USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 919 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 67 TYR OH : rot -128:sc= 0.339 USER MOD Set 1.2: A 103 CYS SG : rot -54:sc= -1.45 USER MOD Set 2.1: A 43 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 45 SER OG : rot 180:sc= -0.0532 USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.0677 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -12:sc= 1.02 USER MOD Single : A 13 LYS NZ :NH3+ -107:sc= 1.21 (180deg=-0.448) USER MOD Single : A 18 THR OG1 : rot -61:sc= 0.706 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0.17 K(o=0.17,f=-0.47) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -3.14! C(o=-3.1!,f=-9.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -57:sc= 0.821 USER MOD Single : A 46 ASN : amide:sc= -11! C(o=-11!,f=-15!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 127:sc= -8.2! (180deg=-10.7!) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.234 USER MOD Single : A 59 THR OG1 : rot -41:sc= 0.282 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HE2:sc= -2.42 K(o=-2.4,f=-8.7!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 56:sc= 0.359 USER MOD Single : A 74 ASN : amide:sc= -0.282 K(o=-0.28,f=-3.9) USER MOD Single : A 77 TYR OH : rot -28:sc= 0.104 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.494 USER MOD Single : A 89 GLN : amide:sc= -1.67 K(o=-1.7,f=-0.0059) USER MOD Single : A 93 GLN : amide:sc= -0.473 K(o=-0.47,f=-3.7!) USER MOD Single : A 94 HIS : no HD1:sc= -0.0147 X(o=-0.015,f=-0.34) USER MOD Single : A 95 TYR OH : rot 180:sc= -2.64! USER MOD Single : A 96 SER OG : rot 60:sc= 1.08 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -109:sc= -0.181 (180deg=-1.44!) USER MOD Single : A 104 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.5) USER MOD Single : A 105 LYS NZ :NH3+ 163:sc=-0.00176 (180deg=-0.0967) USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 110 CYS SG : rot -69:sc= 0.0268 USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.631 -7.802 -36.888 1.00 0.00 N ATOM 2 CA GLY A 1 3.610 -7.583 -37.907 1.00 0.00 C ATOM 3 C GLY A 1 3.447 -6.101 -38.225 1.00 0.00 C ATOM 4 O GLY A 1 3.898 -5.241 -37.481 1.00 0.00 O ATOM 0 H1 GLY A 1 5.448 -8.286 -37.313 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.935 -6.887 -36.499 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.239 -8.390 -36.125 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.878 -8.124 -38.815 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.659 -7.989 -37.564 1.00 0.00 H new ATOM 10 N SER A 2 2.778 -5.856 -39.371 1.00 0.00 N ATOM 11 CA SER A 2 2.543 -4.475 -39.794 1.00 0.00 C ATOM 12 C SER A 2 1.600 -3.780 -38.799 1.00 0.00 C ATOM 13 O SER A 2 1.946 -2.777 -38.183 1.00 0.00 O ATOM 14 CB SER A 2 1.918 -4.459 -41.215 1.00 0.00 C ATOM 15 OG SER A 2 0.936 -5.525 -41.550 1.00 0.00 O ATOM 0 H SER A 2 2.406 -6.572 -39.995 1.00 0.00 H new ATOM 0 HA SER A 2 3.493 -3.941 -39.817 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.428 -3.495 -41.355 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.731 -4.512 -41.940 1.00 0.00 H new ATOM 0 HG SER A 2 0.619 -5.400 -42.469 1.00 0.00 H new ATOM 21 N VAL A 3 0.394 -4.378 -38.682 1.00 0.00 N ATOM 22 CA VAL A 3 -0.593 -3.828 -37.763 1.00 0.00 C ATOM 23 C VAL A 3 -0.168 -4.114 -36.313 1.00 0.00 C ATOM 24 O VAL A 3 0.520 -5.087 -36.027 1.00 0.00 O ATOM 25 CB VAL A 3 -1.986 -4.424 -38.031 1.00 0.00 C ATOM 26 CG1 VAL A 3 -2.486 -4.130 -39.455 1.00 0.00 C ATOM 27 CG2 VAL A 3 -2.044 -5.928 -37.701 1.00 0.00 C ATOM 0 H VAL A 3 0.099 -5.209 -39.196 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.648 -2.751 -37.919 1.00 0.00 H new ATOM 0 HB VAL A 3 -2.673 -3.921 -37.350 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.473 -4.572 -39.593 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.547 -3.052 -39.604 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.793 -4.557 -40.180 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.045 -6.307 -37.905 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.321 -6.464 -38.316 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.807 -6.079 -36.648 1.00 0.00 H new ATOM 37 N ALA A 4 -0.625 -3.205 -35.435 1.00 0.00 N ATOM 38 CA ALA A 4 -0.316 -3.336 -34.017 1.00 0.00 C ATOM 39 C ALA A 4 -1.024 -2.199 -33.258 1.00 0.00 C ATOM 40 O ALA A 4 -0.408 -1.209 -32.883 1.00 0.00 O ATOM 41 CB ALA A 4 1.203 -3.296 -33.793 1.00 0.00 C ATOM 0 H ALA A 4 -1.194 -2.395 -35.681 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.672 -4.295 -33.642 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.417 -3.395 -32.729 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.672 -4.117 -34.335 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.599 -2.348 -34.156 1.00 0.00 H new ATOM 47 N PRO A 5 -2.361 -2.385 -33.042 1.00 0.00 N ATOM 48 CA PRO A 5 -3.175 -1.395 -32.343 1.00 0.00 C ATOM 49 C PRO A 5 -2.745 -1.171 -30.894 1.00 0.00 C ATOM 50 O PRO A 5 -2.485 -0.051 -30.478 1.00 0.00 O ATOM 51 CB PRO A 5 -4.618 -1.936 -32.388 1.00 0.00 C ATOM 52 CG PRO A 5 -4.572 -3.285 -33.116 1.00 0.00 C ATOM 53 CD PRO A 5 -3.116 -3.554 -33.487 1.00 0.00 C ATOM 0 HA PRO A 5 -3.068 -0.424 -32.827 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -5.016 -2.056 -31.380 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -5.274 -1.239 -32.909 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.958 -4.079 -32.477 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -5.197 -3.261 -34.008 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.752 -4.460 -33.003 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.009 -3.701 -34.562 1.00 0.00 H new ATOM 61 N VAL A 6 -2.686 -2.312 -30.169 1.00 0.00 N ATOM 62 CA VAL A 6 -2.301 -2.287 -28.762 1.00 0.00 C ATOM 63 C VAL A 6 -3.314 -1.459 -27.963 1.00 0.00 C ATOM 64 O VAL A 6 -3.039 -0.348 -27.523 1.00 0.00 O ATOM 65 CB VAL A 6 -0.862 -1.769 -28.573 1.00 0.00 C ATOM 66 CG1 VAL A 6 -0.465 -1.754 -27.089 1.00 0.00 C ATOM 67 CG2 VAL A 6 0.121 -2.596 -29.413 1.00 0.00 C ATOM 0 H VAL A 6 -2.898 -3.239 -30.537 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.312 -3.308 -28.381 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.820 -0.738 -28.926 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.555 -1.384 -26.989 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.143 -1.103 -26.538 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.525 -2.765 -26.686 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.132 -2.217 -29.268 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.077 -3.640 -29.102 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.147 -2.520 -30.467 1.00 0.00 H new ATOM 77 N GLU A 7 -4.499 -2.080 -27.814 1.00 0.00 N ATOM 78 CA GLU A 7 -5.552 -1.407 -27.073 1.00 0.00 C ATOM 79 C GLU A 7 -5.276 -1.463 -25.577 1.00 0.00 C ATOM 80 O GLU A 7 -5.119 -0.438 -24.929 1.00 0.00 O ATOM 81 CB GLU A 7 -6.907 -2.025 -27.409 1.00 0.00 C ATOM 82 CG GLU A 7 -8.067 -1.195 -26.842 1.00 0.00 C ATOM 83 CD GLU A 7 -9.406 -1.840 -27.216 1.00 0.00 C ATOM 84 OE1 GLU A 7 -9.774 -1.792 -28.389 1.00 0.00 O ATOM 85 OE2 GLU A 7 -10.062 -2.392 -26.334 1.00 0.00 O ATOM 0 H GLU A 7 -4.734 -3.002 -28.181 1.00 0.00 H new ATOM 0 HA GLU A 7 -5.574 -0.357 -27.366 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -7.012 -2.105 -28.491 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.954 -3.038 -27.008 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.978 -1.124 -25.758 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.022 -0.178 -27.232 1.00 0.00 H new ATOM 92 N THR A 8 -5.229 -2.726 -25.094 1.00 0.00 N ATOM 93 CA THR A 8 -4.968 -2.997 -23.685 1.00 0.00 C ATOM 94 C THR A 8 -5.941 -2.247 -22.748 1.00 0.00 C ATOM 95 O THR A 8 -6.773 -1.453 -23.169 1.00 0.00 O ATOM 96 CB THR A 8 -3.479 -2.733 -23.340 1.00 0.00 C ATOM 97 OG1 THR A 8 -3.165 -1.297 -23.323 1.00 0.00 O ATOM 98 CG2 THR A 8 -2.586 -3.763 -24.132 1.00 0.00 C ATOM 0 H THR A 8 -5.369 -3.560 -25.665 1.00 0.00 H new ATOM 0 HA THR A 8 -5.158 -4.056 -23.512 1.00 0.00 H new ATOM 0 HB THR A 8 -3.218 -2.955 -22.305 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.908 -0.795 -23.719 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.536 -3.589 -23.899 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.858 -4.778 -23.843 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.746 -3.635 -25.203 1.00 0.00 H new ATOM 106 N LEU A 9 -5.799 -2.562 -21.448 1.00 0.00 N ATOM 107 CA LEU A 9 -6.631 -1.873 -20.472 1.00 0.00 C ATOM 108 C LEU A 9 -6.080 -0.455 -20.292 1.00 0.00 C ATOM 109 O LEU A 9 -6.707 0.524 -20.673 1.00 0.00 O ATOM 110 CB LEU A 9 -6.621 -2.650 -19.153 1.00 0.00 C ATOM 111 CG LEU A 9 -7.524 -3.894 -19.212 1.00 0.00 C ATOM 112 CD1 LEU A 9 -6.858 -5.100 -18.530 1.00 0.00 C ATOM 113 CD2 LEU A 9 -8.903 -3.598 -18.598 1.00 0.00 C ATOM 0 H LEU A 9 -5.150 -3.253 -21.072 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.665 -1.812 -20.812 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.601 -2.953 -18.918 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.954 -1.998 -18.345 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.671 -4.152 -20.261 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.521 -5.963 -18.588 