USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 907 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 86 ASN : amide:sc= -3.25! C(o=-1.6!,f=-7.7!) USER MOD Set 1.2: A 108 GLN : amide:sc= -1.3 K(o=-1.6,f=-2.4!) USER MOD Set 1.3: A 119 ASN : amide:sc= 1.75 K(o=-1.6,f=-7.7!) USER MOD Set 1.4: A 122 SER OG : rot -6:sc= 1.22 USER MOD Set 2.1: A 18 ASN : amide:sc= -3.17! K(o=-8.4!,f=-1.9) USER MOD Set 2.2: A 43 ASN : amide:sc= -5.18! C(o=-8.4!,f=-1.9!) USER MOD Set 3.1: A 26 THR OG1 : rot 46:sc= 0.682 USER MOD Set 3.2: A 34 GLN : amide:sc= -8.93! C(o=-8.7!,f=-3.1!) USER MOD Set 3.3: A 36 SER OG : rot 136:sc= -0.468! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot -16:sc= -0.632 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 43:sc= 0.0564 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -2.07! K(o=-2.1!,f=-3.3) USER MOD Single : A 45 SER OG : rot 72:sc= 0.0995 USER MOD Single : A 48 THR OG1 : rot -4:sc= -0.982 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 164:sc= 0 (180deg=-0.338) USER MOD Single : A 59 HIS : no HD1:sc= -4.5 K(o=-4.5,f=-9.7!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-3.9!) USER MOD Single : A 66 HIS : no HD1:sc= -0.667 K(o=-0.67,f=-0.11) USER MOD Single : A 67 GLN : amide:sc= -1.51 K(o=-1.5,f=-2.8!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -9.5! C(o=-9.5!,f=-6.4!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 48:sc= 0.114 USER MOD Single : A 78 GLN : amide:sc= -2.23 K(o=-2.2,f=-1.3) USER MOD Single : A 80 ASN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= -0.044 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 17:sc= -2.35 USER MOD Single : A 88 SER OG : rot 180:sc= -0.253 USER MOD Single : A 92 MET CE :methyl 159:sc= -6.49! (180deg=-6.92!) USER MOD Single : A 95 ASN : amide:sc= -10.3! C(o=-10!,f=-20!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -142:sc= -0.227 (180deg=-0.426) USER MOD Single : A 100 SER OG : rot -162:sc= 0.974 USER MOD Single : A 103 SER OG : rot 75:sc=-0.00973 USER MOD Single : A 106 SER OG : rot 90:sc= -0.947 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot -117:sc= -0.112 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 THR OG1 : rot 48:sc= 0.816 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 35:sc= 0.498 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.657 3.171 -0.304 1.00 0.00 N ATOM 2 CA GLY A 1 -30.976 2.796 -0.786 1.00 0.00 C ATOM 3 C GLY A 1 -31.022 2.803 -2.315 1.00 0.00 C ATOM 4 O GLY A 1 -30.758 3.827 -2.943 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.651 3.159 0.736 1.00 0.00 H new ATOM 0 H2 GLY A 1 -28.952 2.496 -0.662 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.423 4.127 -0.640 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -31.234 1.804 -0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -31.721 3.487 -0.393 1.00 0.00 H new ATOM 8 N SER A 2 -31.361 1.649 -2.870 1.00 0.00 N ATOM 9 CA SER A 2 -31.446 1.509 -4.314 1.00 0.00 C ATOM 10 C SER A 2 -32.910 1.391 -4.743 1.00 0.00 C ATOM 11 O SER A 2 -33.778 1.089 -3.925 1.00 0.00 O ATOM 12 CB SER A 2 -30.652 0.293 -4.797 1.00 0.00 C ATOM 13 OG SER A 2 -29.841 0.601 -5.928 1.00 0.00 O ATOM 0 H SER A 2 -31.580 0.802 -2.346 1.00 0.00 H new ATOM 0 HA SER A 2 -31.011 2.398 -4.770 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.021 -0.073 -3.987 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.341 -0.512 -5.053 1.00 0.00 H new ATOM 0 HG SER A 2 -29.349 -0.200 -6.205 1.00 0.00 H new ATOM 19 N SER A 3 -33.139 1.635 -6.025 1.00 0.00 N ATOM 20 CA SER A 3 -34.483 1.561 -6.573 1.00 0.00 C ATOM 21 C SER A 3 -34.461 0.826 -7.915 1.00 0.00 C ATOM 22 O SER A 3 -33.707 1.194 -8.815 1.00 0.00 O ATOM 23 CB SER A 3 -35.087 2.956 -6.741 1.00 0.00 C ATOM 24 OG SER A 3 -36.422 3.023 -6.245 1.00 0.00 O ATOM 0 H SER A 3 -32.416 1.884 -6.700 1.00 0.00 H new ATOM 0 HA SER A 3 -35.108 1.007 -5.873 1.00 0.00 H new ATOM 0 HB2 SER A 3 -34.468 3.684 -6.217 1.00 0.00 H new ATOM 0 HB3 SER A 3 -35.078 3.230 -7.796 1.00 0.00 H new ATOM 0 HG SER A 3 -36.772 3.930 -6.369 1.00 0.00 H new ATOM 30 N GLY A 4 -35.296 -0.198 -8.006 1.00 0.00 N ATOM 31 CA GLY A 4 -35.382 -0.987 -9.224 1.00 0.00 C ATOM 32 C GLY A 4 -36.532 -1.993 -9.145 1.00 0.00 C ATOM 33 O GLY A 4 -37.038 -2.280 -8.061 1.00 0.00 O ATOM 0 H GLY A 4 -35.919 -0.500 -7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -35.529 -0.327 -10.079 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -34.442 -1.515 -9.387 1.00 0.00 H new ATOM 37 N SER A 5 -36.912 -2.502 -10.308 1.00 0.00 N ATOM 38 CA SER A 5 -37.993 -3.470 -10.384 1.00 0.00 C ATOM 39 C SER A 5 -37.457 -4.814 -10.882 1.00 0.00 C ATOM 40 O SER A 5 -36.747 -4.870 -11.884 1.00 0.00 O ATOM 41 CB SER A 5 -39.113 -2.973 -11.299 1.00 0.00 C ATOM 42 OG SER A 5 -39.902 -1.962 -10.677 1.00 0.00 O ATOM 0 H SER A 5 -36.490 -2.262 -11.205 1.00 0.00 H new ATOM 0 HA SER A 5 -38.408 -3.599 -9.384 1.00 0.00 H new ATOM 0 HB2 SER A 5 -38.682 -2.581 -12.220 1.00 0.00 H new ATOM 0 HB3 SER A 5 -39.752 -3.811 -11.578 1.00 0.00 H new ATOM 0 HG SER A 5 -40.605 -1.670 -11.294 1.00 0.00 H new ATOM 48 N SER A 6 -37.819 -5.863 -10.159 1.00 0.00 N ATOM 49 CA SER A 6 -37.384 -7.203 -10.515 1.00 0.00 C ATOM 50 C SER A 6 -38.215 -8.241 -9.758 1.00 0.00 C ATOM 51 O SER A 6 -37.945 -8.528 -8.593 1.00 0.00 O ATOM 52 CB SER A 6 -35.895 -7.396 -10.217 1.00 0.00 C ATOM 53 OG SER A 6 -35.242 -8.152 -11.233 1.00 0.00 O ATOM 0 H SER A 6 -38.409 -5.812 -9.328 1.00 0.00 H new ATOM 0 HA SER A 6 -37.533 -7.338 -11.586 1.00 0.00 H new ATOM 0 HB2 SER A 6 -35.414 -6.422 -10.124 1.00 0.00 H new ATOM 0 HB3 SER A 6 -35.779 -7.901 -9.258 1.00 0.00 H new ATOM 0 HG SER A 6 -34.294 -8.252 -11.008 1.00 0.00 H new ATOM 59 N GLY A 7 -39.209 -8.776 -10.452 1.00 0.00 N ATOM 60 CA GLY A 7 -40.081 -9.777 -9.860 1.00 0.00 C ATOM 61 C GLY A 7 -39.386 -11.138 -9.790 1.00 0.00 C ATOM 62 O GLY A 7 -38.263 -11.241 -9.299 1.00 0.00 O ATOM 0 H GLY A 7 -39.430 -8.535 -11.418 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -40.374 -9.462 -8.858 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -40.995 -9.861 -10.448 1.00 0.00 H new ATOM 66 N PRO A 8 -40.101 -12.175 -10.302 1.00 0.00 N ATOM 67 CA PRO A 8 -39.565 -13.526 -10.302 1.00 0.00 C ATOM 68 C PRO A 8 -38.491 -13.689 -11.380 1.00 0.00 C ATOM 69 O PRO A 8 -38.730 -13.391 -12.549 1.00 0.00 O ATOM 70 CB PRO A 8 -40.769 -14.427 -10.522 1.00 0.00 C ATOM 71 CG PRO A 8 -41.857 -13.536 -11.098 1.00 0.00 C ATOM 72 CD PRO A 8 -41.434 -12.091 -10.891 1.00 0.00 C ATOM 0 HA PRO A 8 -39.061 -13.779 -9.369 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -40.528 -15.241 -11.206 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -41.092 -14.882 -9.586 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -41.999 -13.744 -12.158 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -42.810 -13.729 -10.605 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -41.416 -11.545 -11.834 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -42.126 -11.567 -10.232 1.00 0.00 H new ATOM 80 N THR A 9 -37.331 -14.162 -10.947 1.00 0.00 N ATOM 81 CA THR A 9 -36.220 -14.369 -11.861 1.00 0.00 C ATOM 82 C THR A 9 -35.044 -15.020 -11.131 1.00 0.00 C ATOM 83 O THR A 9 -34.565 -14.496 -10.126 1.00 0.00 O ATOM 84 CB THR A 9 -35.871 -13.021 -12.494 1.00 0.00 C ATOM 85 OG1 THR A 9 -34.821 -13.327 -13.406 1.00 0.00 O ATOM 86 CG2 THR A 9 -35.229 -12.054 -11.496 1.00 0.00 C ATOM 0 H THR A 9 -37.137 -14.408 -9.976 1.00 0.00 H new ATOM 0 HA THR A 9 -36.489 -15.060 -12.660 1.00 0.00 H new ATOM 0 HB THR A 9 -36.773 -12.570 -12.907 1.00 0.00 H new ATOM 0 HG1 THR A 9 -34.535 -12.508 -13.862 1.00 0.00 H new ATOM 0 HG21 THR A 9 -35.001 -11.113 -11.996 1.00 0.00 H new ATOM 0 HG22 THR A 9 -35.919 -11.869 -10.673 1.00 0.00 H new ATOM 0 HG23 THR A 9 -34.309 -12.490 -11.107 1.00 0.00 H new ATOM 94 N PRO A 10 -34.601 -16.183 -11.678 1.00 0.00 N ATOM 95 CA PRO A 10 -33.489 -16.912 -11.090 1.00 0.00 C ATOM 96 C PRO A 10 -32.159 -16.221 -11.394 1.00 0.00 C ATOM 97 O PRO A 10 -31.550 -16.469 -12.434 1.00 0.00 O ATOM 98 CB PRO A 10 -33.581 -18.311 -11.677 1.00 0.00 C ATOM 99 CG PRO A 10 -34.450 -18.186 -12.918 1.00 0.00 C ATOM 100 CD PRO A 10 -35.144 -16.834 -12.867 1.00 0.00 C ATOM 0 HA PRO A 10 -33.538 -16.948 -10.002 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -32.592 -18.694 -11.929 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -34.020 -19.007 -10.962 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -33.843 -18.270 -13.819 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -35.184 -18.991 -12.953 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -34.941 -16.251 -13.765 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -36.226 -16.947 -12.798 1.00 0.00 H new ATOM 108 N ALA A 11 -31.746 -15.368 -10.468 1.00 0.00 N ATOM 109 CA ALA A 11 -30.498 -14.640 -10.625 1.00 0.00 C ATOM 110 C ALA A 11 -30.109 -14.011 -9.286 1.00 0.00 C ATOM 111 O ALA A 11 -30.960 -13.483 -8.572 1.00 0.00 O ATOM 112 CB ALA A 11 -30.651 -13.598 -11.736 1.00 0.00 C ATOM 0 H ALA A 11 -32.253 -15.165 -9.607 1.00 0.00 H new ATOM 0 HA ALA A 11 -29.694 -15.315 -10.919 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -29.715 -13.052 -11.854 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -30.900 -14.098 -12.672 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -31.447 -12.901 -11.474 1.00 0.00 H new ATOM 118 N PRO A 12 -28.786 -14.089 -8.977 1.00 0.00 N ATOM 119 CA PRO A 12 -28.273 -13.534 -7.736 1.00 0.00 C ATOM 120 C PRO A 12 -28.202 -12.007 -7.807 1.00 0.00 C ATOM 121 O PRO A 12 -28.784 -11.396 -8.701 1.00 0.00 O ATOM 122 CB PRO A 12 -26.913 -14.184 -7.547 1.00 0.00 C ATOM 123 CG PRO A 12 -26.513 -14.720 -8.912 1.00 0.00 C ATOM 124 CD PRO A 12 -27.749 -14.706 -9.798 1.00 0.00 C ATOM 0 HA PRO A 12 -28.920 -13.741 -6.883 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -26.183 -13.462 -7.182 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -26.963 -14.987 -6.812 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -25.724 -14.106 -9.347 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -26.118 -15.732 -8.824 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -27.575 -14.136 -10.711 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -28.031 -15.715 -10.100 1.00 0.00 H new ATOM 132 N VAL A 13 -27.483 -11.435 -6.852 1.00 0.00 N ATOM 133 CA VAL A 13 -27.328 -9.992 -6.794 1.00 0.00 C ATOM 134 C VAL A 13 -25.862 -9.651 -6.517 1.00 0.00 C ATOM 135 O VAL A 13 -25.351 -9.930 -5.433 1.00 0.00 O ATOM 136 CB VAL A 13 -28.285 -9.403 -5.756 1.00 0.00 C ATOM 137 CG1 VAL A 13 -28.053 -10.030 -4.379 1.00 0.00 C ATOM 138 CG2 VAL A 13 -28.158 -7.880 -5.694 1.00 0.00 C ATOM 0 H VAL A 13 -27.001 -11.946 -6.112 1.00 0.00 H new ATOM 0 HA VAL A 13 -27.591 -9.542 -7.751 1.00 0.00 H new ATOM 0 HB VAL A 13 -29.303 -9.641 -6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -28.746 -9.594 -3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -28.219 -11.106 -4.436 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -27.029 -9.837 -4.059 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -28.849 -7.487 -4.948 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -27.138 -7.611 -5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -28.396 -7.455 -6.669 1.00 0.00 H new ATOM 148 N TYR A 14 -25.227 -9.054 -7.515 1.00 0.00 N ATOM 149 CA TYR A 14 -23.831 -8.673 -7.392 1.00 0.00 C ATOM 150 C TYR A 14 -23.697 -7.199 -7.003 1.00 0.00 C ATOM 151 O TYR A 14 -24.669 -6.573 -6.584 1.00 0.00 O ATOM 152 CB TYR A 14 -23.213 -8.881 -8.776 1.00 0.00 C ATOM 153 CG TYR A 14 -23.531 -10.242 -9.401 1.00 0.00 C ATOM 154 CD1 TYR A 14 -24.654 -10.394 -10.188 1.00 0.00 C ATOM 155 CD2 TYR A 14 -22.694 -11.316 -9.177 1.00 0.00 C ATOM 156 CE1 TYR A 14 -24.953 -11.674 -10.776 1.00 0.00 C ATOM 157 CE2 TYR A 14 -22.993 -12.596 -9.765 1.00 0.00 C ATOM 158 CZ TYR A 14 -24.107 -12.712 -10.535 1.00 0.00 C ATOM 159 OH TYR A 14 -24.390 -13.921 -11.091 1.00 0.00 O ATOM 0 H TYR A 14 -25.654 -8.825 -8.412 1.00 0.00 H new ATOM 0 HA TYR A 14 -23.338 -9.265 -6.621 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -23.567 -8.095 -9.443 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -22.131 -8.771 -8.700 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -25.309 -9.553 -10.363 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -21.815 -11.197 -8.561 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -25.829 -11.807 -11.394 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -22.347 -13.445 -9.598 1.00 0.00 H new ATOM 0 HH TYR A 14 -25.322 -13.932 -11.393 1.00 0.00 H new ATOM 169 N ASP A 15 -22.484 -6.688 -7.156 1.00 0.00 N ATOM 170 CA ASP A 15 -22.211 -5.299 -6.827 1.00 0.00 C ATOM 171 C ASP A 15 -20.715 -5.130 -6.555 1.00 0.00 C ATOM 172 O ASP A 15 -20.326 -4.595 -5.518 1.00 0.00 O ATOM 173 CB ASP A 15 -22.971 -4.871 -5.571 1.00 0.00 C ATOM 174 CG ASP A 15 -24.298 -4.154 -5.831 1.00 0.00 C ATOM 175 OD1 ASP A 15 -24.406 -3.535 -6.911 1.00 0.00 O ATOM 176 OD2 ASP A 15 -25.173 -4.241 -4.943 1.00 0.00 O ATOM 0 H ASP A 15 -21.680 -7.210 -7.503 1.00 0.00 H new ATOM 0 HA ASP A 15 -22.530 -4.684 -7.668 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -23.166 -5.755 -4.964 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -22.330 -4.215 -4.983 1.00 0.00 H new ATOM 181 N VAL A 16 -19.916 -5.595 -7.504 1.00 0.00 N ATOM 182 CA VAL A 16 -18.472 -5.502 -7.380 1.00 0.00 C ATOM 183 C VAL A 16 -18.047 -6.032 -6.009 1.00 0.00 C ATOM 184 O VAL A 16 -18.866 -6.134 -5.098 1.00 0.00 O ATOM 185 CB VAL A 16 -18.017 -4.062 -7.631 1.00 0.00 C ATOM 186 CG1 VAL A 16 -18.353 -3.623 -9.058 1.00 0.00 C ATOM 187 CG2 VAL A 16 -18.628 -3.107 -6.604 1.00 0.00 C ATOM 0 H VAL A 16 -20.242 -6.038 -8.363 1.00 0.00 H new ATOM 0 HA VAL A 16 -17.983 -6.120 -8.133 1.00 0.00 H new ATOM 0 HB VAL A 16 -16.934 -4.027 -7.516 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -18.020 -2.597 -9.211 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -17.849 -4.278 -9.768 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -19.430 -3.681 -9.212 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -18.289 -2.091 -6.805 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -19.715 -3.147 -6.672 