.00 0.00 C ATOM 1769 OXT VAL A 128 -2.036 -0.802 -4.415 1.00 0.00 O ATOM 0 H VAL A 128 -0.118 -2.222 -6.194 1.00 0.00 H new ATOM 0 HA VAL A 128 -2.796 -3.191 -6.425 1.00 0.00 H new ATOM 0 HB VAL A 128 -2.080 -4.673 -4.639 1.00 0.00 H new ATOM 0 HG11 VAL A 128 -1.598 -3.840 -2.413 1.00 0.00 H new ATOM 0 HG12 VAL A 128 -0.345 -3.402 -3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 128 -1.521 -2.182 -3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 128 -3.922 -4.084 -3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 128 -3.997 -2.463 -3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 128 -4.393 -3.897 -4.801 1.00 0.00 H new TER 1779 VAL A 128