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.919 -5.329 -19.033 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.661 -4.864 -17.484 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.524 -4.492 -18.651 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.781 -3.302 -17.556 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.382 -2.790 -19.151 1.00 0.00 H new ATOM 125 N GLU A 10 -4.864 -0.427 -19.710 1.00 0.00 N ATOM 126 CA GLU A 10 -4.211 0.849 -19.469 1.00 0.00 C ATOM 127 C GLU A 10 -2.731 0.602 -19.209 1.00 0.00 C ATOM 128 O GLU A 10 -1.895 0.983 -20.016 1.00 0.00 O ATOM 129 CB GLU A 10 -4.873 1.591 -18.297 1.00 0.00 C ATOM 130 CG GLU A 10 -5.863 2.663 -18.776 1.00 0.00 C ATOM 131 CD GLU A 10 -6.120 3.703 -17.678 1.00 0.00 C ATOM 132 OE1 GLU A 10 -6.312 3.311 -16.527 1.00 0.00 O ATOM 133 OE2 GLU A 10 -6.119 4.893 -17.988 1.00 0.00 O ATOM 0 H GLU A 10 -4.340 -1.249 -19.412 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.316 1.487 -20.347 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.395 0.874 -17.663 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.103 2.058 -17.683 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.469 3.156 -19.664 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.803 2.192 -19.064 1.00 0.00 H new ATOM 140 N VAL A 11 -2.464 -0.025 -18.034 1.00 0.00 N ATOM 141 CA VAL A 11 -1.108 -0.380 -17.590 1.00 0.00 C ATOM 142 C VAL A 11 -0.108 0.794 -17.709 1.00 0.00 C ATOM 143 O VAL A 11 1.084 0.597 -17.917 1.00 0.00 O ATOM 144 CB VAL A 11 -0.601 -1.612 -18.379 1.00 0.00 C ATOM 145 CG1 VAL A 11 -1.533 -2.824 -18.219 1.00 0.00 C ATOM 146 CG2 VAL A 11 -0.384 -1.311 -19.875 1.00 0.00 C ATOM 0 H VAL A 11 -3.192 -0.295 -17.372 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.170 -0.624 -16.530 1.00 0.00 H new ATOM 0 HB VAL A 11 0.367 -1.859 -17.943 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.138 -3.665 -18.790 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.596 -3.098 -17.166 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.527 -2.570 -18.588 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.029 -2.210 -20.379 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.326 -0.992 -20.322 1.00 0.00 H new ATOM 0 HG23 VAL A 11 0.356 -0.518 -19.983 1.00 0.00 H new ATOM 156 N GLU A 12 -0.670 2.013 -17.602 1.00 0.00 N ATOM 157 CA GLU A 12 0.093 3.246 -17.712 1.00 0.00 C ATOM 158 C GLU A 12 0.759 3.561 -16.394 1.00 0.00 C ATOM 159 O GLU A 12 0.384 4.499 -15.705 1.00 0.00 O ATOM 160 CB GLU A 12 -0.800 4.407 -18.170 1.00 0.00 C ATOM 161 CG GLU A 12 -1.133 4.330 -19.665 1.00 0.00 C ATOM 162 CD GLU A 12 -1.985 5.539 -20.091 1.00 0.00 C ATOM 163 OE1 GLU A 12 -3.180 5.546 -19.796 1.00 0.00 O ATOM 164 OE2 GLU A 12 -1.446 6.455 -20.715 1.00 0.00 O ATOM 0 H GLU A 12 -1.666 2.158 -17.437 1.00 0.00 H new ATOM 0 HA GLU A 12 0.867 3.110 -18.468 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.725 4.401 -17.593 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.300 5.352 -17.960 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.212 4.303 -20.248 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.671 3.406 -19.877 1.00 0.00 H new ATOM 171 N LYS A 13 1.772 2.723 -16.104 1.00 0.00 N ATOM 172 CA LYS A 13 2.551 2.906 -14.901 1.00 0.00 C ATOM 173 C LYS A 13 1.682 2.775 -13.653 1.00 0.00 C ATOM 174 O LYS A 13 1.587 3.664 -12.820 1.00 0.00 O ATOM 175 CB LYS A 13 3.256 4.234 -14.907 1.00 0.00 C ATOM 176 CG LYS A 13 4.442 4.301 -15.789 1.00 0.00 C ATOM 177 CD LYS A 13 5.336 3.113 -15.784 1.00 0.00 C ATOM 178 CE LYS A 13 6.746 3.370 -16.288 1.00 0.00 C ATOM 179 NZ LYS A 13 7.534 4.169 -15.356 1.00 0.00 N ATOM 0 H LYS A 13 2.054 1.932 -16.684 1.00 0.00 H new ATOM 0 HA LYS A 13 3.303 2.117 -14.879 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.548 5.004 -15.214 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.564 4.471 -13.889 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.100 4.467 -16.810 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.031 5.173 -15.505 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.395 2.725 -14.767 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.883 2.334 -16.397 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.247 2.417 -16.459 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.697 3.881 -17.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.651 5.130 -15.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.045 4.216 -14.