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -18.316 -3.402 -5.602 1.00 0.00 H new ATOM 197 N PRO A 17 -16.732 -6.364 -5.903 1.00 0.00 N ATOM 198 CA PRO A 17 -16.189 -6.882 -4.659 1.00 0.00 C ATOM 199 C PRO A 17 -16.025 -5.765 -3.626 1.00 0.00 C ATOM 200 O PRO A 17 -15.309 -4.793 -3.865 1.00 0.00 O ATOM 201 CB PRO A 17 -14.870 -7.531 -5.046 1.00 0.00 C ATOM 202 CG PRO A 17 -14.501 -6.951 -6.402 1.00 0.00 C ATOM 203 CD PRO A 17 -15.732 -6.257 -6.962 1.00 0.00 C ATOM 0 HA PRO A 17 -16.849 -7.606 -4.181 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -14.098 -7.317 -4.307 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -14.969 -8.615 -5.099 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -13.676 -6.245 -6.304 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.167 -7.739 -7.077 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -15.523 -5.215 -7.205 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -16.074 -6.736 -7.879 1.00 0.00 H new ATOM 211 N ASN A 18 -16.700 -5.941 -2.500 1.00 0.00 N ATOM 212 CA ASN A 18 -16.639 -4.960 -1.430 1.00 0.00 C ATOM 213 C ASN A 18 -15.186 -4.528 -1.222 1.00 0.00 C ATOM 214 O ASN A 18 -14.264 -5.198 -1.684 1.00 0.00 O ATOM 215 CB ASN A 18 -17.149 -5.549 -0.113 1.00 0.00 C ATOM 216 CG ASN A 18 -18.659 -5.347 0.029 1.00 0.00 C ATOM 217 OD1 ASN A 18 -19.175 -5.052 1.095 1.00 0.00 O ATOM 218 ND2 ASN A 18 -19.337 -5.523 -1.102 1.00 0.00 N ATOM 0 H ASN A 18 -17.292 -6.748 -2.305 1.00 0.00 H new ATOM 0 HA ASN A 18 -17.264 -4.113 -1.713 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -16.915 -6.613 -0.071 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -16.635 -5.077 0.724 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -20.351 -5.412 -1.111 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -18.843 -5.769 -1.960 1.00 0.00 H new ATOM 225 N PRO A 19 -15.023 -3.381 -0.510 1.00 0.00 N ATOM 226 CA PRO A 19 -13.698 -2.852 -0.236 1.00 0.00 C ATOM 227 C PRO A 19 -12.996 -3.668 0.851 1.00 0.00 C ATOM 228 O PRO A 19 -13.636 -4.142 1.788 1.00 0.00 O ATOM 229 CB PRO A 19 -13.928 -1.403 0.164 1.00 0.00 C ATOM 230 CG PRO A 19 -15.395 -1.305 0.549 1.00 0.00 C ATOM 231 CD PRO A 19 -16.093 -2.561 0.052 1.00 0.00 C ATOM 0 HA PRO A 19 -13.034 -2.913 -1.098 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.286 -1.121 0.998 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -13.694 -0.729 -0.660 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -15.500 -1.212 1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.847 -0.417 0.107 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -16.603 -3.078 0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.847 -2.324 -0.699 1.00 0.00 H new ATOM 239 N PRO A 20 -11.653 -3.810 0.685 1.00 0.00 N ATOM 240 CA PRO A 20 -10.857 -4.561 1.641 1.00 0.00 C ATOM 241 C PRO A 20 -10.648 -3.761 2.929 1.00 0.00 C ATOM 242 O PRO A 20 -10.995 -2.583 2.995 1.00 0.00 O ATOM 243 CB PRO A 20 -9.557 -4.868 0.915 1.00 0.00 C ATOM 244 CG PRO A 20 -9.486 -3.887 -0.244 1.00 0.00 C ATOM 245 CD PRO A 20 -10.861 -3.263 -0.412 1.00 0.00 C ATOM 0 HA PRO A 20 -11.344 -5.481 1.964 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.701 -4.750 1.580 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -9.543 -5.897 0.557 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -8.739 -3.118 -0.048 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -9.184 -4.398 -1.158 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.811 -2.175 -0.360 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.295 -3.517 -1.379 1.00 0.00 H new ATOM 253 N PHE A 21 -10.082 -4.434 3.920 1.00 0.00 N ATOM 254 CA PHE A 21 -9.822 -3.801 5.202 1.00 0.00 C ATOM 255 C PHE A 21 -8.623 -4.446 5.899 1.00 0.00 C ATOM 256 O PHE A 21 -8.066 -5.425 5.405 1.00 0.00 O ATOM 257 CB PHE A 21 -11.070 -4.007 6.063 1.00 0.00 C ATOM 258 CG PHE A 21 -11.532 -5.463 6.151 1.00 0.00 C ATOM 259 CD1 PHE A 21 -12.410 -5.954 5.237 1.00 0.00 C ATOM 260 CD2 PHE A 21 -11.064 -6.265 7.144 1.00 0.00 C ATOM 261 CE1 PHE A 21 -12.839 -7.305 5.319 1.00 0.00 C ATOM 262 CE2 PHE A 21 -11.492 -7.617 7.226 1.00 0.00 C ATOM 263 CZ PHE A 21 -12.371 -8.108 6.312 1.00 0.00 C ATOM 0 H PHE A 21 -9.796 -5.411 3.861 1.00 0.00 H new ATOM 0 HA PHE A 21 -9.598 -2.744 5.057 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -10.870 -3.639 7.069 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.882 -3.403 5.658 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -12.781 -5.316 4.448 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -10.367 -5.874 7.870 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -13.537 -7.695 4.593 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -11.119 -8.255 8.014 1.00 0.00 H new ATOM 0 HZ PHE A 21 -12.697 -9.136 6.375 1.00 0.00 H new ATOM 273 N ASP A 22 -8.262 -3.871 7.037 1.00 0.00 N ATOM 274 CA ASP A 22 -7.139 -4.378 7.808 1.00 0.00 C ATOM 275 C ASP A 22 -5.836 -4.064 7.070 1.00 0.00 C ATOM 276 O ASP A 22 -4.788 -4.625 7.386 1.00 0.00 O ATOM 277 CB ASP A 22 -7.230 -5.895 7.981 1.00 0.00 C ATOM 278 CG ASP A 22 -6.907 -6.406 9.386 1.00 0.00 C ATOM 279 OD1 ASP A 22 -5.742 -6.225 9.802 1.00 0.00 O ATOM 280 OD2 ASP A 22 -7.832 -6.967 10.013 1.00 0.00 O ATOM 0 H ASP A 22 -8.727 -3.059 7.444 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.160 -3.901 8.788 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.238 -6.216 7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.549 -6.368 7.273 1.00 0.00 H new ATOM 285 N LEU A 23 -5.944 -3.167 6.100 1.00 0.00 N ATOM 286 CA LEU A 23 -4.787 -2.772 5.315 1.00 0.00 C ATOM 287 C LEU A 23 -3.642 -2.393 6.256 1.00 0.00 C ATOM 288 O LEU A 23 -3.830 -1.608 7.184 1.00 0.00 O ATOM 289 CB LEU A 23 -5.163 -1.665 4.327 1.00 0.00 C ATOM 290 CG LEU A 23 -5.131 -2.048 2.846 1.00 0.00 C ATOM 291 CD1 LEU A 23 -6.354 -2.885 2.470 1.00 0.00 C ATOM 292 CD2 LEU A 23 -4.991 -0.807 1.962 1.00 0.00 C ATOM 0 H LEU A 23 -6.815 -2.703 5.840 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.437 -3.606 4.707 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.166 -1.314 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.486 -0.824 4.479 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.251 -2.668 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.307 -3.144 1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.368 -3.797 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.261 -2.312 2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.971 -1.107 0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.837 -0.141 2.133 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.065 -0.287 2.209 1.00 0.00 H new ATOM 304 N GLU A 24 -2.480 -2.969 5.984 1.00 0.00 N ATOM 305 CA GLU A 24 -1.305 -2.702 6.795 1.00 0.00 C ATOM 306 C GLU A 24 -0.036 -3.098 6.038 1.00 0.00 C ATOM 307 O GLU A 24 -0.065 -3.996 5.197 1.00 0.00 O ATOM 308 CB GLU A 24 -1.390 -3.427 8.140 1.00 0.00 C ATOM 309 CG GLU A 24 -1.392 -2.431 9.301 1.00 0.00 C ATOM 310 CD GLU A 24 -2.368 -2.867 10.395 1.00 0.00 C ATOM 311 OE1 GLU A 24 -3.414 -3.444 10.026 1.00 0.00 O ATOM 312 OE2 GLU A 24 -2.047 -2.613 11.576 1.00 0.00 O ATOM 0 H GLU A 24 -2.328 -3.619 5.213 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.264 -1.632 6.999 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.296 -4.032 8.174 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -0.546 -4.109 8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.388 -2.349 9.716 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.668 -1.442 8.936 1.00 0.00 H new ATOM 319 N LEU A 25 1.049 -2.410 6.362 1.00 0.00 N ATOM 320 CA LEU A 25 2.325 -2.679 5.723 1.00 0.00 C ATOM 321 C LEU A 25 3.185 -3.537 6.653 1.00 0.00 C ATOM 322 O LEU A 25 3.622 -3.073 7.705 1.00 0.00 O ATOM 323 CB LEU A 25 2.997 -1.372 5.297 1.00 0.00 C ATOM 324 CG LEU A 25 2.329 -0.619 4.144 1.00 0.00 C ATOM 325 CD1 LEU A 25 2.036 -1.559 2.973 1.00 0.00 C ATOM 326 CD2 LEU A 25 1.073 0.111 4.621 1.00 0.00 C ATOM 0 H LEU A 25 1.070 -1.666 7.059 1.00 0.00 H new ATOM 0 HA LEU A 25 2.179 -3.249 4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.039 -0.709 6.162 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.026 -1.591 5.013 1.00 0.00 H new ATOM 0 HG LEU A 25 3.024 0.139 3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.561 -0.999 2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.969 -1.993 2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.369 -2.355 3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.618 0.638 3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.363 -0.611 5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.341 0.828 5.397 1.00 0.00 H new ATOM 338 N THR A 26 3.403 -4.774 6.231 1.00 0.00 N ATOM 339 CA THR A 26 4.202 -5.702 7.012 1.00 0.00 C ATOM 340 C THR A 26 5.274 -6.352 6.135 1.00 0.00 C ATOM 341 O THR A 26 4.957 -7.101 5.213 1.00 0.00 O ATOM 342 CB THR A 26 3.255 -6.712 7.662 1.00 0.00 C ATOM 343 OG1 THR A 26 2.375 -7.091 6.608 1.00 0.00 O ATOM 344 CG2 THR A 26 2.335 -6.067 8.701 1.00 0.00 C ATOM 0 H THR A 26 3.040 -5.155 5.357 1.00 0.00 H new ATOM 0 HA THR A 26 4.744 -5.186 7.805 1.00 0.00 H new ATOM 0 HB THR A 26 3.837 -7.504 8.134 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.895 -7.274 5.798 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.683 -6.827 9.132 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.937 -5.616 9.490 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.728 -5.298 8.222 1.00 0.00 H new ATOM 352 N ASP A 27 6.522 -6.042 6.454 1.00 0.00 N ATOM 353 CA ASP A 27 7.643 -6.586 5.707 1.00 0.00 C ATOM 354 C ASP A 27 8.809 -6.848 6.662 1.00 0.00 C ATOM 355 O ASP A 27 8.972 -6.142 7.656 1.00 0.00 O ATOM 356 CB ASP A 27 8.121 -5.603 4.637 1.00 0.00 C ATOM 357 CG ASP A 27 9.100 -4.536 5.130 1.00 0.00 C ATOM 358 OD1 ASP A 27 8.745 -3.851 6.114 1.00 0.00 O ATOM 359 OD2 ASP A 27 10.182 -4.428 4.512 1.00 0.00 O ATOM 0 H ASP A 27 6.782 -5.421 7.220 1.00 0.00 H new ATOM 0 HA ASP A 27 7.313 -7.508 5.229 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.595 -6.166 3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 27 7.251 -5.106 4.207 1.00 0.00 H new ATOM 364 N GLN A 28 9.589 -7.866 6.328 1.00 0.00 N ATOM 365 CA GLN A 28 10.735 -8.230 7.144 1.00 0.00 C ATOM 366 C GLN A 28 11.797 -8.923 6.289 1.00 0.00 C ATOM 367 O GLN A 28 12.338 -9.956 6.681 1.00 0.00 O ATOM 368 CB GLN A 28 10.313 -9.115 8.318 1.00 0.00 C ATOM 369 CG GLN A 28 9.593 -8.297 9.392 1.00 0.00 C ATOM 370 CD GLN A 28 9.921 -8.819 10.792 1.00 0.00 C ATOM 371 OE1 GLN A 28 9.965 -10.012 11.043 1.00 0.00 O ATOM 372 NE2 GLN A 28 10.148 -7.862 11.687 1.00 0.00 N ATOM 0 H GLN A 28 9.450 -8.450 5.503 1.00 0.00 H new ATOM 0 HA GLN A 28 11.167 -7.318 7.556 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.658 -9.910 7.961 1.00 0.00 H new ATOM 0 HB3 GLN A 28 11.191 -9.595 8.750 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.885 -7.250 9.313 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.517 -8.341 9.227 1.00 0.00 H new ATOM 0 HE21 GLN A 28 10.095 -6.882 11.410 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.375 -8.108 12.650 1.00 0.00 H new ATOM 381 N LEU A 29 12.064 -8.327 5.136 1.00 0.00 N ATOM 382 CA LEU A 29 13.052 -8.875 4.221 1.00 0.00 C ATOM 383 C LEU A 29 14.173 -7.854 4.018 1.00 0.00 C ATOM 384 O LEU A 29 15.257 -7.997 4.582 1.00 0.00 O ATOM 385 CB LEU A 29 12.386 -9.324 2.919 1.00 0.00 C ATOM 386 CG LEU A 29 13.047 -10.501 2.199 1.00 0.00 C ATOM 387 CD1 LEU A 29 14.531 -10.225 1.947 1.00 0.00 C ATOM 388 CD2 LEU A 29 12.829 -11.806 2.966 1.00 0.00 C ATOM 0 H LEU A 29 11.614 -7.470 4.814 1.00 0.00 H new ATOM 0 HA LEU A 29 13.508 -9.770 4.644 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.352 -9.591 3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.359 -8.475 2.236 1.00 0.00 H new ATOM 0 HG LEU A 29 12.571 -10.617 1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.978 -11.077 1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 29 14.635 -9.334 1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 29 15.039 -10.068 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 29 13.309 -12.626 2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.262 -11.719 3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.761 -12.004 3.051 1.00 0.00 H new ATOM 400 N ASP A 30 13.874 -6.847 3.211 1.00 0.00 N ATOM 401 CA ASP A 30 14.843 -5.802 2.927 1.00 0.00 C ATOM 402 C ASP A 30 14.555 -5.207 1.547 1.00 0.00 C ATOM 403 O ASP A 30 14.481 -3.988 1.396 1.00 0.00 O ATOM 404 CB ASP A 30 16.267 -6.362 2.912 1.00 0.00 C ATOM 405 CG ASP A 30 17.054 -6.163 4.209 1.00 0.00 C ATOM 406 OD1 ASP A 30 16.480 -5.544 5.131 1.00 0.00 O ATOM 407 OD2 ASP A 30 18.211 -6.634 4.249 1.00 0.00 O ATOM 0 H ASP A 30 12.974 -6.732 2.745 1.00 0.00 H new ATOM 0 HA ASP A 30 14.761 -5.044 3.706 1.00 0.00 H new ATOM 0 HB2 ASP A 30 16.219 -7.429 2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 30 16.817 -5.894 2.096 1.00 0.00 H new ATOM 412 N LYS A 31 14.399 -6.094 0.576 1.00 0.00 N ATOM 413 CA LYS A 31 14.120 -5.671 -0.786 1.00 0.00 C ATOM 414 C LYS A 31 13.146 -4.492 -0.760 1.00 0.00 C ATOM 415 O LYS A 31 13.492 -3.387 -1.177 1.00 0.00 O ATOM 416 CB LYS A 31 13.632 -6.854 -1.625 1.00 0.00 C ATOM 417 CG LYS A 31 14.771 -7.441 -2.461 1.00 0.00 C ATOM 418 CD LYS A 31 15.378 -8.667 -1.777 1.00 0.00 C ATOM 419 CE LYS A 31 16.887 -8.739 -2.019 1.00 0.00 C ATOM 420 NZ LYS A 31 17.175 -9.426 -3.298 1.00 0.00 N ATOM 0 H LYS A 31 14.460 -7.104 0.705 1.00 0.00 H new ATOM 0 HA LYS A 31 15.031 -5.321 -1.270 1.00 0.00 H new ATOM 0 HB2 LYS A 31 13.222 -7.624 -0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.824 -6.530 -2.281 1.00 0.00 H new ATOM 0 HG2 LYS A 31 14.398 -7.718 -3.447 1.00 0.00 H new ATOM 0 HG3 LYS A 31 15.542 -6.686 -2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 31 15.179 -8.626 -0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 31 14.902 -9.572 -2.155 1.00 0.00 H new ATOM 0 HE2 LYS A 31 17.307 -7.733 -2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 31 17.368 -9.270 -1.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 18.204 -9.466 -3.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 16.792 -10.392 -3.