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.469 3.731 -15.227 1.00 0.00 H new ATOM 193 N TRP A 14 1.094 1.583 -13.573 1.00 0.00 N ATOM 194 CA TRP A 14 0.262 1.295 -12.406 1.00 0.00 C ATOM 195 C TRP A 14 0.502 -0.195 -12.038 1.00 0.00 C ATOM 196 O TRP A 14 0.828 -0.502 -10.902 1.00 0.00 O ATOM 197 CB TRP A 14 -1.223 1.696 -12.574 1.00 0.00 C ATOM 198 CG TRP A 14 -2.155 0.650 -13.165 1.00 0.00 C ATOM 199 CD1 TRP A 14 -2.757 0.669 -14.414 1.00 0.00 C ATOM 200 CD2 TRP A 14 -2.664 -0.528 -12.512 1.00 0.00 C ATOM 201 NE1 TRP A 14 -3.572 -0.407 -14.564 1.00 0.00 N ATOM 202 CE2 TRP A 14 -3.556 -1.181 -13.402 1.00 0.00 C ATOM 203 CE3 TRP A 14 -2.429 -1.049 -11.273 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.184 -2.341 -12.999 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -3.061 -2.216 -10.888 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.929 -2.861 -11.749 1.00 0.00 C ATOM 0 H TRP A 14 1.170 0.835 -14.263 1.00 0.00 H new ATOM 0 HA TRP A 14 0.558 1.925 -11.567 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.610 1.981 -11.596 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.265 2.584 -13.205 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.600 1.432 -15.162 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.115 -0.618 -15.401 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -1.751 -0.551 -10.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.874 -2.841 -13.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.875 -2.627 -9.907 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -4.410 -3.777 -11.440 1.00 0.00 H new ATOM 217 N PHE A 15 0.357 -1.095 -13.046 1.00 0.00 N ATOM 218 CA PHE A 15 0.608 -2.520 -12.816 1.00 0.00 C ATOM 219 C PHE A 15 2.107 -2.815 -13.041 1.00 0.00 C ATOM 220 O PHE A 15 2.512 -3.209 -14.130 1.00 0.00 O ATOM 221 CB PHE A 15 -0.272 -3.391 -13.745 1.00 0.00 C ATOM 222 CG PHE A 15 -0.073 -4.875 -13.515 1.00 0.00 C ATOM 223 CD1 PHE A 15 -0.160 -5.408 -12.226 1.00 0.00 C ATOM 224 CD2 PHE A 15 0.219 -5.734 -14.581 1.00 0.00 C ATOM 225 CE1 PHE A 15 0.060 -6.768 -12.007 1.00 0.00 C ATOM 226 CE2 PHE A 15 0.435 -7.095 -14.362 1.00 0.00 C ATOM 227 CZ PHE A 15 0.357 -7.612 -13.074 1.00 0.00 C ATOM 0 H PHE A 15 0.075 -0.857 -13.997 1.00 0.00 H new ATOM 0 HA PHE A 15 0.345 -2.769 -11.788 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.321 -3.140 -13.586 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.042 -3.154 -14.784 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.399 -4.763 -11.394 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.278 -5.339 -15.584 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.000 -7.168 -11.006 1.00 0.00 H new ATOM 0 HE2 PHE A 15 0.663 -7.746 -15.193 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.526 -8.665 -12.901 1.00 0.00 H new ATOM 237 N PHE A 16 2.900 -2.593 -11.968 1.00 0.00 N ATOM 238 CA PHE A 16 4.352 -2.831 -12.023 1.00 0.00 C ATOM 239 C PHE A 16 4.686 -4.197 -11.395 1.00 0.00 C ATOM 240 O PHE A 16 3.952 -4.696 -10.542 1.00 0.00 O ATOM 241 CB PHE A 16 5.116 -1.634 -11.350 1.00 0.00 C ATOM 242 CG PHE A 16 5.961 -0.856 -12.337 1.00 0.00 C ATOM 243 CD1 PHE A 16 5.447 -0.480 -13.584 1.00 0.00 C ATOM 244 CD2 PHE A 16 7.281 -0.510 -12.025 1.00 0.00 C ATOM 245 CE1 PHE A 16 6.231 0.209 -14.504 1.00 0.00 C ATOM 246 CE2 PHE A 16 8.068 0.173 -12.961 1.00 0.00 C ATOM 247 CZ PHE A 16 7.540 0.552 -14.194 1.00 0.00 C ATOM 0 H PHE A 16 2.561 -2.254 -11.068 1.00 0.00 H new ATOM 0 HA PHE A 16 4.688 -2.874 -13.059 1.00 0.00 H new ATOM 0 HB2 PHE A 16 4.394 -0.962 -10.886 1.00 0.00 H new ATOM 0 HB3 PHE A 16 5.754 -2.017 -10.553 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.427 -0.729 -13.835 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.693 -0.770 -11.061 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.819 0.479 -15.465 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.095 0.409 -12.725 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.142 1.106 -14.899 1.00 0.00 H new ATOM 257 N ARG A 17 5.889 -4.703 -11.732 1.00 0.00 N ATOM 258 CA ARG A 17 6.312 -6.016 -11.186 1.00 0.00 C ATOM 259 C ARG A 17 6.811 -5.869 -9.737 1.00 0.00 C ATOM 260 O ARG A 17 6.306 -5.033 -9.013 1.00 0.00 O ATOM 261 CB ARG A 17 7.436 -6.598 -12.114 1.00 0.00 C ATOM 262 CG ARG A 17 6.890 -7.409 -13.287 1.00 0.00 C ATOM 263 CD ARG A 17 8.011 -8.152 -14.029 1.00 0.00 C ATOM 264 NE ARG A 17 7.535 -8.664 -15.311 1.00 0.00 N ATOM 265 CZ ARG A 17 8.389 -9.068 -16.276 1.00 0.00 C ATOM 266 NH1 ARG A 17 9.701 -9.081 -16.069 1.00 0.00 N ATOM 267 NH2 ARG A 17 7.918 -9.462 -17.450 1.00 0.00 N ATOM 0 H ARG A 17 6.561 -4.250 -12.351 1.00 0.00 H new ATOM 0 HA ARG A 17 5.464 -6.701 -11.166 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.041 -5.777 -12.499 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.097 -7.230 -11.520 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.155 -8.127 -12.923 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.372 -6.746 -13.979 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.853 -7.480 -14.191 1.00 0.00 H new ATOM 0 HD3 ARG A 17 8.375 -8.976 -13.416 1.00 0.00 H new ATOM 0 HE ARG A 17 6.531 -8.718 -15.482 1.00 0.00 H new ATOM 0 HH11 ARG A 17 10.078 -8.783 -15.170 1.00 0.00 H new ATOM 0 HH12 ARG A 17 10.331 -9.389 -16.809 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.913 -9.460 -17.623 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.561 -9.768 -18.181 1.00 0.00 H new ATOM 281 N THR A 18 7.714 -6.768 -9.324 1.00 0.00 N ATOM 282 CA THR A 18 8.234 -6.704 -7.973 1.00 0.00 C ATOM 283 C THR A 18 9.484 -5.829 -7.985 1.00 0.00 C ATOM 284 O THR A 18 10.621 -6.258 -7.880 1.00 0.00 O ATOM 285 CB THR A 18 8.661 -8.099 -7.406 1.00 0.00 C ATOM 286 OG1 THR A 18 9.750 -8.085 -6.425 1.00 0.00 O ATOM 287 CG2 THR A 18 8.760 -9.223 -8.469 1.00 0.00 C ATOM 0 H THR A 18 8.085 -7.526 -9.897 1.00 0.00 H new ATOM 0 HA THR A 18 7.436 -6.310 -7.344 1.00 0.00 H new ATOM 0 HB THR A 18 7.802 -8.382 -6.797 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.557 -7.711 -6.837 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.061 -10.153 -7.988 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.789 -9.359 -8.946 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.499 -8.948 -9.222 1.00 0.00 H new ATOM 295 N ILE A 19 9.164 -4.537 -8.199 1.00 0.00 N ATOM 296 CA ILE A 19 10.226 -3.565 -8.155 1.00 0.00 C ATOM 297 C ILE A 19 10.603 -3.414 -6.679 1.00 0.00 C ATOM 298 O ILE A 19 9.819 -3.715 -5.784 1.00 0.00 O ATOM 299 CB ILE A 19 9.765 -2.238 -8.766 1.00 0.00 C ATOM 300 CG1 ILE A 19 10.930 -1.416 -9.311 1.00 0.00 C ATOM 301 CG2 ILE A 19 8.865 -1.448 -7.832 1.00 0.00 C ATOM 302 CD1 ILE A 19 10.502 -0.021 -9.803 1.00 0.00 C ATOM 0 H ILE A 19 8.230 -4.176 -8.392 1.00 0.00 H new ATOM 0 HA ILE A 19 11.090 -3.882 -8.739 1.00 0.00 H new ATOM 0 HB ILE A 19 9.147 -2.490 -9.627 1.00 0.00 H new ATOM 0 HG12 ILE A 19 11.685 -1.305 -8.533 1.00 0.00 H new ATOM 0 HG13 ILE A 19 11.397 -1.958 -10.133 1.00 0.00 H new ATOM 0 HG21 ILE A 19 8.568 -0.517 -8.315 1.00 0.00 H new ATOM 0 HG22 ILE A 19 7.977 -2.036 -7.599 1.00 0.00 H new ATOM 0 HG23 ILE A 19 9.404 -1.224 -6.911 1.00 0.00 H new ATOM 0 HD11 ILE A 19 11.373 0.515 -10.179 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.768 -0.126 -10.602 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.061 0.537 -8.977 1.00 0.00 H new ATOM 314 N SER A 20 11.836 -2.931 -6.478 1.00 0.00 N ATOM 315 CA SER A 20 12.273 -2.733 -5.105 1.00 0.00 C ATOM 316 C SER A 20 11.351 -1.695 -4.446 1.00 0.00 C ATOM 317 O SER A 20 10.750 -0.849 -5.090 1.00 0.00 O ATOM 318 CB SER A 20 13.739 -2.255 -5.124 1.00 0.00 C ATOM 319 OG SER A 20 14.348 -2.395 -3.760 1.00 0.00 O ATOM 0 H SER A 20 12.508 -2.685 -7.205 1.00 0.00 H new ATOM 0 HA SER A 20 12.218 -3.658 -4.531 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.310 -2.838 -5.847 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.786 -1.215 -5.446 1.00 0.00 H new ATOM 0 HG SER A 20 15.279 -2.090 -3.785 1.00 0.00 H new ATOM 325 N ARG A 21 11.335 -1.787 -3.119 1.00 0.00 N ATOM 326 CA ARG A 21 10.501 -0.885 -2.327 1.00 0.00 C ATOM 327 C ARG A 21 10.923 0.558 -2.613 1.00 0.00 C ATOM 328 O ARG A 21 10.148 1.391 -3.056 1.00 0.00 O ATOM 329 CB ARG A 21 10.625 -1.221 -0.836 1.00 0.00 C ATOM 330 CG ARG A 21 9.919 -0.187 0.053 1.00 0.00 C ATOM 331 CD ARG A 21 9.360 -0.784 1.346 1.00 0.00 C ATOM 332 NE ARG A 21 10.422 -1.272 2.209 1.00 0.00 N ATOM 333 CZ ARG A 21 10.139 -1.775 3.429 1.00 0.00 C ATOM 334 NH1 ARG A 21 8.885 -1.868 3.855 1.00 0.00 N ATOM 335 NH2 ARG A 21 11.126 -2.175 4.218 1.00 0.00 N ATOM 0 H ARG A 21 11.877 -2.461 -2.578 1.00 0.00 H new ATOM 0 HA ARG A 21 9.453 -1.006 -2.602 1.00 0.00 H new ATOM 0 HB2 ARG A 21 10.199 -2.207 -0.651 1.00 0.00 H new ATOM 0 HB3 ARG A 21 11.679 -1.272 -0.563 1.00 0.00 H new ATOM 0 HG2 ARG A 21 10.621 0.608 0.302 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.105 0.271 -0.510 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.778 -0.029 1.875 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.680 -1.601 1.106 1.00 0.00 H new ATOM 0 HE ARG A 21 11.390 -1.234 1.890 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.119 -1.557 3.258 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.688 -2.251 4.780 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.093 -2.102 3.902 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.918 -2.556 5.141 1.00 0.00 H new ATOM 349 N LYS A 22 12.226 0.766 -2.358 1.00 0.00 N ATOM 350 CA LYS A 22 12.817 2.069 -2.621 1.00 0.00 C ATOM 351 C LYS A 22 12.750 2.481 -4.096 1.00 0.00 C ATOM 352 O LYS A 22 12.863 3.660 -4.413 1.00 0.00 O ATOM 353 CB LYS A 22 14.235 2.152 -2.074 1.00 0.00 C ATOM 354 CG LYS A 22 15.140 1.055 -2.589 1.00 0.00 C ATOM 355 CD LYS A 22 15.610 1.252 -4.003 1.00 0.00 C ATOM 356 CE LYS A 22 17.080 0.897 -4.212 1.00 0.00 C ATOM 357 NZ LYS A 22 17.956 1.967 -3.742 1.00 0.00 N ATOM 0 H LYS A 22 12.865 0.066 -1.982 1.00 0.00 H new ATOM 0 HA LYS A 22 12.206 2.795 -2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 22 14.662 3.120 -2.337 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.201 2.104 -0.986 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.010 0.982 -1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.612 0.104 -2.524 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.999 0.642 -4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 22 15.452 2.292 -4.288 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.313 -0.026 -3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.265 0.711 -5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.948 1.697 -3.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 17.749 2.841 -4.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.795 2.126 -2.727 1.00 0.00 H new ATOM 371 N ASP A 23 12.531 1.464 -4.967 1.00 0.00 N ATOM 372 CA ASP A 23 12.506 1.740 -6.382 1.00 0.00 C ATOM 373 C ASP A 23 11.179 2.370 -6.798 1.00 0.00 C ATOM 374 O ASP A 23 11.098 3.491 -7.259 1.00 0.00 O ATOM 375 CB ASP A 23 12.764 0.509 -7.279 1.00 0.00 C ATOM 376 CG ASP A 23 14.260 0.191 -7.464 1.00 0.00 C ATOM 377 OD1 ASP A 23 15.107 0.998 -7.078 1.00 0.00 O ATOM 378 OD2 ASP A 23 14.562 -0.868 -8.008 1.00 0.00 O ATOM 0 H ASP A 23 12.377 0.490 -4.706 1.00 0.00 H new ATOM 0 HA ASP A 23 13.332 2.434 -6.537 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.267 -0.358 -6.845 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.313 0.680 -8.256 1.00 0.00 H new ATOM 383 N ALA A 24 10.137 1.571 -6.607 1.00 0.00 N ATOM 384 CA ALA A 24 8.778 2.024 -6.917 1.00 0.00 C ATOM 385 C ALA A 24 8.490 3.410 -6.268 1.00 0.00 C ATOM 386 O ALA A 24 7.863 4.280 -6.855 1.00 0.00 O ATOM 387 CB ALA A 24 7.841 0.962 -6.364 1.00 0.00 C ATOM 0 H ALA A 24 10.199 0.620 -6.245 1.00 0.00 H new ATOM 0 HA ALA A 24 8.642 2.151 -7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.808 1.247 -6.566 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.054 0.005 -6.841 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.988 0.872 -5.288 1.00 0.00 H new ATOM 393 N GLU A 25 8.997 3.551 -5.026 1.00 0.00 N ATOM 394 CA GLU A 25 8.824 4.792 -4.293 1.00 0.00 C ATOM 395 C GLU A 25 9.546 5.933 -5.016 1.00 0.00 C ATOM 396 O GLU A 25 9.060 7.045 -5.022 1.00 0.00 O ATOM 397 CB GLU A 25 9.348 4.653 -2.863 1.00 0.00 C ATOM 398 CG GLU A 25 8.527 3.668 -2.016 1.00 0.00 C ATOM 399 CD GLU A 25 9.204 3.361 -0.660 1.00 0.00 C ATOM 400 OE1 GLU A 25 10.420 3.509 -0.537 1.00 0.00 O ATOM 401 OE2 GLU A 25 8.502 2.979 0.273 1.00 0.00 O ATOM 0 H GLU A 25 9.518 2.828 -4.529 1.00 0.00 H new ATOM 0 HA GLU A 25 7.759 5.021 -4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.386 4.321 -2.893 1.00 0.00 H new ATOM 0 HB3 GLU A 25 9.340 5.631 -2.382 1.00 0.00 H new ATOM 0 HG2 GLU A 25 7.534 4.082 -1.839 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.391 2.740 -2.571 1.00 0.00 H new ATOM 408 N ARG A 26 10.696 5.612 -5.658 1.00 0.00 N ATOM 409 CA ARG A 26 11.472 6.631 -6.374 1.00 0.00 C ATOM 410 C ARG A 26 10.669 7.222 -7.546 1.00 0.00 C ATOM 411 O ARG A 26 10.859 8.363 -7.949 1.00 0.00 O ATOM 412 CB ARG A 26 12.785 6.011 -6.914 1.00 0.00 C ATOM 413 CG ARG A 26 12.751 5.388 -8.331 1.00 0.00 C ATOM 414 CD ARG A 26 13.667 4.164 -8.484 1.00 0.00 C ATOM 415 NE ARG A 26 14.520 4.283 -9.660 1.00 0.00 N ATOM 416 CZ ARG A 26 15.473 5.235 -9.751 1.00 0.00 C ATOM 417 NH1 ARG A 26 15.649 6.128 -8.782 1.00 0.00 N ATOM 418 NH2 ARG A 26 16.244 5.285 -10.826 1.00 0.00 N ATOM 0 H ARG A 26 11.093 4.673 -5.690 1.00 0.00 H new ATOM 0 HA ARG A 26 11.701 7.433 -5.672 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.551 6.786 -6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 26 13.105 5.239 -6.215 1.00 0.00 H new ATOM 0 HG2 ARG A 26 11.727 5.098 -8.567 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.044 6.144 -9.059 1.00 0.00 H new ATOM 0 HD2 ARG A 26 14.286 4.057 -7.593 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.061 3.261 -8.562 1.00 0.00 H new ATOM 0 HE ARG A 26 14.394 3.631 -10.434 1.00 0.00 H new