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 16.732 -8.903 -4.080 1.00 0.00 H new ATOM 434 N SER A 32 11.948 -4.766 -0.266 1.00 0.00 N ATOM 435 CA SER A 32 10.921 -3.742 -0.181 1.00 0.00 C ATOM 436 C SER A 32 9.879 -4.131 0.870 1.00 0.00 C ATOM 437 O SER A 32 10.080 -5.080 1.626 1.00 0.00 O ATOM 438 CB SER A 32 10.250 -3.520 -1.537 1.00 0.00 C ATOM 439 OG SER A 32 10.741 -2.353 -2.192 1.00 0.00 O ATOM 0 H SER A 32 11.665 -5.683 0.080 1.00 0.00 H new ATOM 0 HA SER A 32 11.395 -2.807 0.116 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.419 -4.390 -2.172 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.173 -3.431 -1.398 1.00 0.00 H new ATOM 0 HG SER A 32 11.716 -2.313 -2.101 1.00 0.00 H new ATOM 445 N VAL A 33 8.789 -3.378 0.884 1.00 0.00 N ATOM 446 CA VAL A 33 7.716 -3.633 1.829 1.00 0.00 C ATOM 447 C VAL A 33 6.554 -4.315 1.103 1.00 0.00 C ATOM 448 O VAL A 33 6.435 -4.215 -0.117 1.00 0.00 O ATOM 449 CB VAL A 33 7.307 -2.331 2.520 1.00 0.00 C ATOM 450 CG1 VAL A 33 6.571 -1.403 1.550 1.00 0.00 C ATOM 451 CG2 VAL A 33 6.457 -2.612 3.761 1.00 0.00 C ATOM 0 H VAL A 33 8.626 -2.591 0.256 1.00 0.00 H new ATOM 0 HA VAL A 33 8.052 -4.311 2.614 1.00 0.00 H new ATOM 0 HB VAL A 33 8.216 -1.824 2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.291 -0.485 2.066 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.223 -1.163 0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.673 -1.900 1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.180 -1.670 4.233 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.555 -3.151 3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.029 -3.216 4.465 1.00 0.00 H new ATOM 461 N GLN A 34 5.727 -4.994 1.885 1.00 0.00 N ATOM 462 CA GLN A 34 4.579 -5.692 1.332 1.00 0.00 C ATOM 463 C GLN A 34 3.284 -5.150 1.941 1.00 0.00 C ATOM 464 O GLN A 34 3.154 -5.068 3.161 1.00 0.00 O ATOM 465 CB GLN A 34 4.698 -7.201 1.551 1.00 0.00 C ATOM 466 CG GLN A 34 3.404 -7.917 1.155 1.00 0.00 C ATOM 467 CD GLN A 34 2.801 -8.660 2.348 1.00 0.00 C ATOM 468 OE1 GLN A 34 3.442 -9.471 2.996 1.00 0.00 O ATOM 469 NE2 GLN A 34 1.536 -8.338 2.602 1.00 0.00 N ATOM 0 H GLN A 34 5.829 -5.075 2.897 1.00 0.00 H new ATOM 0 HA GLN A 34 4.554 -5.515 0.257 1.00 0.00 H new ATOM 0 HB2 GLN A 34 5.529 -7.593 0.964 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.924 -7.403 2.598 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.685 -7.192 0.773 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.606 -8.621 0.348 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.058 -7.650 2.020 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.044 -8.779 3.379 1.00 0.00 H new ATOM 478 N LEU A 35 2.358 -4.794 1.062 1.00 0.00 N ATOM 479 CA LEU A 35 1.078 -4.263 1.498 1.00 0.00 C ATOM 480 C LEU A 35 0.081 -5.412 1.658 1.00 0.00 C ATOM 481 O LEU A 35 -0.236 -6.103 0.691 1.00 0.00 O ATOM 482 CB LEU A 35 0.602 -3.164 0.545 1.00 0.00 C ATOM 483 CG LEU A 35 -0.807 -2.622 0.796 1.00 0.00 C ATOM 484 CD1 LEU A 35 -0.770 -1.411 1.730 1.00 0.00 C ATOM 485 CD2 LEU A 35 -1.516 -2.308 -0.522 1.00 0.00 C ATOM 0 H LEU A 35 2.469 -4.863 0.050 1.00 0.00 H new ATOM 0 HA LEU A 35 1.175 -3.787 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.305 -2.333 0.601 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.645 -3.550 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.387 -3.397 1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.784 -1.045 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.332 -1.701 2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.167 -0.622 1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.515 -1.925 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.946 -1.559 -1.072 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.593 -3.216 -1.119 1.00 0.00 H new ATOM 497 N SER A 36 -0.386 -5.581 2.886 1.00 0.00 N ATOM 498 CA SER A 36 -1.341 -6.635 3.185 1.00 0.00 C ATOM 499 C SER A 36 -2.756 -6.057 3.245 1.00 0.00 C ATOM 500 O SER A 36 -3.003 -5.082 3.953 1.00 0.00 O ATOM 501 CB SER A 36 -0.996 -7.332 4.503 1.00 0.00 C ATOM 502 OG SER A 36 0.411 -7.444 4.696 1.00 0.00 O ATOM 0 H SER A 36 -0.121 -5.006 3.686 1.00 0.00 H new ATOM 0 HA SER A 36 -1.292 -7.377 2.388 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.432 -6.775 5.332 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.444 -8.326 4.515 1.00 0.00 H new ATOM 0 HG SER A 36 0.635 -7.201 5.619 1.00 0.00 H new ATOM 508 N TRP A 37 -3.649 -6.683 2.492 1.00 0.00 N ATOM 509 CA TRP A 37 -5.033 -6.244 2.451 1.00 0.00 C ATOM 510 C TRP A 37 -5.926 -7.480 2.576 1.00 0.00 C ATOM 511 O TRP A 37 -5.477 -8.600 2.339 1.00 0.00 O ATOM 512 CB TRP A 37 -5.312 -5.430 1.185 1.00 0.00 C ATOM 513 CG TRP A 37 -5.130 -6.217 -0.114 1.00 0.00 C ATOM 514 CD1 TRP A 37 -5.984 -7.079 -0.683 1.00 0.00 C ATOM 515 CD2 TRP A 37 -3.982 -6.180 -0.987 1.00 0.00 C ATOM 516 NE1 TRP A 37 -5.472 -7.597 -1.855 1.00 0.00 N ATOM 517 CE2 TRP A 37 -4.216 -7.034 -2.046 1.00 0.00 C ATOM 518 CE3 TRP A 37 -2.785 -5.450 -0.886 1.00 0.00 C ATOM 519 CZ2 TRP A 37 -3.299 -7.237 -3.085 1.00 0.00 C ATOM 520 CZ3 TRP A 37 -1.879 -5.664 -1.932 1.00 0.00 C ATOM 521 CH2 TRP A 37 -2.100 -6.520 -3.005 1.00 0.00 C ATOM 0 H TRP A 37 -3.440 -7.491 1.905 1.00 0.00 H new ATOM 0 HA TRP A 37 -5.250 -5.573 3.283 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -6.333 -5.050 1.227 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -4.650 -4.564 1.169 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -6.951 -7.336 -0.276 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -5.931 -8.270 -2.469 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.580 -4.777 -0.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.506 -7.910 -3.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.943 -5.126 -1.903 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -1.349 -6.631 -3.774 1.00 0.00 H new ATOM 532 N THR A 38 -7.174 -7.234 2.947 1.00 0.00 N ATOM 533 CA THR A 38 -8.134 -8.314 3.106 1.00 0.00 C ATOM 534 C THR A 38 -9.400 -8.024 2.298 1.00 0.00 C ATOM 535 O THR A 38 -10.149 -7.103 2.620 1.00 0.00 O ATOM 536 CB THR A 38 -8.396 -8.496 4.602 1.00 0.00 C ATOM 537 OG1 THR A 38 -7.211 -9.123 5.088 1.00 0.00 O ATOM 538 CG2 THR A 38 -9.499 -9.518 4.883 1.00 0.00 C ATOM 0 H THR A 38 -7.543 -6.303 3.142 1.00 0.00 H new ATOM 0 HA THR A 38 -7.743 -9.253 2.713 1.00 0.00 H new ATOM 0 HB THR A 38 -8.669 -7.537 5.042 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.294 -9.277 6.052 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.645 -9.609 5.959 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.428 -9.188 4.417 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.211 -10.486 4.473 1.00 0.00 H new ATOM 546 N PRO A 39 -9.606 -8.850 1.237 1.00 0.00 N ATOM 547 CA PRO A 39 -10.770 -8.692 0.381 1.00 0.00 C ATOM 548 C PRO A 39 -12.033 -9.208 1.072 1.00 0.00 C ATOM 549 O PRO A 39 -12.217 -10.415 1.218 1.00 0.00 O ATOM 550 CB PRO A 39 -10.431 -9.459 -0.887 1.00 0.00 C ATOM 551 CG PRO A 39 -9.296 -10.399 -0.516 1.00 0.00 C ATOM 552 CD PRO A 39 -8.741 -9.952 0.827 1.00 0.00 C ATOM 0 HA PRO A 39 -10.987 -7.648 0.154 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.296 -10.015 -1.250 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.131 -8.780 -1.685 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.655 -11.427 -0.458 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.517 -10.376 -1.278 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.762 -10.764 1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.703 -9.630 0.739 1.00 0.00 H new ATOM 560 N GLY A 40 -12.872 -8.267 1.480 1.00 0.00 N ATOM 561 CA GLY A 40 -14.114 -8.611 2.152 1.00 0.00 C ATOM 562 C GLY A 40 -15.002 -9.475 1.255 1.00 0.00 C ATOM 563 O GLY A 40 -14.511 -10.363 0.560 1.00 0.00 O ATOM 0 H GLY A 40 -12.716 -7.266 1.358 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.895 -9.146 3.076 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.646 -7.701 2.428 1.00 0.00 H new ATOM 567 N ASP A 41 -16.294 -9.185 1.300 1.00 0.00 N ATOM 568 CA ASP A 41 -17.255 -9.925 0.500 1.00 0.00 C ATOM 569 C ASP A 41 -16.917 -9.755 -0.983 1.00 0.00 C ATOM 570 O ASP A 41 -16.274 -8.779 -1.368 1.00 0.00 O ATOM 571 CB ASP A 41 -18.676 -9.403 0.724 1.00 0.00 C ATOM 572 CG ASP A 41 -19.123 -9.352 2.186 1.00 0.00 C ATOM 573 OD1 ASP A 41 -19.362 -10.445 2.744 1.00 0.00 O ATOM 574 OD2 ASP A 41 -19.215 -8.222 2.712 1.00 0.00 O ATOM 0 H ASP A 41 -16.698 -8.448 1.878 1.00 0.00 H new ATOM 0 HA ASP A 41 -17.205 -10.973 0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -18.749 -8.401 0.302 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -19.370 -10.034 0.169 1.00 0.00 H new ATOM 579 N ASP A 42 -17.365 -10.718 -1.774 1.00 0.00 N ATOM 580 CA ASP A 42 -17.118 -10.687 -3.205 1.00 0.00 C ATOM 581 C ASP A 42 -18.416 -10.339 -3.935 1.00 0.00 C ATOM 582 O ASP A 42 -18.392 -9.945 -5.100 1.00 0.00 O ATOM 583 CB ASP A 42 -16.642 -12.050 -3.712 1.00 0.00 C ATOM 584 CG ASP A 42 -15.758 -12.830 -2.736 1.00 0.00 C ATOM 585 OD1 ASP A 42 -15.047 -12.162 -1.956 1.00 0.00 O ATOM 586 OD2 ASP A 42 -15.815 -14.078 -2.793 1.00 0.00 O ATOM 0 H ASP A 42 -17.898 -11.525 -1.451 1.00 0.00 H new ATOM 0 HA ASP A 42 -16.347 -9.941 -3.397 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -17.515 -12.657 -3.952 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -16.090 -11.903 -4.641 1.00 0.00 H new ATOM 591 N ASN A 43 -19.520 -10.496 -3.219 1.00 0.00 N ATOM 592 CA ASN A 43 -20.826 -10.203 -3.784 1.00 0.00 C ATOM 593 C ASN A 43 -21.068 -11.107 -4.995 1.00 0.00 C ATOM 594 O ASN A 43 -21.111 -10.633 -6.129 1.00 0.00 O ATOM 595 CB ASN A 43 -20.909 -8.749 -4.255 1.00 0.00 C ATOM 596 CG ASN A 43 -20.968 -7.790 -3.065 1.00 0.00 C ATOM 597 OD1 ASN A 43 -21.772 -6.873 -3.013 1.00 0.00 O ATOM 598 ND2 ASN A 43 -20.075 -8.050 -2.115 1.00 0.00 N ATOM 0 H ASN A 43 -19.537 -10.822 -2.253 1.00 0.00 H new ATOM 0 HA ASN A 43 -21.574 -10.375 -3.010 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -20.043 -8.513 -4.874 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -21.793 -8.615 -4.879 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -20.034 -7.466 -1.280 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -19.431 -8.834 -2.221 1.00 0.00 H new ATOM 605 N ASN A 44 -21.220 -12.392 -4.712 1.00 0.00 N ATOM 606 CA ASN A 44 -21.456 -13.367 -5.764 1.00 0.00 C ATOM 607 C ASN A 44 -20.216 -13.460 -6.655 1.00 0.00 C ATOM 608 O ASN A 44 -19.595 -14.517 -6.752 1.00 0.00 O ATOM 609 CB ASN A 44 -22.639 -12.954 -6.642 1.00 0.00 C ATOM 610 CG ASN A 44 -23.968 -13.330 -5.984 1.00 0.00 C ATOM 611 OD1 ASN A 44 -24.404 -14.469 -6.013 1.00 0.00 O ATOM 612 ND2 ASN A 44 -24.585 -12.312 -5.391 1.00 0.00 N ATOM 0 H ASN A 44 -21.184 -12.781 -3.770 1.00 0.00 H new ATOM 0 HA ASN A 44 -21.674 -14.325 -5.293 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -22.608 -11.879 -6.818 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -22.561 -13.439 -7.615 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -25.479 -12.460 -4.923 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -24.164 -11.383 -5.404 1.00 0.00 H new ATOM 619 N SER A 45 -19.892 -12.339 -7.284 1.00 0.00 N ATOM 620 CA SER A 45 -18.737 -12.281 -8.163 1.00 0.00 C ATOM 621 C SER A 45 -17.449 -12.329 -7.339 1.00 0.00 C ATOM 622 O SER A 45 -17.180 -11.427 -6.548 1.00 0.00 O ATOM 623 CB SER A 45 -18.767 -11.020 -9.029 1.00 0.00 C ATOM 624 OG SER A 45 -19.530 -11.207 -10.218 1.00 0.00 O ATOM 0 H SER A 45 -20.410 -11.464 -7.202 1.00 0.00 H new ATOM 0 HA SER A 45 -18.768 -13.145 -8.826 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.188 -10.195 -8.454 1.00 0.00 H new ATOM 0 HB3 SER A 45 -17.748 -10.737 -9.293 1.00 0.00 H new ATOM 0 HG SER A 45 -20.483 -11.251 -9.992 1.00 0.00 H new ATOM 630 N PRO A 46 -16.666 -13.419 -7.560 1.00 0.00 N ATOM 631 CA PRO A 46 -15.413 -13.597 -6.847 1.00 0.00 C ATOM 632 C PRO A 46 -14.331 -12.666 -7.399 1.00 0.00 C ATOM 633 O PRO A 46 -14.272 -12.423 -8.604 1.00 0.00 O ATOM 634 CB PRO A 46 -15.071 -15.069 -7.013 1.00 0.00 C ATOM 635 CG PRO A 46 -15.894 -15.557 -8.193 1.00 0.00 C ATOM 636 CD PRO A 46 -16.953 -14.508 -8.489 1.00 0.00 C ATOM 0 HA PRO A 46 -15.489 -13.336 -5.791 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.005 -15.204 -7.198 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.312 -15.630 -6.110 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.257 -15.713 -9.064 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -16.360 -16.515 -7.963 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.898 -14.171 -9.524 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.957 -14.905 -8.336 1.00 0.00 H new ATOM 644 N ILE A 47 -13.503 -12.169 -6.492 1.00 0.00 N ATOM 645 CA ILE A 47 -12.427 -11.270 -6.873 1.00 0.00 C ATOM 646 C ILE A 47 -11.569 -11.937 -7.951 1.00 0.00 C ATOM 647 O ILE A 47 -11.345 -13.145 -7.911 1.00 0.00 O ATOM 648 CB ILE A 47 -11.634 -10.831 -5.641 1.00 0.00 C ATOM 649 CG1 ILE A 47 -11.706 -9.313 -5.455 1.00 0.00 C ATOM 650 CG2 ILE A 47 -10.190 -11.332 -5.710 1.00 0.00 C ATOM 651 CD1 ILE A 47 -11.143 -8.584 -6.677 1.00 0.00 C ATOM 0 H ILE A 47 -13.556 -12.372 -5.494 1.00 0.00 H new ATOM 0 HA ILE A 47 -12.831 -10.355 -7.306 1.00 0.00 H new ATOM 0 HB ILE A 47 -12.090 -11.286 -4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -12.741 -9.012 -5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.146 -9.025 -4.565 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.649 -11.006 -4.822 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.185 -12.421 -5.759 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -9.706 -10.927 -6.599 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.206 -7.507 -6.519 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.101 -8.869 -6.823 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.720 -8.856 -7.561 1.00 0.00 H new ATOM 663 N THR A 48 -11.113 -11.119 -8.888 1.00 0.00 N ATOM 664 CA THR A 48 -10.285 -11.614 -9.975 1.00 0.00 C ATOM 665 C THR A 48 -8.948 -10.872 -10.007 1.00 0.00 C ATOM 666 O THR A 48 -7.921 -11.450 -10.358 1.00 0.00 O ATOM 667 CB THR A 48 -11.083 -11.486 -11.274 1.00 0.00 C ATOM 668 OG1 THR A 48 -11.478 -10.117 -11.305 1.00 0.00 O ATOM 669 CG2 THR A 48 -12.406 -12.254 -11.227 1.00 0.00 C ATOM 0 H THR A 48 -11.301 -10.117 -8.917 1.00 0.00 H new ATOM 0 HA THR A 48 -10.034 -12.665 -9.834 1.00 0.00 H new ATOM 0 HB THR A 48 -10.481 -11.850 -12.107 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.187 -9.674 -10.481 1.00 0.00 H new ATOM 0 HG21 THR A 48 -12.933 -12.130 -12.173 1.00 0.00 H new ATOM 0 HG22 THR A 48 -12.207 -13.312 -11.059 1.00 0.00 H new ATOM 0 HG23 THR A 48 -13.022 -11.868 -10.415 1.00 0.00 H new ATOM 677 N LYS A 49 -9.004 -9.601 -9.636 1.00 0.00 N ATOM 678 CA LYS A 49 -7.810 -8.773 -9.619 1.00 0.00 C ATOM 679 C LYS A 49 -7.891 -7.794 -8.445 1.00 0.00 C ATOM 680 O LYS A 49 -8.974 -7.533 -7.923 1.00 0.00 O ATOM 681 CB LYS A 49 -7.610 -8.092 -10.974 1.00 0.00 C ATOM 682 CG LYS A 49 -7.066 -6.673 -10.800 1.00 0.00 C ATOM 683 CD LYS A 49 -6.847 -5.999 -12.156 1.00 0.00 C ATOM 684 CE LYS A 49 -8.179 -5.757 -12.869 1.00 0.00 C ATOM 685 NZ LYS A 49 -8.100 -6.201 -14.279 1.00 0.00 N ATOM 0 H LYS A 49 -9.858 -9.125 -9.345 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.923 -9.387 -9.463 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.920 -8.678 -11.581 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.558 -8.059 -11.511 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.763 -6.083 -10.205 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.126 -6.705 -10.250 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.328 -5.051 -12.015 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.206 -6.624 -12.778 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.976 -6.295 -12.356 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.433 -4.698 -12.