ATOM 0 HH11 ARG A 26 15.058 6.102 -7.951 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.375 6.839 -8.870 1.00 0.00 H new ATOM 0 HH21 ARG A 26 16.116 4.607 -11.578 1.00 0.00 H new ATOM 0 HH22 ARG A 26 16.966 6.001 -10.903 1.00 0.00 H new ATOM 432 N GLN A 27 9.744 6.366 -8.034 1.00 0.00 N ATOM 433 CA GLN A 27 8.918 6.766 -9.173 1.00 0.00 C ATOM 434 C GLN A 27 7.838 7.765 -8.751 1.00 0.00 C ATOM 435 O GLN A 27 7.743 8.859 -9.296 1.00 0.00 O ATOM 436 CB GLN A 27 8.254 5.557 -9.853 1.00 0.00 C ATOM 437 CG GLN A 27 9.252 4.446 -10.203 1.00 0.00 C ATOM 438 CD GLN A 27 8.701 3.529 -11.305 1.00 0.00 C ATOM 439 OE1 GLN A 27 7.509 3.473 -11.580 1.00 0.00 O ATOM 440 NE2 GLN A 27 9.659 2.840 -11.938 1.00 0.00 N ATOM 0 H GLN A 27 9.561 5.432 -7.668 1.00 0.00 H new ATOM 0 HA GLN A 27 9.588 7.242 -9.889 1.00 0.00 H new ATOM 0 HB2 GLN A 27 7.485 5.153 -9.194 1.00 0.00 H new ATOM 0 HB3 GLN A 27 7.753 5.888 -10.763 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.192 4.889 -10.532 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.471 3.857 -9.312 1.00 0.00 H new ATOM 0 HE21 GLN A 27 10.633 2.939 -11.651 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.415 2.216 -12.707 1.00 0.00 H new ATOM 449 N LEU A 28 6.999 7.304 -7.790 1.00 0.00 N ATOM 450 CA LEU A 28 5.945 8.173 -7.296 1.00 0.00 C ATOM 451 C LEU A 28 6.517 9.442 -6.639 1.00 0.00 C ATOM 452 O LEU A 28 5.931 10.509 -6.736 1.00 0.00 O ATOM 453 CB LEU A 28 5.038 7.413 -6.330 1.00 0.00 C ATOM 454 CG LEU A 28 4.511 6.145 -6.972 1.00 0.00 C ATOM 455 CD1 LEU A 28 3.926 5.271 -5.885 1.00 0.00 C ATOM 456 CD2 LEU A 28 3.462 6.469 -8.022 1.00 0.00 C ATOM 0 H LEU A 28 7.040 6.376 -7.368 1.00 0.00 H new ATOM 0 HA LEU A 28 5.348 8.495 -8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.591 7.165 -5.424 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.204 8.048 -6.031 1.00 0.00 H new ATOM 0 HG LEU A 28 5.323 5.620 -7.474 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.540 4.352 -6.326 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.700 5.028 -5.158 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.115 5.803 -5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.098 5.544 -8.470 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.631 6.998 -7.555 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.903 7.097 -8.796 1.00 0.00 H new ATOM 468 N LEU A 29 7.703 9.276 -5.998 1.00 0.00 N ATOM 469 CA LEU A 29 8.335 10.398 -5.315 1.00 0.00 C ATOM 470 C LEU A 29 8.856 11.473 -6.277 1.00 0.00 C ATOM 471 O LEU A 29 9.325 12.514 -5.833 1.00 0.00 O ATOM 472 CB LEU A 29 9.493 9.889 -4.451 1.00 0.00 C ATOM 473 CG LEU A 29 9.014 9.205 -3.161 1.00 0.00 C ATOM 474 CD1 LEU A 29 10.135 8.314 -2.635 1.00 0.00 C ATOM 475 CD2 LEU A 29 8.612 10.242 -2.093 1.00 0.00 C ATOM 0 H LEU A 29 8.217 8.396 -5.948 1.00 0.00 H new ATOM 0 HA LEU A 29 7.567 10.864 -4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.091 9.185 -5.030 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.144 10.725 -4.194 1.00 0.00 H new ATOM 0 HG LEU A 29 8.131 8.606 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.809 7.822 -1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 29 10.383 7.561 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 29 11.015 8.922 -2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.278 9.726 -1.193 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.470 10.870 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.803 10.864 -2.476 1.00 0.00 H new ATOM 487 N ALA A 30 8.750 11.191 -7.589 1.00 0.00 N ATOM 488 CA ALA A 30 9.156 12.174 -8.586 1.00 0.00 C ATOM 489 C ALA A 30 8.213 13.390 -8.499 1.00 0.00 C ATOM 490 O ALA A 30 7.023 13.235 -8.263 1.00 0.00 O ATOM 491 CB ALA A 30 9.135 11.608 -10.010 1.00 0.00 C ATOM 0 H ALA A 30 8.395 10.313 -7.967 1.00 0.00 H new ATOM 0 HA ALA A 30 10.185 12.464 -8.371 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.446 12.381 -10.713 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.819 10.762 -10.075 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.125 11.278 -10.256 1.00 0.00 H new ATOM 497 N PRO A 31 8.783 14.612 -8.707 1.00 0.00 N ATOM 498 CA PRO A 31 7.982 15.829 -8.651 1.00 0.00 C ATOM 499 C PRO A 31 6.989 15.989 -9.817 1.00 0.00 C ATOM 500 O PRO A 31 6.144 16.876 -9.807 1.00 0.00 O ATOM 501 CB PRO A 31 9.017 16.965 -8.784 1.00 0.00 C ATOM 502 CG PRO A 31 10.376 16.327 -9.055 1.00 0.00 C ATOM 503 CD PRO A 31 10.202 14.835 -8.889 1.00 0.00 C ATOM 0 HA PRO A 31 7.386 15.823 -7.738 1.00 0.00 H new ATOM 0 HB2 PRO A 31 8.743 17.639 -9.596 1.00 0.00 H new ATOM 0 HB3 PRO A 31 9.050 17.561 -7.872 1.00 