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.012 -6.030 -14.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -7.353 -5.669 -14.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -7.879 -7.217 -14.311 1.00 0.00 H new ATOM 699 N PHE A 50 -6.731 -7.280 -8.065 1.00 0.00 N ATOM 700 CA PHE A 50 -6.657 -6.336 -6.963 1.00 0.00 C ATOM 701 C PHE A 50 -5.766 -5.144 -7.320 1.00 0.00 C ATOM 702 O PHE A 50 -4.545 -5.274 -7.383 1.00 0.00 O ATOM 703 CB PHE A 50 -6.040 -7.080 -5.777 1.00 0.00 C ATOM 704 CG PHE A 50 -7.035 -7.943 -4.998 1.00 0.00 C ATOM 705 CD1 PHE A 50 -8.172 -7.388 -4.499 1.00 0.00 C ATOM 706 CD2 PHE A 50 -6.783 -9.266 -4.805 1.00 0.00 C ATOM 707 CE1 PHE A 50 -9.095 -8.189 -3.776 1.00 0.00 C ATOM 708 CE2 PHE A 50 -7.706 -10.067 -4.083 1.00 0.00 C ATOM 709 CZ PHE A 50 -8.843 -9.511 -3.583 1.00 0.00 C ATOM 0 H PHE A 50 -5.835 -7.499 -8.500 1.00 0.00 H new ATOM 0 HA PHE A 50 -7.652 -5.956 -6.732 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.231 -7.714 -6.140 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.595 -6.353 -5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -8.373 -6.338 -4.653 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -5.880 -9.707 -5.201 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -9.997 -7.748 -3.379 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.506 -11.117 -3.931 1.00 0.00 H new ATOM 0 HZ PHE A 50 -9.545 -10.120 -3.033 1.00 0.00 H new ATOM 719 N ILE A 51 -6.412 -4.010 -7.545 1.00 0.00 N ATOM 720 CA ILE A 51 -5.694 -2.796 -7.895 1.00 0.00 C ATOM 721 C ILE A 51 -5.307 -2.051 -6.616 1.00 0.00 C ATOM 722 O ILE A 51 -5.974 -2.182 -5.591 1.00 0.00 O ATOM 723 CB ILE A 51 -6.513 -1.952 -8.874 1.00 0.00 C ATOM 724 CG1 ILE A 51 -6.697 -2.681 -10.206 1.00 0.00 C ATOM 725 CG2 ILE A 51 -5.889 -0.568 -9.059 1.00 0.00 C ATOM 726 CD1 ILE A 51 -8.179 -2.925 -10.498 1.00 0.00 C ATOM 0 H ILE A 51 -7.425 -3.906 -7.492 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.768 -3.038 -8.416 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.506 -1.803 -8.449 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.256 -2.092 -11.011 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.166 -3.633 -10.180 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.490 0.012 -9.759 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.854 -0.053 -8.099 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -4.877 -0.674 -9.451 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.281 -3.445 -11.451 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.611 -3.534 -9.704 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -8.702 -1.970 -10.548 1.00 0.00 H new ATOM 738 N ILE A 52 -4.229 -1.287 -6.718 1.00 0.00 N ATOM 739 CA ILE A 52 -3.745 -0.521 -5.582 1.00 0.00 C ATOM 740 C ILE A 52 -3.442 0.910 -6.029 1.00 0.00 C ATOM 741 O ILE A 52 -3.171 1.153 -7.204 1.00 0.00 O ATOM 742 CB ILE A 52 -2.554 -1.227 -4.930 1.00 0.00 C ATOM 743 CG1 ILE A 52 -2.977 -2.563 -4.316 1.00 0.00 C ATOM 744 CG2 ILE A 52 -1.871 -0.317 -3.906 1.00 0.00 C ATOM 745 CD1 ILE A 52 -2.076 -3.699 -4.803 1.00 0.00 C ATOM 0 H ILE A 52 -3.677 -1.182 -7.570 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.512 -0.458 -4.810 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.821 -1.447 -5.706 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.932 -2.498 -3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.013 -2.777 -4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.028 -0.843 -3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.514 0.585 -4.402 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.584 -0.045 -3.128 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.398 -4.638 -4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.143 -3.776 -5.888 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.045 -3.494 -4.516 1.00 0.00 H new ATOM 757 N GLU A 53 -3.498 1.821 -5.068 1.00 0.00 N ATOM 758 CA GLU A 53 -3.233 3.222 -5.348 1.00 0.00 C ATOM 759 C GLU A 53 -2.652 3.910 -4.111 1.00 0.00 C ATOM 760 O GLU A 53 -2.624 3.327 -3.028 1.00 0.00 O ATOM 761 CB GLU A 53 -4.499 3.934 -5.828 1.00 0.00 C ATOM 762 CG GLU A 53 -4.618 3.873 -7.352 1.00 0.00 C ATOM 763 CD GLU A 53 -5.994 4.357 -7.815 1.00 0.00 C ATOM 764 OE1 GLU A 53 -6.189 5.591 -7.820 1.00 0.00 O ATOM 765 OE2 GLU A 53 -6.819 3.481 -8.153 1.00 0.00 O ATOM 0 H GLU A 53 -3.723 1.616 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.497 3.279 -6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.375 3.472 -5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.481 4.974 -5.502 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.841 4.488 -7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.455 2.850 -7.692 1.00 0.00 H new ATOM 772 N TYR A 54 -2.204 5.140 -4.313 1.00 0.00 N ATOM 773 CA TYR A 54 -1.626 5.913 -3.227 1.00 0.00 C ATOM 774 C TYR A 54 -1.675 7.411 -3.535 1.00 0.00 C ATOM 775 O TYR A 54 -1.810 7.807 -4.692 1.00 0.00 O ATOM 776 CB TYR A 54 -0.164 5.473 -3.128 1.00 0.00 C ATOM 777 CG TYR A 54 0.754 6.125 -4.164 1.00 0.00 C ATOM 778 CD1 TYR A 54 1.361 7.333 -3.886 1.00 0.00 C ATOM 779 CD2 TYR A 54 0.976 5.505 -5.377 1.00 0.00 C ATOM 780 CE1 TYR A 54 2.225 7.946 -4.861 1.00 0.00 C ATOM 781 CE2 TYR A 54 1.840 6.118 -6.352 1.00 0.00 C ATOM 782 CZ TYR A 54 2.422 7.309 -6.046 1.00 0.00 C ATOM 783 OH TYR A 54 3.238 7.888 -6.966 1.00 0.00 O ATOM 0 H TYR A 54 -2.230 5.621 -5.212 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.177 5.746 -2.301 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.208 5.706 -2.130 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.113 4.390 -3.242 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.188 7.818 -2.937 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.501 4.560 -5.595 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.706 8.891 -4.656 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.022 5.643 -7.305 1.00 0.00 H new ATOM 0 HH TYR A 54 3.286 7.321 -7.764 1.00 0.00 H new ATOM 793 N GLU A 55 -1.563 8.204 -2.479 1.00 0.00 N ATOM 794 CA GLU A 55 -1.594 9.649 -2.621 1.00 0.00 C ATOM 795 C GLU A 55 -0.481 10.288 -1.787 1.00 0.00 C ATOM 796 O GLU A 55 -0.121 9.774 -0.729 1.00 0.00 O ATOM 797 CB GLU A 55 -2.963 10.210 -2.231 1.00 0.00 C ATOM 798 CG GLU A 55 -3.326 9.823 -0.796 1.00 0.00 C ATOM 799 CD GLU A 55 -3.316 11.047 0.122 1.00 0.00 C ATOM 800 OE1 GLU A 55 -2.205 11.568 0.360 1.00 0.00 O ATOM 801 OE2 GLU A 55 -4.419 11.434 0.564 1.00 0.00 O ATOM 0 H GLU A 55 -1.451 7.872 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.423 9.895 -3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.956 11.296 -2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.723 9.834 -2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.312 9.360 -0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.619 9.081 -0.426 1.00 0.00 H new ATOM 808 N ASP A 56 0.031 11.400 -2.294 1.00 0.00 N ATOM 809 CA ASP A 56 1.095 12.114 -1.609 1.00 0.00 C ATOM 810 C ASP A 56 0.482 13.167 -0.683 1.00 0.00 C ATOM 811 O ASP A 56 0.197 14.285 -1.111 1.00 0.00 O ATOM 812 CB ASP A 56 2.006 12.833 -2.605 1.00 0.00 C ATOM 813 CG ASP A 56 3.222 13.526 -1.987 1.00 0.00 C ATOM 814 OD1 ASP A 56 3.239 13.638 -0.742 1.00 0.00 O ATOM 815 OD2 ASP A 56 4.107 13.928 -2.772 1.00 0.00 O ATOM 0 H ASP A 56 -0.271 11.824 -3.171 1.00 0.00 H new ATOM 0 HA ASP A 56 1.680 11.388 -1.045 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.355 12.110 -3.342 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.417 13.577 -3.142 1.00 0.00 H new ATOM 820 N ALA A 57 0.297 12.773 0.568 1.00 0.00 N ATOM 821 CA ALA A 57 -0.277 13.668 1.558 1.00 0.00 C ATOM 822 C ALA A 57 0.788 14.670 2.011 1.00 0.00 C ATOM 823 O ALA A 57 0.503 15.570 2.799 1.00 0.00 O ATOM 824 CB ALA A 57 -0.840 12.850 2.722 1.00 0.00 C ATOM 0 H ALA A 57 0.535 11.845 0.919 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.103 14.235 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.270 13.522 3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.612 12.175 2.353 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.039 12.269 3.180 1.00 0.00 H new ATOM 830 N MET A 58 1.992 14.480 1.492 1.00 0.00 N ATOM 831 CA MET A 58 3.100 15.356 1.833 1.00 0.00 C ATOM 832 C MET A 58 3.272 16.457 0.784 1.00 0.00 C ATOM 833 O MET A 58 4.106 17.346 0.943 1.00 0.00 O ATOM 834 CB MET A 58 4.388 14.536 1.928 1.00 0.00 C ATOM 835 CG MET A 58 5.587 15.433 2.241 1.00 0.00 C ATOM 836 SD MET A 58 6.972 14.439 2.771 1.00 0.00 S ATOM 837 CE MET A 58 6.789 14.572 4.542 1.00 0.00 C ATOM 0 H MET A 58 2.225 13.733 0.838 1.00 0.00 H new ATOM 0 HA MET A 58 2.885 15.825 2.793 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.284 13.778 2.704 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.558 14.010 0.989 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.860 16.010 1.358 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.323 16.148 3.020 1.00 0.00 H new ATOM 0 HE1 MET A 58 7.382 13.798 5.028 1.00 0.00 H new ATOM 0 HE2 MET A 58 7.133 15.553 4.871 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.740 14.447 4.810 1.00 0.00 H new ATOM 847 N HIS A 59 2.468 16.361 -0.265 1.00 0.00 N ATOM 848 CA HIS A 59 2.521 17.337 -1.340 1.00 0.00 C ATOM 849 C HIS A 59 1.102 17.648 -1.821 1.00 0.00 C ATOM 850 O HIS A 59 0.657 18.793 -1.754 1.00 0.00 O ATOM 851 CB HIS A 59 3.437 16.856 -2.467 1.00 0.00 C ATOM 852 CG HIS A 59 4.873 16.652 -2.047 1.00 0.00 C ATOM 853 ND1 HIS A 59 5.262 15.660 -1.164 1.00 0.00 N ATOM 854 CD2 HIS A 59 6.008 17.322 -2.398 1.00 0.00 C ATOM 855 CE1 HIS A 59 6.574 15.739 -0.997 1.00 0.00 C ATOM 856 NE2 HIS A 59 7.034 16.770 -1.763 1.00 0.00 N ATOM 0 H HIS A 59 1.776 15.622 -0.393 1.00 0.00 H new ATOM 0 HA HIS A 59 2.954 18.266 -0.971 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.048 15.917 -2.862 1.00 0.00 H new ATOM 0 HB3 HIS A 59 3.407 17.581 -3.280 1.00 0.00 H new ATOM 0 HD2 HIS A 59 6.062 18.160 -3.077 1.00 0.00 H new ATOM 0 HE1 HIS A 59 7.174 15.100 -0.366 1.00 0.00 H new ATOM 0 HE2 HIS A 59 8.007 17.068 -1.836 1.00 0.00 H new ATOM 864 N LYS A 60 0.431 16.608 -2.295 1.00 0.00 N ATOM 865 CA LYS A 60 -0.928 16.756 -2.787 1.00 0.00 C ATOM 866 C LYS A 60 -1.802 15.648 -2.196 1.00 0.00 C ATOM 867 O LYS A 60 -1.904 14.562 -2.766 1.00 0.00 O ATOM 868 CB LYS A 60 -0.942 16.802 -4.316 1.00 0.00 C ATOM 869 CG LYS A 60 -0.369 18.124 -4.830 1.00 0.00 C ATOM 870 CD LYS A 60 1.119 17.986 -5.157 1.00 0.00 C ATOM 871 CE LYS A 60 1.335 17.794 -6.659 1.00 0.00 C ATOM 872 NZ LYS A 60 2.419 16.817 -6.906 1.00 0.00 N ATOM 0 H LYS A 60 0.803 15.660 -2.349 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.351 17.705 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.360 15.970 -4.714 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.963 16.679 -4.678 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.913 18.439 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.509 18.902 -4.079 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.653 18.874 -4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.537 17.138 -4.615 1.00 0.00 H new ATOM 0 HE2 LYS A 60 0.412 17.447 -7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.586 18.749 -7.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.553 16.698 -7.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.302 17.163 -6.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.165 15.902 -6.482 1.00 0.00 H new ATOM 886 N PRO A 61 -2.428 15.968 -1.032 1.00 0.00 N ATOM 887 CA PRO A 61 -3.290 15.012 -0.358 1.00 0.00 C ATOM 888 C PRO A 61 -4.632 14.879 -1.082 1.00 0.00 C ATOM 889 O PRO A 61 -5.342 15.866 -1.267 1.00 0.00 O ATOM 890 CB PRO A 61 -3.431 15.540 1.060 1.00 0.00 C ATOM 891 CG PRO A 61 -3.028 17.005 1.001 1.00 0.00 C ATOM 892 CD PRO A 61 -2.331 17.243 -0.328 1.00 0.00 C ATOM 0 HA PRO A 61 -2.877 14.003 -0.354 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.455 15.431 1.418 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.792 14.987 1.748 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.905 17.646 1.092 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.365 17.252 1.830 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.813 18.043 -0.890 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.291 17.537 -0.183 1.00 0.00 H new ATOM 900 N GLY A 62 -4.937 13.650 -1.473 1.00 0.00 N ATOM 901 CA GLY A 62 -6.181 13.375 -2.172 1.00 0.00 C ATOM 902 C GLY A 62 -5.912 12.907 -3.604 1.00 0.00 C ATOM 903 O GLY A 62 -6.759 12.258 -4.218 1.00 0.00 O ATOM 0 H GLY A 62 -4.345 12.834 -1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.743 12.611 -1.635 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -6.799 14.273 -2.189 1.00 0.00 H new ATOM 907 N LEU A 63 -4.731 13.253 -4.094 1.00 0.00 N ATOM 908 CA LEU A 63 -4.341 12.877 -5.442 1.00 0.00 C ATOM 909 C LEU A 63 -3.850 11.427 -5.440 1.00 0.00 C ATOM 910 O LEU A 63 -2.719 11.152 -5.044 1.00 0.00 O ATOM 911 CB LEU A 63 -3.321 13.870 -6.002 1.00 0.00 C ATOM 912 CG LEU A 63 -3.248 13.969 -7.527 1.00 0.00 C ATOM 913 CD1 LEU A 63 -4.554 14.520 -8.104 1.00 0.00 C ATOM 914 CD2 LEU A 63 -2.036 14.792 -7.966 1.00 0.00 C ATOM 0 H LEU A 63 -4.031 13.790 -3.582 1.00 0.00 H new ATOM 0 HA LEU A 63 -5.198 12.924 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.550 14.859 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.334 13.597 -5.628 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.117 12.964 -7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.475 14.580 -9.189 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.378 13.859 -7.836 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.740 15.514 -7.698 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.008 14.846 -9.054 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.111 15.798 -7.554 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.124 14.318 -7.603 1.00 0.00 H new ATOM 926 N TRP A 64 -4.726 10.539 -5.888 1.00 0.00 N ATOM 927 CA TRP A 64 -4.396 9.125 -5.942 1.00 0.00 C ATOM 928 C TRP A 64 -3.834 8.824 -7.333 1.00 0.00 C ATOM 929 O TRP A 64 -4.332 9.340 -8.333 1.00 0.00 O ATOM 930 CB TRP A 64 -5.610 8.265 -5.589 1.00 0.00 C ATOM 931 CG TRP A 64 -6.227 8.588 -4.227 1.00 0.00 C ATOM 932 CD1 TRP A 64 -7.245 9.417 -3.958 1.00 0.00 C ATOM 933 CD2 TRP A 64 -5.822 8.052 -2.950 1.00 0.00 C ATOM 934 NE1 TRP A 64 -7.525 9.454 -2.607 1.00 0.00 N ATOM 935 CE2 TRP A 64 -6.632 8.597 -1.975 1.00 0.00 C ATOM 936 CE3 TRP A 64 -4.805 7.135 -2.630 1.00 0.00 C ATOM 937 CZ2 TRP A 64 -6.508 8.289 -0.615 1.00 0.00 C ATOM 938 CZ3 TRP A 64 -4.694 6.837 -1.266 1.00 0.00 C ATOM 939 CH2 TRP A 64 -5.501 7.378 -0.272 1.00 0.00 C ATOM 0 H TRP A 64 -5.663 10.771 -6.217 1.00 0.00 H new ATOM 0 HA TRP A 64 -3.638 8.877 -5.199 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.370 8.393 -6.360 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.315 7.216 -5.603 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -7.779 9.985 -4.705 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.253 10.008 -2.156 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -4.161 6.695 -3.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -7.154 8.730 0.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.928 6.138 -0.965 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -5.352 7.097 0.760 1.00 0.00 H new ATOM 950 N HIS A 65 -2.805 7.991 -7.353 1.00 0.00 N ATOM 951 CA HIS A 65 -2.170 7.615 -8.605 1.00 0.00 C ATOM 952 C HIS A 65 -2.073 6.091 -8.694 1.00 0.00 C ATOM 953 O HIS A 65 -1.783 5.424 -7.701 1.00 0.00 O ATOM 954 CB HIS A 65 -0.813 8.305 -8.755 1.00 0.00 C ATOM 955 CG HIS A 65 -0.866 9.806 -8.595 1.00 0.00 C ATOM 956 ND1 HIS A 65 -1.048 10.668 -9.663 1.00 0.00 N ATOM 957 CD2 HIS A 65 -0.761 10.588 -7.482 1.00 0.00 C ATOM 958 CE1 HIS A 65 -1.049 11.910 -9.202 1.00 0.00 C ATOM 959 NE2 HIS A 65 -0.871 11.858 -7.850 1.00 0.00 N ATOM 0 H HIS A 65 -2.394 7.565 -6.522 1.00 0.00 H new ATOM 0 HA HIS A 65 -2.780 7.955 -9.442 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -0.125 7.895 -8.016 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.403 8.069 -9.737 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.162 10.394 -10.639 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.613 10.233 -6.473 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -1.170 12.806 -9.792 1.00 0.00 H new ATOM 967 N HIS A 66 -2.320 5.583 -9.892 1.00 0.00 N ATOM 968 CA HIS A 66 -2.264 4.149 -10.124 1.00 0.00 C ATOM 969 C HIS A 66 -0.918 3.604 -9.642 1.00 0.00 C ATOM 970 O HIS A 66 0.135 4.059 -10.087 1.00 0.00 O ATOM 971 CB HIS A 66 -2.544 3.825 -11.593 1.00 0.00 C ATOM 972 CG HIS A 66 -3.447 2.631 -11.796 1.00 0.00 C ATOM 973 ND1 HIS A 66 -3.154 1.376 -11.293 1.00 0.00 N ATOM 974 CD2 HIS A 66 -4.637 2.516 -12.452 1.00 0.00 C ATOM 975 CE1 HIS A 66 -4.131 0.549 -11.638 1.00 0.00 C ATOM 976 NE2 HIS A 66 -5.049 1.258 -12.356 1.00 0.00 N ATOM 0 H HIS A 66 -2.560 6.139 -10.713 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.045 3.652 -9.548 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.998 4.696 -12.067 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.597 3.643 -12.101 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.156 3.313 -12.963 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.190 -0.501 -11.394 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.910 0.883 -12.754 1.00 0.00 H new ATOM 984 N GLN A 67 -0.996 2.637 -8.740 1.00 0.00 N ATOM 985 CA GLN A 67 0.203 2.025 -8.193 1.00 0.00 C ATOM 986 C GLN A 67 0.509 0.714 -8.921 1.00 0.00 C ATOM 987 O GLN A 67 1.420 0.656 -9.745 1.00 0.00 O ATOM 988 CB GLN A 67 0.063 1.796 -6.687 1.00 0.00 C ATOM 989 CG GLN A 67 1.317 1.130 -6.116 1.00 0.00 C ATOM 990 CD GLN A 67 2.134 2.122 -5.286 1.00 0.00 C ATOM 991 OE1 GLN A 67 2.537 3.176 -5.750 1.00 0.00 O ATOM 992 NE2 GLN A 67 2.357 1.727 -4.035 1.00 0.00 N ATOM 0 H GLN A 67 -1.871 2.262 -8.374 1.00 0.00 H new ATOM 0 HA GLN A 67 1.039 2.707 -8.347 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.108 2.748 -6.185 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.808 1.170 -6.490 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.032 0.280 -5.496 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.929 0.740 -6.930 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.991 0.832 -3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.894 2.319 -3.401 1.00 0.00 H new ATOM 1001 N THR A 68 -0.270 -0.305 -8.591 1.00 0.00 N ATOM 1002 CA THR A 68 -0.094 -1.611 -9.203 1.00 0.00 C ATOM 1003 C THR A 68 -1.241 -2.544 -8.810 1.00 0.00 C ATOM 1004 O THR A 68 -1.842 -2.381 -7.749 1.00 0.00 O ATOM 1005 CB THR A 68 1.284 -2.139 -8.801 1.00 0.00 C ATOM 1006 OG1 THR A 68 1.445 -3.320 -9.583 1.00 0.00 O ATOM 1007 CG2 THR A 68 1.320 -2.641 -7.356 1.00 0.00 C ATOM 0 H THR A 68 -1.025 -0.253 -7.907 1.00 0.00 H new ATOM 0 HA THR A 68 -0.129 -1.546 -10.291 1.00 0.00 H new ATOM 0 HB THR A 68 2.026 -1.351 -8.930 1.00 0.00 H new ATOM 0 HG1 THR A 68 2.315 -3.727 -9.386 1.00 0.00 H new ATOM 0 HG21 THR A 68 2.321 -3.005 -7.122 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.063 -1.825 -6.681 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.602 -3.452 -7.234 1.00 0.00 H new ATOM 1015 N GLU A 69 -1.510 -3.500 -9.686 1.00 0.00 N ATOM 1016 CA GLU A 69 -2.575 -4.459 -9.443 1.00 0.00 C ATOM 1017 C GLU A 69 -2.018 -5.884 -9.452 1.00 0.00 C ATOM 1018 O GLU A 69 -0.927 -6.125 -9.967 1.00 0.00 O ATOM 1019 CB GLU A 69 -3.698 -4.303 -10.470 1.00 0.00 C ATOM 1020 CG GLU A 69 -3.149 -4.361 -11.896 1.00 0.00 C ATOM 1021 CD GLU A 69 -2.530 -5.729 -12.190 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -3.095 -6.727 -11.693 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -1.505 -5.746 -12.906 1.00 0.00 O ATOM 0 H GLU A 69 -1.009 -3.632 -10.565 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.998 -4.261 -8.458 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.437 -5.092 -10.329 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.211 -3.354 -10.312 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.951 -4.160 -12.607 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.399 -3.582 -12.033 1.00 0.00 H new ATOM 1030 N VAL A 70 -2.792 -6.792 -8.877 1.00 0.00 N ATOM 1031 CA VAL A 70 -2.390 -8.187 -8.813 1.00 0.00 C ATOM 1032 C VAL A 70 -3.597 -9.076 -9.118 1.00 0.00 C ATOM 1033 O VAL A 70 -4.672 -8.578 -9.448 1.00 0.00 O ATOM 1034 CB VAL A 70 -1.755 -8.487 -7.453 1.00 0.00 C ATOM 1035 CG1 VAL A 70 -0.234 -8.597 -7.570 1.00 0.00 C ATOM 1036 CG2 VAL A 70 -2.151 -7.430 -6.419 1.00 0.00 C ATOM 0 H VAL A 70 -3.696 -6.589 -8.451 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.631 -8.400 -9.566 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.134 -9.450 -7.111 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.192 -8.810 -6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.021 -9.402 -8.259 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.171 -7.657 -7.945 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.687 -7.666 -5.461 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.814 -6.449 -6.754 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.235 -7.421 -6.305 1.00 0.00 H new ATOM 1046 N SER A 71 -3.379 -10.377 -8.998 1.00 0.00 N ATOM 1047 CA SER A 71 -4.435 -11.341 -9.257 1.00 0.00 C ATOM 1048 C SER A 71 -5.457 -11.315 -8.119 1.00 0.00 C ATOM 1049 O SER A 71 -5.222 -10.695 -7.082 1.00 0.00 O ATOM 1050 CB SER A 71 -3.866 -12.750 -9.427 1.00 0.00 C ATOM 1051 OG SER A 71 -4.114 -13.273 -10.729 1.00 0.00 O ATOM 0 H SER A 71 -2.486 -10.787 -8.725 1.00 0.00 H new ATOM 0 HA SER A 71 -4.930 -11.064 -10.188 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.792 -12.732 -9.242 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.307 -13.411 -8.681 1.00 0.00 H new ATOM 0 HG SER A 71 -3.734 -14.174 -10.798 1.00 0.00 H new ATOM 1057 N GLY A 72 -6.570 -11.995 -8.350 1.00 0.00 N ATOM 1058 CA GLY A 72 -7.629 -12.058 -7.357 1.00 0.00 C ATOM 1059 C GLY A 72 -7.439 -13.259 -6.428 1.00 0.00 C ATOM 1060 O GLY A 72 -8.394 -13.730 -5.813 1.00 0.00 O ATOM 0 H GLY A 72 -6.762 -12.507 -9.211 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.638 -11.139 -6.771 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.596 -12.129 -7.855 1.00 0.00 H new ATOM 1064 N THR A 73 -6.199 -13.719 -6.354 1.00 0.00 N ATOM 1065 CA THR A 73 -5.871 -14.855 -5.510 1.00 0.00 C ATOM 1066 C THR A 73 -4.907 -14.434 -4.399 1.00 0.00 C ATOM 1067 O THR A 73 -4.971 -14.953 -3.286 1.00 0.00 O ATOM 1068 CB THR A 73 -5.317 -15.965 -6.406 1.00 0.00 C ATOM 1069 OG1 THR A 73 -6.420 -16.850 -6.584 1.00 0.00 O ATOM 1070 CG2 THR A 73 -4.265 -16.820 -5.697 1.00 0.00 C ATOM 0 H THR A 73 -5.409 -13.325 -6.865 1.00 0.00 H new ATOM 0 HA THR A 73 -6.756 -15.238 -5.002 1.00 0.00 H new ATOM 0 HB THR A 73 -4.882 -15.524 -7.303 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.149 -17.599 -7.155 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.905 -17.592 -6.377 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.431 -16.190 -5.390 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.709 -17.288 -4.818 1.00 0.00 H new ATOM 1078 N GLN A 74 -4.035 -13.496 -4.740 1.00 0.00 N ATOM 1079 CA GLN A 74 -3.059 -12.999 -3.786 1.00 0.00 C ATOM 1080 C GLN A 74 -3.630 -11.809 -3.013 1.00 0.00 C ATOM 1081 O GLN A 74 -4.586 -11.176 -3.459 1.00 0.00 O ATOM 1082 CB GLN A 74 -1.751 -12.622 -4.485 1.00 0.00 C ATOM 1083 CG GLN A 74 -1.844 -11.227 -5.106 1.00 0.00 C ATOM 1084 CD GLN A 74 -0.457 -10.699 -5.479 1.00 0.00 C ATOM 1085 OE1 GLN A 74 0.302 -11.328 -6.197 1.00 0.00 O ATOM 1086 NE2 GLN A 74 -0.171 -9.511 -4.953 1.00 0.00 N ATOM 0 H GLN A 74 -3.985 -13.067 -5.664 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.837 -13.795 -3.076 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -0.930 -12.651 -3.769 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.524 -13.355 -5.260 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.475 -11.262 -5.994 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.320 -10.543 -4.403 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -0.853 -9.038 -4.360 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.730 -9.073 -5.143 1.00 0.00 H new ATOM 1095 N THR A 75 -3.022 -11.540 -1.867 1.00 0.00 N ATOM 1096 CA THR A 75 -3.458 -10.437 -1.028 1.00 0.00 C ATOM 1097 C THR A 75 -2.251 -9.701 -0.444 1.00 0.00 C ATOM 1098 O THR A 75 -2.364 -9.033 0.583 1.00 0.00 O ATOM 1099 CB THR A 75 -4.402 -10.999 0.038 1.00 0.00 C ATOM 1100 OG1 THR A 75 -3.830 -12.259 0.379 1.00 0.00 O ATOM 1101 CG2 THR A 75 -5.778 -11.355 -0.528 1.00 0.00 C ATOM 0 H THR A 75 -2.230 -12.068 -1.500 1.00 0.00 H new ATOM 0 HA THR A 75 -4.004 -9.692 -1.606 1.00 0.00 H new ATOM 0 HB THR A 75 -4.517 -10.271 0.841 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.378 -12.692 1.066 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.408 -11.749 0.269 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.240 -10.462 -0.949 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.667 -12.108 -1.308 1.00 0.00 H new ATOM 1109 N THR A 76 -1.123 -9.849 -1.123 1.00 0.00 N ATOM 1110 CA THR A 76 0.104 -9.206 -0.684 1.00 0.00 C ATOM 1111 C THR A 76 0.942 -8.776 -1.890 1.00 0.00 C ATOM 1112 O THR A 76 1.369 -9.613 -2.684 1.00 0.00 O ATOM 1113 CB THR A 76 0.836 -10.172 0.250 1.00 0.00 C ATOM 1114 OG1 THR A 76 0.730 -11.434 -0.403 1.00 0.00 O ATOM 1115 CG2 THR A 76 0.098 -10.376 1.576 1.00 0.00 C ATOM 0 H THR A 76 -1.033 -10.405 -1.974 1.00 0.00 H new ATOM 0 HA THR A 76 -0.106 -8.291 -0.130 1.00 0.00 H new ATOM 0 HB THR A 76 1.840 -9.796 0.447 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.969 -11.334 -1.348 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.659 -11.070 2.202 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.002 -9.420 2.090 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.894 -10.784 1.381 1.00 0.00 H new ATOM 1123 N ALA A 77 1.151 -7.472 -1.990 1.00 0.00 N ATOM 1124 CA ALA A 77 1.930 -6.921 -3.085 1.00 0.00 C ATOM 1125 C ALA A 77 3.022 -6.009 -2.521 1.00 0.00 C ATOM 1126 O ALA A 77 2.773 -5.233 -1.599 1.00 0.00 O ATOM 1127 CB ALA A 77 1.001 -6.187 -4.054 1.00 0.00 C ATOM 0 H ALA A 77 0.794 -6.781 -1.330 1.00 0.00 H new ATOM 0 HA ALA A 77 2.422 -7.717 -3.644 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.586 -5.773 -4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.263 -6.885 -4.449 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.492 -5.379 -3.528 1.00 0.00 H new ATOM 1133 N GLN A 78 4.208 -6.132 -3.099 1.00 0.00 N ATOM 1134 CA GLN A 78 5.338 -5.328 -2.665 1.00 0.00 C ATOM 1135 C GLN A 78 5.135 -3.866 -3.067 1.00 0.00 C ATOM 1136 O GLN A 78 4.702 -3.579 -4.182 1.00 0.00 O ATOM 1137 CB GLN A 78 6.650 -5.876 -3.232 1.00 0.00 C ATOM 1138 CG GLN A 78 7.632 -4.742 -3.535 1.00 0.00 C ATOM 1139 CD GLN A 78 8.963 -5.293 -4.050 1.00 0.00 C ATOM 1140 OE1 GLN A 78 9.470 -4.896 -5.086 1.00 0.00 O ATOM 1141 NE2 GLN A 78 9.499 -6.228 -3.271 1.00 0.00 N ATOM 0 H GLN A 78 4.411 -6.776 -3.864 1.00 0.00 H new ATOM 0 HA GLN A 78 5.400 -5.380 -1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 78 7.097 -6.569 -2.519 1.00 0.00 H new ATOM 0 HB3 GLN A 78 6.449 -6.441 -4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 78 7.200 -4.071 -4.278 1.00 0.00 H new ATOM 0 HG3 GLN A 78 7.802 -4.153 -2.634 1.00 0.00 H new ATOM 0 HE21 GLN A 78 9.022 -6.515 -2.416 1.00 0.00 H new ATOM 0 HE22 GLN A 78 10.387 -6.658 -3.528 1.00 0.00 H new ATOM 1150 N LEU A 79 5.458 -2.980 -2.136 1.00 0.00 N ATOM 1151 CA LEU A 79 5.316 -1.554 -2.379 1.00 0.00 C ATOM 1152 C LEU A 79 6.698 -0.898 -2.357 1.00 0.00 C ATOM 1153 O LEU A 79 7.438 -1.034 -1.383 1.00 0.00 O ATOM 1154 CB LEU A 79 4.326 -0.938 -1.389 1.00 0.00 C ATOM 1155 CG LEU A 79 2.890 -1.461 -1.462 1.00 0.00 C ATOM 1156 CD1 LEU A 79 1.903 -0.435 -0.903 1.00 0.00 C ATOM 1157 CD2 LEU A 79 2.533 -1.883 -2.889 1.00 0.00 C ATOM 0 H LEU A 79 5.817 -3.222 -1.213 1.00 0.00 H new ATOM 0 HA LEU A 79 4.894 -1.376 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.701 -1.105 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 79 4.307 0.140 -1.548 1.00 0.00 H new ATOM 0 HG LEU A 79 2.818 -2.350 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.890 -0.832 -0.967 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.146 -0.227 0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.969 0.486 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.507 -2.251 -2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.627 -1.026 -3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.210 -2.673 -3.215 1.00 0.00 H new ATOM 1169 N ASN A 80 7.004 -0.201 -3.441 1.00 0.00 N ATOM 1170 CA ASN A 80 8.284 0.477 -3.558 1.00 0.00 C ATOM 1171 C ASN A 80 8.172 1.877 -2.950 1.00 0.00 C ATOM 1172 O ASN A 80 7.539 2.760 -3.527 1.00 0.00 O ATOM 1173 CB ASN A 80 8.695 0.630 -5.023 1.00 0.00 C ATOM 1174 CG ASN A 80 10.130 0.146 -5.244 1.00 0.00 C ATOM 1175 OD1 ASN A 80 11.079 0.657 -4.673 1.00 0.00 O ATOM 1176 ND2 ASN A 80 10.234 -0.865 -6.102 1.00 0.00 N ATOM 0 H ASN A 80 6.388 -0.091 -4.246 1.00 0.00 H new ATOM 0 HA ASN A 80 9.031 -0.120 -3.035 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.014 0.062 -5.657 1.00 0.00 H new ATOM 0 HB3 ASN A 80 8.610 1.675 -5.321 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.150 -1.259 -6.317 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.398 -1.246 -6.545 1.00 0.00 H new ATOM 1183 N LEU A 81 8.797 2.037 -1.793 1.00 0.00 N ATOM 1184 CA LEU A 81 8.776 3.314 -1.100 1.00 0.00 C ATOM 1185 C LEU A 81 10.121 4.017 -1.294 1.00 0.00 C ATOM 1186 O LEU A 81 11.114 3.380 -1.643 1.00 0.00 O ATOM 1187 CB LEU A 81 8.388 3.122 0.367 1.00 0.00 C ATOM 1188 CG LEU A 81 7.225 2.164 0.634 1.00 0.00 C ATOM 1189 CD1 LEU A 81 6.647 2.381 2.034 1.00 0.00 C ATOM 1190 CD2 LEU A 81 6.155 2.285 -0.453 1.00 0.00 C ATOM 0 H LEU A 81 9.322 1.303 -1.318 1.00 0.00 H new ATOM 0 HA LEU A 81 8.012 3.965 -1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.262 2.761 0.909 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.134 4.096 0.785 1.00 0.00 H new ATOM 0 HG LEU A 81 7.607 1.144 0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.822 1.688 2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.423 2.205 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.284 3.405 2.123 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.340 1.594 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.770 3.305 -0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.592 2.043 -1.422 1.00 0.00 H new ATOM 1202 N SER A 82 10.111 5.321 -1.059 1.00 0.00 N ATOM 1203 CA SER A 82 11.318 6.117 -1.204 1.00 0.00 C ATOM 1204 C SER A 82 11.429 7.112 -0.047 1.00 0.00 C ATOM 1205 O SER A 82 10.450 7.372 0.650 1.00 0.00 O ATOM 1206 CB SER A 82 11.333 6.856 -2.543 1.00 0.00 C ATOM 1207 OG SER A 82 12.422 6.446 -3.366 1.00 0.00 O ATOM 0 H SER A 82 9.286 5.846 -0.769 1.00 0.00 H new ATOM 0 HA SER A 82 12.176 5.445 -1.182 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.394 6.676 -3.067 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.397 7.929 -2.364 1.00 0.00 H new ATOM 0 HG SER A 82 12.396 6.939 -4.213 1.00 0.00 H new ATOM 1213 N PRO A 83 12.664 7.656 0.126 1.00 0.00 N ATOM 1214 CA PRO A 83 12.916 8.617 1.186 1.00 0.00 C ATOM 1215 C PRO A 83 12.324 9.985 0.839 1.00 0.00 C ATOM 1216 O PRO A 83 12.311 10.382 -0.325 1.00 0.00 O ATOM 1217 CB PRO A 83 14.428 8.646 1.339 1.00 0.00 C ATOM 1218 CG PRO A 83 14.988 8.056 0.055 1.00 0.00 C ATOM 1219 CD PRO A 83 13.847 7.372 -0.681 1.00 0.00 C ATOM 0 HA PRO A 83 12.439 8.341 2.126 1.00 0.00 H new ATOM 0 HB2 PRO A 83 14.786 9.665 1.489 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.744 8.066 2.206 1.00 0.00 H new ATOM 0 HG2 PRO A 83 15.427 8.838 -0.564 1.00 0.00 H new ATOM 0 HG3 PRO A 83 15.781 7.342 0.277 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.739 7.761 -1.693 1.00 0.00 H new ATOM 0 HD3 PRO A 83 14.019 6.299 -0.769 1.00 0.00 H new ATOM 1227 N TYR A 84 11.848 10.667 1.870 1.00 0.00 N ATOM 1228 CA TYR A 84 11.256 11.981 1.689 1.00 0.00 C ATOM 1229 C TYR A 84 10.014 11.905 0.798 1.00 0.00 C ATOM 1230 O TYR A 84 10.052 12.314 -0.361 1.00 0.00 O ATOM 1231 CB TYR A 84 12.319 12.830 0.990 1.00 0.00 C ATOM 1232 CG TYR A 84 13.723 12.679 1.580 1.00 0.00 C ATOM 1233 CD1 TYR A 84 14.044 13.305 2.767 1.00 0.00 C ATOM 1234 CD2 TYR A 84 14.668 11.916 0.924 1.00 0.00 C ATOM 1235 CE1 TYR A 84 15.365 13.162 3.322 1.00 0.00 C ATOM 1236 CE2 TYR A 84 15.989 11.773 1.480 1.00 0.00 C ATOM 1237 CZ TYR A 84 16.272 12.404 2.651 1.00 0.00 C ATOM 1238 OH TYR A 84 17.520 12.269 3.175 1.00 0.00 O ATOM 0 H TYR A 84 11.860 10.334 2.834 1.00 0.00 H new ATOM 0 HA TYR A 84 10.951 12.400 2.648 1.00 0.00 H new ATOM 0 HB2 TYR A 84 12.349 12.560 -0.066 1.00 0.00 H new ATOM 0 HB3 TYR A 84 12.025 13.878 1.043 1.00 0.00 H new ATOM 0 HD1 TYR A 84 13.305 13.902 3.280 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.417 11.427 -0.005 1.00 0.00 H new ATOM 0 HE1 TYR A 84 15.629 13.646 4.251 1.00 0.00 H new ATOM 0 HE2 TYR A 84 16.738 11.178 0.978 1.00 0.00 H new ATOM 0 HH TYR A 84 18.061 11.699 2.589 1.00 0.00 H new ATOM 1248 N VAL A 85 8.943 11.378 1.374 1.00 0.00 N ATOM 1249 CA VAL A 85 7.693 11.243 0.646 1.00 0.00 C ATOM 1250 C VAL A 85 6.674 10.512 1.523 1.00 0.00 C ATOM 1251 O VAL A 85 6.842 9.330 1.821 1.00 0.00 O ATOM 1252 CB VAL A 85 7.939 10.546 -0.693 1.00 0.00 C ATOM 1253 CG1 VAL A 85 8.762 9.270 -0.504 1.00 0.00 C ATOM 1254 CG2 VAL A 85 6.619 10.247 -1.407 1.00 0.00 C ATOM 0 H VAL A 85 8.915 11.040 2.336 1.00 0.00 H new ATOM 0 HA VAL A 85 7.278 12.224 0.414 1.00 0.00 H new ATOM 0 HB VAL A 85 8.514 11.225 -1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.923 8.794 -1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.725 9.521 -0.059 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.226 8.585 0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.823 9.751 -2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.007 9.597 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.086 11.180 -1.592 1.00 0.00 H new ATOM 1264 N ASN A 86 5.641 11.244 1.910 1.00 0.00 N ATOM 1265 CA ASN A 86 4.595 10.679 2.746 1.00 0.00 C ATOM 1266 C ASN A 86 3.346 10.434 1.898 1.00 0.00 C ATOM 1267 O ASN A 86 2.928 11.304 1.135 1.00 0.00 O ATOM 1268 CB ASN A 86 4.217 11.637 3.878 1.00 0.00 C ATOM 1269 CG ASN A 86 4.021 10.882 5.194 1.00 0.00 C ATOM 1270 OD1 ASN A 86 4.574 11.226 6.225 1.00 0.00 O ATOM 1271 ND2 ASN A 86 3.205 9.836 5.100 1.00 0.00 N ATOM 0 H ASN A 86 5.505 12.224 1.660 1.00 0.00 H new ATOM 0 HA ASN A 86 4.970 9.748 3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 86 4.997 12.389 3.999 1.00 0.00 H new ATOM 0 HB3 ASN A 86 3.301 12.168 3.619 1.00 0.00 H new ATOM 0 HD21 ASN A 86 3.009 9.266 5.923 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.775 9.604 4.205 1.00 0.00 H new ATOM 1278 N TYR A 87 2.784 9.245 2.058 1.00 0.00 N ATOM 1279 CA TYR A 87 1.591 8.874 1.316 1.00 0.00 C ATOM 1280 C TYR A 87 0.931 7.635 1.923 1.00 0.00 C ATOM 1281 O TYR A 87 1.550 6.920 2.710 1.00 0.00 O ATOM 1282 CB TYR A 87 2.062 8.544 -0.102 1.00 0.00 C ATOM 1283 CG TYR A 87 3.349 7.718 -0.153 1.00 0.00 C ATOM 1284 CD1 TYR A 87 4.573 8.336 0.002 1.00 0.00 C ATOM 1285 CD2 TYR A 87 3.286 6.354 -0.355 1.00 0.00 C ATOM 1286 CE1 TYR A 87 5.784 7.558 -0.046 1.00 0.00 C ATOM 1287 CE2 TYR A 87 4.497 5.576 -0.404 1.00 0.00 C ATOM 1288 CZ TYR A 87 5.686 6.217 -0.247 1.00 0.00 C ATOM 1289 OH TYR A 87 6.830 5.482 -0.293 1.00 0.00 O ATOM 0 H TYR A 87 3.133 8.525 2.691 1.00 0.00 H new ATOM 0 HA TYR A 87 0.860 9.682 1.336 1.00 0.00 H new ATOM 0 HB2 TYR A 87 1.272 7.999 -0.619 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.218 9.474 -0.648 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.623 9.403 0.159 1.00 0.00 H new ATOM 0 HD2 TYR A 87 2.328 5.870 -0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.748 8.029 0.075 1.00 0.00 H new ATOM 0 HE2 TYR A 87 4.462 4.508 -0.562 1.00 0.00 H new ATOM 0 HH TYR A 87 7.567 5.999 0.094 1.00 0.00 H new ATOM 1299 N SER A 88 -0.317 7.418 1.534 1.00 0.00 N ATOM 1300 CA SER A 88 -1.068 6.277 2.031 1.00 0.00 C ATOM 1301 C SER A 88 -1.145 5.193 0.954 1.00 0.00 C ATOM 1302 O SER A 88 -0.579 5.346 -0.128 1.00 0.00 O ATOM 1303 CB SER A 88 -2.474 6.691 2.468 1.00 0.00 C ATOM 1304 OG SER A 88 -2.477 7.280 3.766 1.00 0.00 O ATOM 0 H SER A 88 -0.827 8.013 0.881 1.00 0.00 H new ATOM 0 HA SER A 88 -0.549 5.879 2.903 1.00 0.00 H new ATOM 0 HB2 SER A 88 -2.884 7.399 1.748 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.127 5.818 2.464 1.00 0.00 H new ATOM 0 HG SER A 88 -3.392 7.532 4.009 1.00 0.00 H new ATOM 1310 N PHE A 89 -1.850 4.122 1.287 1.00 0.00 N ATOM 1311 CA PHE A 89 -2.009 3.013 0.362 1.00 0.00 C ATOM 1312 C PHE A 89 -3.451 2.501 0.361 1.00 0.00 C ATOM 1313 O PHE A 89 -4.011 2.212 1.417 1.00 0.00 O ATOM 1314 CB PHE A 89 -1.084 1.893 0.843 1.00 0.00 C ATOM 1315 CG PHE A 89 0.399 2.273 0.854 1.00 0.00 C ATOM 1316 CD1 PHE A 89 0.969 2.823 -0.251 1.00 0.00 C ATOM 1317 CD2 PHE A 89 1.146 2.060 1.971 1.00 0.00 C ATOM 1318 CE1 PHE A 89 2.344 3.175 -0.240 1.00 0.00 C ATOM 1319 CE2 PHE A 89 2.522 2.412 1.981 1.00 0.00 C ATOM 1320 CZ PHE A 89 3.092 2.962 0.876 1.00 0.00 C ATOM 0 H PHE A 89 -2.318 3.999 2.185 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.766 3.336 -0.650 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.380 1.598 1.849 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.221 1.022 0.202 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.375 2.992 -1.137 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.693 1.624 2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.796 3.612 -1.118 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.116 2.243 2.867 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.138 3.230 0.884 1.00 0.00 H new ATOM 1330 N ARG A 90 -4.010 2.405 -0.837 1.00 0.00 N ATOM 1331 CA ARG A 90 -5.376 1.934 -0.989 1.00 0.00 C ATOM 1332 C ARG A 90 -5.412 0.691 -1.880 1.00 0.00 C ATOM 1333 O ARG A 90 -4.638 0.581 -2.830 1.00 0.00 O ATOM 1334 CB ARG A 90 -6.267 3.017 -1.600 1.00 0.00 C ATOM 1335 CG ARG A 90 -5.897 3.271 -3.063 1.00 0.00 C ATOM 1336 CD ARG A 90 -6.400 4.640 -3.526 1.00 0.00 C ATOM 1337 NE ARG A 90 -7.339 4.477 -4.658 1.00 0.00 N ATOM 1338 CZ ARG A 90 -8.226 5.407 -5.038 1.00 0.00 C ATOM 1339 NH1 ARG A 90 -8.301 6.571 -4.378 1.00 0.00 N ATOM 1340 NH2 ARG A 90 -9.038 5.173 -6.078 1.00 0.00 N ATOM 0 H ARG A 90 -3.542 2.645 -1.711 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.754 1.686 0.003 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.312 2.714 -1.533 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.166 3.941 -1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.815 3.218 -3.183 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.326 2.490 -3.691 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.896 5.152 -2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.558 5.263 -3.828 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.309 3.602 -5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.683 6.749 -3.586 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.976 7.279 -4.667 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.981 4.287 -6.580 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.713 5.881 -6.367 1.00 0.00 H new ATOM 1354 N VAL A 91 -6.319 -0.215 -1.542 1.00 0.00 N ATOM 1355 CA VAL A 91 -6.466 -1.446 -2.299 1.00 0.00 C ATOM 1356 C VAL A 91 -7.862 -1.492 -2.923 1.00 0.00 C ATOM 1357 O VAL A 91 -8.830 -1.028 -2.323 1.00 0.00 O ATOM 1358 CB VAL A 91 -6.172 -2.650 -1.403 1.00 0.00 C ATOM 1359 CG1 VAL A 91 -6.359 -3.962 -2.168 1.00 0.00 C ATOM 1360 CG2 VAL A 91 -4.766 -2.559 -0.806 1.00 0.00 C ATOM 0 H VAL A 91 -6.959 -0.120 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.744 -1.481 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.887 -2.637 -0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.144 -4.802 -1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.387 -4.033 -2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.679 -3.987 -3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.583 -3.427 -0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.030 -2.534 -1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.682 -1.651 -0.209 1.00 0.00 H new ATOM 1370 N MET A 92 -7.922 -2.056 -4.121 1.00 0.00 N ATOM 1371 CA MET A 92 -9.184 -2.168 -4.833 1.00 0.00 C ATOM 1372 C MET A 92 -9.403 -3.596 -5.337 1.00 0.00 C ATOM 1373 O MET A 92 -8.444 -4.337 -5.550 1.00 0.00 O ATOM 1374 CB MET A 92 -9.189 -1.201 -6.018 1.00 0.00 C ATOM 1375 CG MET A 92 -9.511 0.223 -5.562 1.00 0.00 C ATOM 1376 SD MET A 92 -8.132 0.899 -4.652 1.00 0.00 S ATOM 1377 CE MET A 92 -6.875 0.861 -5.920 1.00 0.00 C ATOM 0 H MET A 92 -7.117 -2.440 -4.616 1.00 0.00 H new ATOM 0 HA MET A 92 -9.992 -1.917 -4.146 1.00 0.00 H new ATOM 0 HB2 MET A 92 -8.216 -1.218 -6.510 1.00 0.00 H new ATOM 0 HB3 MET A 92 -9.924 -1.526 -6.754 1.00 0.00 H new ATOM 0 HG2 MET A 92 -9.729 0.850 -6.427 1.00 0.00 H new ATOM 0 HG3 MET A 92 -10.404 0.220 -4.937 1.00 0.00 H new ATOM 0 HE1 MET A 92 -6.082 1.565 -5.667 1.00 0.00 H new ATOM 0 HE2 MET A 92 -6.459 -0.144 -5.990 1.00 0.00 H new ATOM 0 HE3 MET A 92 -7.316 1.139 -6.877 1.00 0.00 H new ATOM 1387 N ALA A 93 -10.670 -3.939 -5.514 1.00 0.00 N ATOM 1388 CA ALA A 93 -11.027 -5.265 -5.990 1.00 0.00 C ATOM 1389 C ALA A 93 -11.861 -5.136 -7.266 1.00 0.00 C ATOM 1390 O ALA A 93 -12.708 -4.250 -7.373 1.00 0.00 O ATOM 1391 CB ALA A 93 -11.766 -6.022 -4.885 1.00 0.00 C ATOM 0 H ALA A 93 -11.462 -3.322 -5.336 1.00 0.00 H new ATOM 0 HA ALA A 93 -10.133 -5.838 -6.236 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -12.034 -7.017 -5.242 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -11.121 -6.112 -4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -12.671 -5.478 -4.614 1.00 0.00 H new ATOM 1397 N VAL A 94 -11.593 -6.034 -8.203 1.00 0.00 N ATOM 1398 CA VAL A 94 -12.308 -6.032 -9.468 1.00 0.00 C ATOM 1399 C VAL A 94 -12.723 -7.463 -9.816 1.00 0.00 C ATOM 1400 O VAL A 94 -11.921 -8.389 -9.711 1.00 0.00 O ATOM 1401 CB VAL A 94 -11.450 -5.378 -10.553 1.00 0.00 C ATOM 1402 CG1 VAL A 94 -12.310 -4.929 -11.736 1.00 0.00 C ATOM 1403 CG2 VAL A 94 -10.645 -4.208 -9.984 1.00 0.00 C ATOM 0 H VAL A 94 -10.891 -6.768 -8.111 1.00 0.00 H new ATOM 0 HA VAL A 94 -13.219 -5.438 -9.391 1.00 0.00 H new ATOM 0 HB VAL A 94 -10.744 -6.124 -10.917 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.675 -4.468 -12.493 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.817 -5.793 -12.166 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -13.051 -4.206 -11.394 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -10.044 -3.761 -10.776 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -11.327 -3.460 -9.580 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.990 -4.569 -9.191 1.00 0.00 H new ATOM 1413 N ASN A 95 -13.977 -7.598 -10.224 1.00 0.00 N ATOM 1414 CA ASN A 95 -14.508 -8.901 -10.588 1.00 0.00 C ATOM 1415 C ASN A 95 -15.229 -8.794 -11.934 1.00 0.00 C ATOM 1416 O ASN A 95 -15.132 -7.775 -12.615 1.00 0.00 O ATOM 1417 CB ASN A 95 -15.517 -9.394 -9.549 1.00 0.00 C ATOM 1418 CG ASN A 95 -16.699 -8.429 -9.431 1.00 0.00 C ATOM 1419 OD1 ASN A 95 -16.884 -7.532 -10.237 1.00 0.00 O ATOM 1420 ND2 ASN A 95 -17.485 -8.663 -8.385 1.00 0.00 N ATOM 0 H ASN A 95 -14.640 -6.827 -10.310 1.00 0.00 H new ATOM 0 HA ASN A 95 -13.675 -9.602 -10.643 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -15.878 -10.384 -9.828 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -15.027 -9.495 -8.580 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -18.301 -8.074 -8.218 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -17.272 -9.431 -7.749 1.00 0.00 H new ATOM 1427 N SER A 96 -15.937 -9.861 -12.276 1.00 0.00 N ATOM 1428 CA SER A 96 -16.674 -9.900 -13.527 1.00 0.00 C ATOM 1429 C SER A 96 -17.533 -8.643 -13.668 1.00 0.00 C ATOM 1430 O SER A 96 -17.675 -8.103 -14.764 1.00 0.00 O ATOM 1431 CB SER A 96 -17.548 -11.153 -13.612 1.00 0.00 C ATOM 1432 OG SER A 96 -18.390 -11.140 -14.762 1.00 0.00 O ATOM 0 H SER A 96 -16.016 -10.705 -11.708 1.00 0.00 H new ATOM 0 HA SER A 96 -15.956 -9.934 -14.346 1.00 0.00 H new ATOM 0 HB2 SER A 96 -16.912 -12.038 -13.639 1.00 0.00 H new ATOM 0 HB3 SER A 96 -18.162 -11.229 -12.714 1.00 0.00 H new ATOM 0 HG SER A 96 -18.931 -11.957 -14.781 1.00 0.00 H new ATOM 1438 N ILE A 97 -18.085 -8.213 -12.543 1.00 0.00 N ATOM 1439 CA ILE A 97 -18.927 -7.028 -12.527 1.00 0.00 C ATOM 1440 C ILE A 97 -18.091 -5.808 -12.918 1.00 0.00 C ATOM 1441 O ILE A 97 -18.100 -5.390 -14.075 1.00 0.00 O ATOM 1442 CB ILE A 97 -19.627 -6.886 -11.174 1.00 0.00 C ATOM 1443 CG1 ILE A 97 -20.373 -8.170 -10.805 1.00 0.00 C ATOM 1444 CG2 ILE A 97 -20.546 -5.664 -11.158 1.00 0.00 C ATOM 1445 CD1 ILE A 97 -21.720 -8.247 -11.526 1.00 0.00 C ATOM 0 H ILE A 97 -17.966 -8.664 -11.636 1.00 0.00 H new ATOM 0 HA ILE A 97 -19.725 -7.118 -13.264 1.00 0.00 H new ATOM 0 HB ILE A 97 -18.866 -6.726 -10.411 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -19.766 -9.036 -11.068 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -20.531 -8.206 -9.727 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -21.031 -5.586 -10.185 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -19.959 -4.765 -11.343 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -21.304 -5.769 -11.934 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -22.230 -9.169 -11.247 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -22.334 -7.392 -11.242 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -21.557 -8.235 -12.604 1.00 0.00 H new ATOM 1457 N GLY A 98 -17.388 -5.272 -11.932 1.00 0.00 N ATOM 1458 CA GLY A 98 -16.548 -4.108 -12.159 1.00 0.00 C ATOM 1459 C GLY A 98 -15.570 -3.903 -11.000 1.00 0.00 C ATOM 1460 O GLY A 98 -15.289 -4.836 -10.248 1.00 0.00 O ATOM 0 H GLY A 98 -17.382 -5.622 -10.974 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -15.994 -4.231 -13.090 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.172 -3.222 -12.274 1.00 0.00 H new ATOM 1464 N LYS A 99 -15.078 -2.678 -10.892 1.00 0.00 N ATOM 1465 CA LYS A 99 -14.138 -2.339 -9.837 1.00 0.00 C ATOM 1466 C LYS A 99 -14.892 -1.691 -8.675 1.00 0.00 C ATOM 1467 O LYS A 99 -15.843 -0.940 -8.889 1.00 0.00 O ATOM 1468 CB LYS A 99 -13.001 -1.477 -10.390 1.00 0.00 C ATOM 1469 CG LYS A 99 -11.984 -1.143 -9.296 1.00 0.00 C ATOM 1470 CD LYS A 99 -10.606 -0.860 -9.897 1.00 0.00 C ATOM 1471 CE LYS A 99 -10.462 0.618 -10.266 1.00 0.00 C ATOM 1472 NZ LYS A 99 -10.376 1.451 -9.045 1.00 0.00 N ATOM 0 H LYS A 99 -15.313 -1.908 -11.518 1.00 0.00 H new ATOM 0 HA LYS A 99 -13.664 -3.239 -9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -12.504 -2.003 -11.205 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -13.408 -0.556 -10.807 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.324 -0.275 -8.731 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.915 -1.973 -8.593 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.830 -1.138 -9.184 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.459 -1.476 -10.784 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -9.569 0.762 -10.875 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.314 0.933 -10.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -10.896 2.339 -9.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -10.793 0.936 -8.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.379 1.663 -8.839 1.00 0.00 H new ATOM 1486 N SER A 100 -14.441 -2.005 -7.470 1.00 0.00 N ATOM 1487 CA SER A 100 -15.062 -1.463 -6.273 1.00 0.00 C ATOM 1488 C SER A 100 -14.291 -0.230 -5.796 1.00 0.00 C ATOM 1489 O SER A 100 -13.164 0.007 -6.228 1.00 0.00 O ATOM 1490 CB SER A 100 -15.125 -2.512 -5.162 1.00 0.00 C ATOM 1491 OG SER A 100 -13.830 -2.854 -4.676 1.00 0.00 O ATOM 0 H SER A 100 -13.652 -2.628 -7.296 1.00 0.00 H new ATOM 0 HA SER A 100 -16.083 -1.172 -6.519 1.00 0.00 H new ATOM 0 HB2 SER A 100 -15.732 -2.133 -4.340 1.00 0.00 H new ATOM 0 HB3 SER A 100 -15.620 -3.408 -5.537 1.00 0.00 H new ATOM 0 HG SER A 100 -13.877 -3.702 -4.188 1.00 0.00 H new ATOM 1497 N LEU A 101 -14.930 0.523 -4.913 1.00 0.00 N ATOM 1498 CA LEU A 101 -14.318 1.725 -4.372 1.00 0.00 C ATOM 1499 C LEU A 101 -12.948 1.376 -3.787 1.00 0.00 C ATOM 1500 O LEU A 101 -12.652 0.207 -3.544 1.00 0.00 O ATOM 1501 CB LEU A 101 -15.258 2.402 -3.374 1.00 0.00 C ATOM 1502 CG LEU A 101 -16.340 3.302 -3.976 1.00 0.00 C ATOM 1503 CD1 LEU A 101 -17.421 3.625 -2.943 1.00 0.00 C ATOM 1504 CD2 LEU A 101 -15.728 4.567 -4.580 1.00 0.00 C ATOM 0 H LEU A 101 -15.866 0.324 -4.559 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.150 2.456 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -15.746 1.628 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -14.658 2.999 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 101 -16.823 2.759 -4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -18.177 4.266 -3.396 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -17.886 2.700 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -16.971 4.140 -2.094 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -16.518 5.189 -5.001 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -15.203 5.124 -3.804 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -15.026 4.292 -5.367 1.00 0.00 H new ATOM 1516 N PRO A 102 -12.127 2.439 -3.573 1.00 0.00 N ATOM 1517 CA PRO A 102 -10.795 2.257 -3.021 1.00 0.00 C ATOM 1518 C PRO A 102 -10.859 1.959 -1.521 1.00 0.00 C ATOM 1519 O PRO A 102 -11.600 2.611 -0.787 1.00 0.00 O ATOM 1520 CB PRO A 102 -10.057 3.547 -3.340 1.00 0.00 C ATOM 1521 CG PRO A 102 -11.132 4.578 -3.643 1.00 0.00 C ATOM 1522 CD PRO A 102 -12.444 3.837 -3.849 1.00 0.00 C ATOM 0 HA PRO A 102 -10.275 1.400 -3.450 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.440 3.862 -2.499 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.391 3.415 -4.193 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -11.220 5.290 -2.822 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -10.872 5.150 -4.534 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -13.218 4.208 -3.177 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -12.816 3.966 -4.865 1.00 0.00 H new ATOM 1530 N SER A 103 -10.073 0.974 -1.112 1.00 0.00 N ATOM 1531 CA SER A 103 -10.031 0.583 0.287 1.00 0.00 C ATOM 1532 C SER A 103 -9.982 1.826 1.177 1.00 0.00 C ATOM 1533 O SER A 103 -9.601 2.904 0.723 1.00 0.00 O ATOM 1534 CB SER A 103 -8.830 -0.321 0.570 1.00 0.00 C ATOM 1535 OG SER A 103 -7.597 0.390 0.495 1.00 0.00 O ATOM 0 H SER A 103 -9.461 0.435 -1.724 1.00 0.00 H new ATOM 0 HA SER A 103 -10.936 0.019 0.512 1.00 0.00 H new ATOM 0 HB2 SER A 103 -8.934 -0.762 1.561 1.00 0.00 H new ATOM 0 HB3 SER A 103 -8.819 -1.143 -0.146 1.00 0.00 H new ATOM 0 HG SER A 103 -7.493 0.949 1.293 1.00 0.00 H new ATOM 1541 N GLU A 104 -10.371 1.634 2.429 1.00 0.00 N ATOM 1542 CA GLU A 104 -10.376 2.727 3.387 1.00 0.00 C ATOM 1543 C GLU A 104 -9.163 3.633 3.164 1.00 0.00 C ATOM 1544 O GLU A 104 -9.283 4.699 2.561 1.00 0.00 O ATOM 1545 CB GLU A 104 -10.408 2.197 4.822 1.00 0.00 C ATOM 1546 CG GLU A 104 -11.632 1.308 5.051 1.00 0.00 C ATOM 1547 CD GLU A 104 -11.851 1.050 6.543 1.00 0.00 C ATOM 1548 OE1 GLU A 104 -11.819 2.043 7.301 1.00 0.00 O ATOM 1549 OE2 GLU A 104 -12.045 -0.135 6.892 1.00 0.00 O ATOM 0 H GLU A 104 -10.685 0.738 2.802 1.00 0.00 H new ATOM 0 HA GLU A 104 -11.279 3.317 3.232 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.499 1.630 5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.425 3.033 5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.516 1.784 4.627 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.500 0.360 4.530 1.00 0.00 H new ATOM 1556 N ALA A 105 -8.024 3.177 3.663 1.00 0.00 N ATOM 1557 CA ALA A 105 -6.791 3.933 3.526 1.00 0.00 C ATOM 1558 C ALA A 105 -5.795 3.474 4.592 1.00 0.00 C ATOM 1559 O ALA A 105 -5.765 4.020 5.694 1.00 0.00 O ATOM 1560 CB ALA A 105 -7.096 5.430 3.619 1.00 0.00 C ATOM 0 H ALA A 105 -7.929 2.293 4.163 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.337 3.753 2.551 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.171 5.997 3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.784 5.711 2.822 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -7.550 5.649 4.585 1.00 0.00 H new ATOM 1566 N SER A 106 -5.003 2.476 4.227 1.00 0.00 N ATOM 1567 CA SER A 106 -4.009 1.938 5.139 1.00 0.00 C ATOM 1568 C SER A 106 -3.277 3.079 5.849 1.00 0.00 C ATOM 1569 O SER A 106 -3.351 4.229 5.420 1.00 0.00 O ATOM 1570 CB SER A 106 -3.010 1.045 4.400 1.00 0.00 C ATOM 1571 OG SER A 106 -1.824 1.751 4.045 1.00 0.00 O ATOM 0 H SER A 106 -5.030 2.026 3.312 1.00 0.00 H new ATOM 0 HA SER A 106 -4.522 1.327 5.882 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.750 0.193 5.029 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.477 0.646 3.500 1.00 0.00 H new ATOM 0 HG SER A 106 -1.169 1.676 4.770 1.00 0.00 H new ATOM 1577 N GLU A 107 -2.588 2.720 6.922 1.00 0.00 N ATOM 1578 CA GLU A 107 -1.843 3.700 7.695 1.00 0.00 C ATOM 1579 C GLU A 107 -0.889 4.478 6.787 1.00 0.00 C ATOM 1580 O GLU A 107 -0.503 3.992 5.725 1.00 0.00 O ATOM 1581 CB GLU A 107 -1.085 3.031 8.843 1.00 0.00 C ATOM 1582 CG GLU A 107 -0.412 1.738 8.376 1.00 0.00 C ATOM 1583 CD GLU A 107 1.100 1.795 8.603 1.00 0.00 C ATOM 1584 OE1 GLU A 107 1.786 2.349 7.717 1.00 0.00 O ATOM 1585 OE2 GLU A 107 1.536 1.284 9.657 1.00 0.00 O ATOM 0 H GLU A 107 -2.530 1.765 7.275 1.00 0.00 H new ATOM 0 HA GLU A 107 -2.551 4.404 8.133 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -0.333 3.716 9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -1.773 2.813 9.660 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.833 0.889 8.915 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.619 1.578 7.318 1.00 0.00 H new ATOM 1592 N GLN A 108 -0.535 5.672 7.239 1.00 0.00 N ATOM 1593 CA GLN A 108 0.367 6.522 6.481 1.00 0.00 C ATOM 1594 C GLN A 108 1.815 6.070 6.680 1.00 0.00 C ATOM 1595 O GLN A 108 2.459 6.450 7.657 1.00 0.00 O ATOM 1596 CB GLN A 108 0.193 7.991 6.870 1.00 0.00 C ATOM 1597 CG GLN A 108 -0.729 8.714 5.885 1.00 0.00 C ATOM 1598 CD GLN A 108 -0.427 10.214 5.852 1.00 0.00 C ATOM 1599 OE1 GLN A 108 -0.931 10.992 6.646 1.00 0.00 O ATOM 1600 NE2 GLN A 108 0.419 10.574 4.892 1.00 0.00 N ATOM 0 H GLN A 108 -0.857 6.071 8.121 1.00 0.00 H new ATOM 0 HA GLN A 108 0.120 6.429 5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 108 -0.220 8.058 7.876 1.00 0.00 H new ATOM 0 HB3 GLN A 108 1.165 8.483 6.891 1.00 0.00 H new ATOM 0 HG2 GLN A 108 -0.604 8.292 4.888 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -1.769 8.555 6.171 1.00 0.00 H new ATOM 0 HE21 GLN A 108 0.804 9.871 4.261 1.00 0.00 H new ATOM 0 HE22 GLN A 108 0.683 11.553 4.786 1.00 0.00 H new ATOM 1609 N TYR A 109 2.285 5.265 5.739 1.00 0.00 N ATOM 1610 CA TYR A 109 3.646 4.758 5.799 1.00 0.00 C ATOM 1611 C TYR A 109 4.645 5.807 5.307 1.00 0.00 C ATOM 1612 O TYR A 109 4.459 6.396 4.243 1.00 0.00 O ATOM 1613 CB TYR A 109 3.687 3.552 4.858 1.00 0.00 C ATOM 1614 CG TYR A 109 4.985 2.746 4.937 1.00 0.00 C ATOM 1615 CD1 TYR A 109 6.191 3.349 4.643 1.00 0.00 C ATOM 1616 CD2 TYR A 109 4.951 1.415 5.302 1.00 0.00 C ATOM 1617 CE1 TYR A 109 7.413 2.591 4.717 1.00 0.00 C ATOM 1618 CE2 TYR A 109 6.172 0.657 5.376 1.00 0.00 C ATOM 1619 CZ TYR A 109 7.343 1.282 5.080 1.00 0.00 C ATOM 1620 OH TYR A 109 8.497 0.566 5.150 1.00 0.00 O ATOM 0 H TYR A 109 1.748 4.951 4.931 1.00 0.00 H new ATOM 0 HA TYR A 109 3.915 4.500 6.823 1.00 0.00 H new ATOM 0 HB2 TYR A 109 2.849 2.895 5.089 1.00 0.00 H new ATOM 0 HB3 TYR A 109 3.548 3.898 3.834 1.00 0.00 H new ATOM 0 HD1 TYR A 109 6.218 4.390 4.357 1.00 0.00 H new ATOM 0 HD2 TYR A 109 4.008 0.942 5.532 1.00 0.00 H new ATOM 0 HE1 TYR A 109 8.363 3.051 4.490 1.00 0.00 H new ATOM 0 HE2 TYR A 109 6.159 -0.385 5.660 1.00 0.00 H new ATOM 0 HH TYR A 109 8.295 -0.353 5.423 1.00 0.00 H new ATOM 1630 N LEU A 110 5.682 6.010 6.106 1.00 0.00 N ATOM 1631 CA LEU A 110 6.711 6.978 5.766 1.00 0.00 C ATOM 1632 C LEU A 110 8.089 6.340 5.958 1.00 0.00 C ATOM 1633 O LEU A 110 8.336 5.681 6.967 1.00 0.00 O ATOM 1634 CB LEU A 110 6.515 8.270 6.561 1.00 0.00 C ATOM 1635 CG LEU A 110 7.666 9.276 6.501 1.00 0.00 C ATOM 1636 CD1 LEU A 110 7.955 9.693 5.058 1.00 0.00 C ATOM 1637 CD2 LEU A 110 7.388 10.481 7.401 1.00 0.00 C ATOM 0 H LEU A 110 5.832 5.520 6.988 1.00 0.00 H new ATOM 0 HA LEU A 110 6.635 7.262 4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.611 8.761 6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.342 8.008 7.605 1.00 0.00 H new ATOM 0 HG LEU A 110 8.564 8.790 6.882 1.00 0.00 H new ATOM 0 HD11 LEU A 110 8.777 10.408 5.044 1.00 0.00 H new ATOM 0 HD12 LEU A 110 8.228 8.815 4.473 1.00 0.00 H new ATOM 0 HD13 LEU A 110 7.066 10.154 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 110 8.222 11.181 7.340 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.474 10.976 7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.270 10.146 8.432 1.00 0.00 H new ATOM 1649 N THR A 111 8.949 6.560 4.975 1.00 0.00 N ATOM 1650 CA THR A 111 10.295 6.015 5.023 1.00 0.00 C ATOM 1651 C THR A 111 11.230 6.969 5.770 1.00 0.00 C ATOM 1652 O THR A 111 10.838 8.081 6.120 1.00 0.00 O ATOM 1653 CB THR A 111 10.741 5.728 3.588 1.00 0.00 C ATOM 1654 OG1 THR A 111 10.917 7.020 3.014 1.00 0.00 O ATOM 1655 CG2 THR A 111 9.632 5.094 2.746 1.00 0.00 C ATOM 0 H THR A 111 8.740 7.108 4.141 1.00 0.00 H new ATOM 0 HA THR A 111 10.323 5.079 5.581 1.00 0.00 H new ATOM 0 HB THR A 111 11.608 5.068 3.603 1.00 0.00 H new ATOM 0 HG1 THR A 111 10.286 7.138 2.273 1.00 0.00 H new ATOM 0 HG21 THR A 111 10.001 4.911 1.737 1.00 0.00 H new ATOM 0 HG22 THR A 111 9.327 4.150 3.198 1.00 0.00 H new ATOM 0 HG23 THR A 111 8.777 5.769 2.703 1.00 0.00 H new ATOM 1663 N LYS A 112 12.448 6.498 5.993 1.00 0.00 N ATOM 1664 CA LYS A 112 13.442 7.295 6.692 1.00 0.00 C ATOM 1665 C LYS A 112 14.002 8.354 5.740 1.00 0.00 C ATOM 1666 O LYS A 112 14.425 8.034 4.631 1.00 0.00 O ATOM 1667 CB LYS A 112 14.513 6.395 7.310 1.00 0.00 C ATOM 1668 CG LYS A 112 13.881 5.308 8.182 1.00 0.00 C ATOM 1669 CD LYS A 112 13.362 5.894 9.497 1.00 0.00 C ATOM 1670 CE LYS A 112 13.895 5.106 10.696 1.00 0.00 C ATOM 1671 NZ LYS A 112 12.816 4.298 11.306 1.00 0.00 N ATOM 0 H LYS A 112 12.769 5.575 5.702 1.00 0.00 H new ATOM 0 HA LYS A 112 12.985 7.826 7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.105 5.933 6.520 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.196 6.996 7.910 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.061 4.834 7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 112 14.616 4.531 8.391 1.00 0.00 H new ATOM 0 HD2 LYS A 112 13.665 6.938 9.579 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.272 5.878 9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 112 14.709 4.455 10.378 1.00 0.00 H new ATOM 0 HE3 LYS A 112 14.306 5.792 11.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 13.195 3.770 12.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.052 4.926 11.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.442 3.630 10.602 1.00 0.00 H new ATOM 1685 N ALA A 113 13.987 9.593 6.210 1.00 0.00 N ATOM 1686 CA ALA A 113 14.489 10.700 5.414 1.00 0.00 C ATOM 1687 C ALA A 113 15.148 11.728 6.336 1.00 0.00 C ATOM 1688 O ALA A 113 14.637 12.835 6.503 1.00 0.00 O ATOM 1689 CB ALA A 113 13.344 11.301 4.595 1.00 0.00 C ATOM 0 H ALA A 113 13.635 9.854 7.131 1.00 0.00 H new ATOM 0 HA ALA A 113 15.247 10.354 4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 113 13.721 12.131 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 113 12.929 10.539 3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 113 12.566 11.661 5.268 1.00 0.00 H new ATOM 1695 N SER A 114 16.272 11.326 6.910 1.00 0.00 N ATOM 1696 CA SER A 114 17.006 12.198 7.811 1.00 0.00 C ATOM 1697 C SER A 114 16.122 12.588 8.998 1.00 0.00 C ATOM 1698 O SER A 114 16.173 13.724 9.468 1.00 0.00 O ATOM 1699 CB SER A 114 17.501 13.450 7.084 1.00 0.00 C ATOM 1700 OG SER A 114 18.837 13.785 7.449 1.00 0.00 O ATOM 0 H SER A 114 16.693 10.408 6.769 1.00 0.00 H new ATOM 0 HA SER A 114 17.877 11.655 8.178 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.449 13.289 6.007 1.00 0.00 H new ATOM 0 HB3 SER A 114 16.842 14.287 7.313 1.00 0.00 H new ATOM 0 HG SER A 114 19.117 14.588 6.963 1.00 0.00 H new ATOM 1706 N GLU A 115 15.331 11.625 9.448 1.00 0.00 N ATOM 1707 CA GLU A 115 14.438 11.853 10.570 1.00 0.00 C ATOM 1708 C GLU A 115 13.825 10.532 11.038 1.00 0.00 C ATOM 1709 O GLU A 115 13.335 9.748 10.226 1.00 0.00 O ATOM 1710 CB GLU A 115 13.348 12.864 10.207 1.00 0.00 C ATOM 1711 CG GLU A 115 12.143 12.731 11.139 1.00 0.00 C ATOM 1712 CD GLU A 115 11.110 13.824 10.860 1.00 0.00 C ATOM 1713 OE1 GLU A 115 11.427 14.995 11.161 1.00 0.00 O ATOM 1714 OE2 GLU A 115 10.026 13.465 10.351 1.00 0.00 O ATOM 0 H GLU A 115 15.290 10.685 9.055 1.00 0.00 H new ATOM 0 HA GLU A 115 15.019 12.273 11.391 1.00 0.00 H new ATOM 0 HB2 GLU A 115 13.750 13.875 10.269 1.00 0.00 H new ATOM 0 HB3 GLU A 115 13.033 12.709 9.175 1.00 0.00 H new ATOM 0 HG2 GLU A 115 11.685 11.751 11.009 1.00 0.00 H new ATOM 0 HG3 GLU A 115 12.472 12.793 12.176 1.00 0.00 H new ATOM 1721 N PRO A 116 13.873 10.319 12.381 1.00 0.00 N ATOM 1722 CA PRO A 116 13.329 9.106 12.967 1.00 0.00 C ATOM 1723 C PRO A 116 11.800 9.149 12.994 1.00 0.00 C ATOM 1724 O PRO A 116 11.185 9.950 12.291 1.00 0.00 O ATOM 1725 CB PRO A 116 13.946 9.028 14.354 1.00 0.00 C ATOM 1726 CG PRO A 116 14.444 10.430 14.668 1.00 0.00 C ATOM 1727 CD PRO A 116 14.446 11.225 13.373 1.00 0.00 C ATOM 0 HA PRO A 116 13.570 8.214 12.388 1.00 0.00 H new ATOM 0 HB2 PRO A 116 13.212 8.700 15.090 1.00 0.00 H new ATOM 0 HB3 PRO A 116 14.764 8.308 14.378 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.801 10.907 15.408 1.00 0.00 H new ATOM 0 HG3 PRO A 116 15.446 10.392 15.094 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.854 12.136 13.466 1.00 0.00 H new ATOM 0 HD3 PRO A 116 15.456 11.528 13.096 1.00 0.00 H new ATOM 1735 N ASP A 117 11.230 8.277 13.813 1.00 0.00 N ATOM 1736 CA ASP A 117 9.784 8.205 13.941 1.00 0.00 C ATOM 1737 C ASP A 117 9.192 7.618 12.658 1.00 0.00 C ATOM 1738 O ASP A 117 9.905 7.416 11.676 1.00 0.00 O ATOM 1739 CB ASP A 117 9.180 9.595 14.147 1.00 0.00 C ATOM 1740 CG ASP A 117 7.919 9.630 15.013 1.00 0.00 C ATOM 1741 OD1 ASP A 117 8.056 9.363 16.227 1.00 0.00 O ATOM 1742 OD2 ASP A 117 6.846 9.922 14.442 1.00 0.00 O ATOM 0 H ASP A 117 11.743 7.614 14.394 1.00 0.00 H new ATOM 0 HA ASP A 117 9.552 7.579 14.803 1.00 0.00 H new ATOM 0 HB2 ASP A 117 9.933 10.238 14.602 1.00 0.00 H new ATOM 0 HB3 ASP A 117 8.945 10.021 13.172 1.00 0.00 H new ATOM 1747 N LYS A 118 7.893 7.359 12.709 1.00 0.00 N ATOM 1748 CA LYS A 118 7.197 6.799 11.563 1.00 0.00 C ATOM 1749 C LYS A 118 5.996 7.683 11.219 1.00 0.00 C ATOM 1750 O LYS A 118 4.879 7.419 11.661 1.00 0.00 O ATOM 1751 CB LYS A 118 6.829 5.337 11.822 1.00 0.00 C ATOM 1752 CG LYS A 118 7.930 4.398 11.325 1.00 0.00 C ATOM 1753 CD LYS A 118 8.694 3.780 12.498 1.00 0.00 C ATOM 1754 CE LYS A 118 7.974 2.538 13.028 1.00 0.00 C ATOM 1755 NZ LYS A 118 8.948 1.570 13.580 1.00 0.00 N ATOM 0 H LYS A 118 7.305 7.527 13.525 1.00 0.00 H new ATOM 0 HA LYS A 118 7.848 6.790 10.689 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.668 5.182 12.889 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.891 5.100 11.321 1.00 0.00 H new ATOM 0 HG2 LYS A 118 7.491 3.608 10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 118 8.621 4.948 10.686 1.00 0.00 H new ATOM 0 HD2 LYS A 118 9.702 3.513 12.180 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.796 4.514 13.297 1.00 0.00 H new ATOM 0 HE2 LYS A 118 7.261 2.826 13.800 1.00 0.00 H new ATOM 0 HE3 LYS A 118 7.403 2.071 12.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 8.443 0.733 13.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 9.612 1.282 12.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 9.474 2.013 14.360 1.00 0.00 H new ATOM 1769 N ASN A 119 6.268 8.715 10.434 1.00 0.00 N ATOM 1770 CA ASN A 119 5.224 9.640 10.025 1.00 0.00 C ATOM 1771 C ASN A 119 4.598 10.277 11.268 1.00 0.00 C ATOM 1772 O ASN A 119 3.769 9.660 11.935 1.00 0.00 O ATOM 1773 CB ASN A 119 4.117 8.916 9.256 1.00 0.00 C ATOM 1774 CG ASN A 119 2.881 9.806 9.108 1.00 0.00 C ATOM 1775 OD1 ASN A 119 1.922 9.710 9.855 1.00 0.00 O ATOM 1776 ND2 ASN A 119 2.957 10.674 8.103 1.00 0.00 N ATOM 0 H ASN A 119 7.196 8.931 10.070 1.00 0.00 H new ATOM 0 HA ASN A 119 5.675 10.395 9.381 1.00 0.00 H new ATOM 0 HB2 ASN A 119 4.482 8.628 8.270 1.00 0.00 H new ATOM 0 HB3 ASN A 119 3.848 7.997 9.777 1.00 0.00 H new ATOM 0 HD21 ASN A 119 2.182 11.312 7.920 1.00 0.00 H new ATOM 0 HD22 ASN A 119 3.790 10.702 7.515 1.00 0.00 H new ATOM 1783 N PRO A 120 5.030 11.535 11.548 1.00 0.00 N ATOM 1784 CA PRO A 120 4.521 12.262 12.699 1.00 0.00 C ATOM 1785 C PRO A 120 3.100 12.770 12.442 1.00 0.00 C ATOM 1786 O PRO A 120 2.198 12.532 13.244 1.00 0.00 O ATOM 1787 CB PRO A 120 5.520 13.385 12.928 1.00 0.00 C ATOM 1788 CG PRO A 120 6.293 13.527 11.627 1.00 0.00 C ATOM 1789 CD PRO A 120 6.010 12.297 10.780 1.00 0.00 C ATOM 0 HA PRO A 120 4.434 11.636 13.587 1.00 0.00 H new ATOM 0 HB2 PRO A 120 5.011 14.314 13.183 1.00 0.00 H new ATOM 0 HB3 PRO A 120 6.189 13.150 13.756 1.00 0.00 H new ATOM 0 HG2 PRO A 120 5.990 14.432 11.100 1.00 0.00 H new ATOM 0 HG3 PRO A 120 7.361 13.616 11.825 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.618 12.572 9.801 1.00 0.00 H new ATOM 0 HD3 PRO A 120 6.917 11.717 10.609 1.00 0.00 H new ATOM 1797 N THR A 121 2.946 13.459 11.321 1.00 0.00 N ATOM 1798 CA THR A 121 1.650 14.002 10.949 1.00 0.00 C ATOM 1799 C THR A 121 0.764 12.905 10.355 1.00 0.00 C ATOM 1800 O THR A 121 0.748 12.704 9.141 1.00 0.00 O ATOM 1801 CB THR A 121 1.885 15.176 9.997 1.00 0.00 C ATOM 1802 OG1 THR A 121 2.648 14.613 8.933 1.00 0.00 O ATOM 1803 CG2 THR A 121 2.808 16.239 10.595 1.00 0.00 C ATOM 0 H THR A 121 3.697 13.654 10.658 1.00 0.00 H new ATOM 0 HA THR A 121 1.112 14.375 11.820 1.00 0.00 H new ATOM 0 HB THR A 121 0.928 15.630 9.738 1.00 0.00 H new ATOM 0 HG1 THR A 121 2.226 13.781 8.632 1.00 0.00 H new ATOM 0 HG21 THR A 121 2.942 17.050 9.879 1.00 0.00 H new ATOM 0 HG22 THR A 121 2.365 16.633 11.510 1.00 0.00 H new ATOM 0 HG23 THR A 121 3.776 15.793 10.823 1.00 0.00 H new ATOM 1811 N SER A 122 0.046 12.226 11.237 1.00 0.00 N ATOM 1812 CA SER A 122 -0.841 11.155 10.815 1.00 0.00 C ATOM 1813 C SER A 122 -2.237 11.714 10.531 1.00 0.00 C ATOM 1814 O SER A 122 -2.890 12.247 11.426 1.00 0.00 O ATOM 1815 CB SER A 122 -0.916 10.053 11.874 1.00 0.00 C ATOM 1816 OG SER A 122 0.233 9.210 11.849 1.00 0.00 O ATOM 0 H SER A 122 0.060 12.397 12.243 1.00 0.00 H new ATOM 0 HA SER A 122 -0.439 10.717 9.902 1.00 0.00 H new ATOM 0 HB2 SER A 122 -1.013 10.505 12.861 1.00 0.00 H new ATOM 0 HB3 SER A 122 -1.810 9.452 11.709 1.00 0.00 H new ATOM 0 HG SER A 122 0.802 9.455 11.089 1.00 0.00 H new ATOM 1822 N GLY A 123 -2.652 11.572 9.281 1.00 0.00 N ATOM 1823 CA GLY A 123 -3.959 12.055 8.868 1.00 0.00 C ATOM 1824 C GLY A 123 -5.049 11.579 9.829 1.00 0.00 C ATOM 1825 O GLY A 123 -4.867 10.593 10.541 1.00 0.00 O ATOM 0 H GLY A 123 -2.107 11.130 8.541 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.953 13.144 8.831 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.179 11.703 7.860 1.00 0.00 H new ATOM 1829 N PRO A 124 -6.189 12.321 9.818 1.00 0.00 N ATOM 1830 CA PRO A 124 -7.309 11.984 10.681 1.00 0.00 C ATOM 1831 C PRO A 124 -8.060 10.761 10.152 1.00 0.00 C ATOM 1832 O PRO A 124 -8.545 10.766 9.021 1.00 0.00 O ATOM 1833 CB PRO A 124 -8.168 13.238 10.717 1.00 0.00 C ATOM 1834 CG PRO A 124 -7.748 14.067 9.514 1.00 0.00 C ATOM 1835 CD PRO A 124 -6.441 13.496 8.989 1.00 0.00 C ATOM 0 HA PRO A 124 -6.996 11.702 11.686 1.00 0.00 H new ATOM 0 HB2 PRO A 124 -9.228 12.987 10.667 1.00 0.00 H new ATOM 0 HB3 PRO A 124 -8.014 13.790 11.644 1.00 0.00 H new ATOM 0 HG2 PRO A 124 -8.516 14.035 8.741 1.00 0.00 H new ATOM 0 HG3 PRO A 124 -7.622 15.112 9.796 1.00 0.00 H new ATOM 0 HD2 PRO A 124 -6.521 13.227 7.936 1.00 0.00 H new ATOM 0 HD3 PRO A 124 -5.631 14.220 9.072 1.00 0.00 H new ATOM 1843 N SER A 125 -8.132 9.741 10.994 1.00 0.00 N ATOM 1844 CA SER A 125 -8.815 8.513 10.626 1.00 0.00 C ATOM 1845 C SER A 125 -9.848 8.147 11.694 1.00 0.00 C ATOM 1846 O SER A 125 -9.502 7.970 12.861 1.00 0.00 O ATOM 1847 CB SER A 125 -7.821 7.365 10.433 1.00 0.00 C ATOM 1848 OG SER A 125 -8.285 6.411 9.481 1.00 0.00 O ATOM 0 H SER A 125 -7.728 9.740 11.931 1.00 0.00 H new ATOM 0 HA SER A 125 -9.326 8.678 9.677 1.00 0.00 H new ATOM 0 HB2 SER A 125 -6.862 7.767 10.106 1.00 0.00 H new ATOM 0 HB3 SER A 125 -7.649 6.870 11.389 1.00 0.00 H new ATOM 0 HG SER A 125 -7.622 5.696 9.385 1.00 0.00 H new ATOM 1854 N SER A 126 -11.094 8.045 11.257 1.00 0.00 N ATOM 1855 CA SER A 126 -12.179 7.704 12.162 1.00 0.00 C ATOM 1856 C SER A 126 -11.805 6.469 12.984 1.00 0.00 C ATOM 1857 O SER A 126 -11.687 5.371 12.443 1.00 0.00 O ATOM 1858 CB SER A 126 -13.479 7.457 11.394 1.00 0.00 C ATOM 1859 OG SER A 126 -13.339 6.422 10.425 1.00 0.00 O ATOM 0 H SER A 126 -11.377 8.192 10.288 1.00 0.00 H new ATOM 0 HA SER A 126 -12.341 8.546 12.835 1.00 0.00 H new ATOM 0 HB2 SER A 126 -14.270 7.192 12.096 1.00 0.00 H new ATOM 0 HB3 SER A 126 -13.788 8.378 10.899 1.00 0.00 H new ATOM 0 HG SER A 126 -12.729 5.735 10.766 1.00 0.00 H new ATOM 1865 N GLY A 127 -11.630 6.691 14.279 1.00 0.00 N ATOM 1866 CA GLY A 127 -11.272 5.609 15.181 1.00 0.00 C ATOM 1867 C GLY A 127 -9.996 5.942 15.957 1.00 0.00 C ATOM 1868 O GLY A 127 -8.954 6.208 15.359 1.00 0.00 O ATOM 0 H GLY A 127 -11.729 7.603 14.725 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -12.089 5.427 15.879 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -11.127 4.690 14.613 1.00 0.00 H new TER 1872 GLY A 127