0.00 H new ATOM 0 HG2 PRO A 31 10.721 16.566 -10.061 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.126 16.708 -8.362 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.571 14.300 -9.764 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.767 14.470 -8.031 1.00 0.00 H new ATOM 511 N MET A 32 7.089 15.041 -10.772 1.00 0.00 N ATOM 512 CA MET A 32 6.181 15.027 -11.902 1.00 0.00 C ATOM 513 C MET A 32 4.776 14.548 -11.532 1.00 0.00 C ATOM 514 O MET A 32 3.823 14.812 -12.247 1.00 0.00 O ATOM 515 CB MET A 32 6.790 14.119 -12.973 1.00 0.00 C ATOM 516 CG MET A 32 7.725 14.874 -13.910 1.00 0.00 C ATOM 517 SD MET A 32 8.173 13.881 -15.344 1.00 0.00 S ATOM 518 CE MET A 32 9.572 13.002 -14.637 1.00 0.00 C ATOM 0 H MET A 32 7.783 14.293 -10.771 1.00 0.00 H new ATOM 0 HA MET A 32 6.061 16.047 -12.268 1.00 0.00 H new ATOM 0 HB2 MET A 32 7.339 13.310 -12.491 1.00 0.00 H new ATOM 0 HB3 MET A 32 5.990 13.660 -13.554 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.244 15.795 -14.240 1.00 0.00 H new ATOM 0 HG3 MET A 32 8.627 15.162 -13.370 1.00 0.00 H new ATOM 0 HE1 MET A 32 9.992 12.327 -15.383 1.00 0.00 H new ATOM 0 HE2 MET A 32 10.332 13.718 -14.326 1.00 0.00 H new ATOM 0 HE3 MET A 32 9.241 12.426 -13.773 1.00 0.00 H new ATOM 528 N ASN A 33 4.714 13.867 -10.377 1.00 0.00 N ATOM 529 CA ASN A 33 3.437 13.357 -9.894 1.00 0.00 C ATOM 530 C ASN A 33 3.347 13.438 -8.360 1.00 0.00 C ATOM 531 O ASN A 33 4.328 13.661 -7.663 1.00 0.00 O ATOM 532 CB ASN A 33 3.222 11.942 -10.411 1.00 0.00 C ATOM 533 CG ASN A 33 2.929 11.898 -11.909 1.00 0.00 C ATOM 534 OD1 ASN A 33 3.642 11.292 -12.692 1.00 0.00 O ATOM 535 ND2 ASN A 33 1.787 12.546 -12.215 1.00 0.00 N ATOM 0 H ASN A 33 5.515 13.664 -9.779 1.00 0.00 H new ATOM 0 HA ASN A 33 2.633 13.983 -10.281 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.109 11.345 -10.201 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.394 11.484 -9.870 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.449 12.557 -13.177 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.261 13.025 -11.484 1.00 0.00 H new ATOM 542 N LYS A 34 2.100 13.236 -7.885 1.00 0.00 N ATOM 543 CA LYS A 34 1.838 13.303 -6.449 1.00 0.00 C ATOM 544 C LYS A 34 0.707 12.335 -6.084 1.00 0.00 C ATOM 545 O LYS A 34 0.365 11.458 -6.868 1.00 0.00 O ATOM 546 CB LYS A 34 1.493 14.746 -6.055 1.00 0.00 C ATOM 547 CG LYS A 34 0.292 15.279 -6.850 1.00 0.00 C ATOM 548 CD LYS A 34 0.781 16.119 -8.007 1.00 0.00 C ATOM 549 CE LYS A 34 -0.349 16.553 -8.945 1.00 0.00 C ATOM 550 NZ LYS A 34 -0.501 15.662 -10.093 1.00 0.00 N ATOM 0 H LYS A 34 1.285 13.031 -8.464 1.00 0.00 H new ATOM 0 HA LYS A 34 2.728 13.005 -5.895 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.272 14.789 -4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.357 15.387 -6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.310 14.449 -7.219 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.351 15.874 -6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.285 17.004 -7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.520 15.553 -8.574 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.286 16.585 -8.389 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -0.154 17.565 -9.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.278 16.001 -10.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.382 15.650 -10.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.715 14.700 -9.760 1.00 0.00 H new ATOM 564 N ALA A 35 0.080 12.629 -4.915 1.00 0.00 N ATOM 565 CA ALA A 35 -1.006 11.815 -4.361 1.00 0.00 C ATOM 566 C ALA A 35 -2.004 11.406 -5.461 1.00 0.00 C ATOM 567 O ALA A 35 -2.741 12.230 -5.987 1.00 0.00 O ATOM 568 CB ALA A 35 -1.726 12.594 -3.234 1.00 0.00 C ATOM 0 H ALA A 35 0.321 13.437 -4.341 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.578 10.904 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.532 11.983 -2.827 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.014 12.830 -2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.140 13.518 -3.637 1.00 0.00 H new ATOM 574 N GLY A 36 -1.982 10.085 -5.763 1.00 0.00 N ATOM 575 CA GLY A 36 -2.857 9.556 -6.804 1.00 0.00 C ATOM 576 C GLY A 36 -2.127 8.568 -7.701 1.00 0.00 C ATOM 577 O GLY A 36 -2.654 7.525 -8.053 1.00 0.00 O ATOM 0 H GLY A 36 -1.383 9.395 -5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.715 9.066 -6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.245 10.378 -7.406 1.00 0.00 H new ATOM 581 N SER A 37 -0.871 8.936 -8.019 1.00 0.00 N ATOM 582 CA SER A 37 -0.011 8.025 -8.763 1.00 0.00 C ATOM 583 C SER A 37 0.252 6.848 -7.817 1.00 0.00 C ATOM 584 O SER A 37 0.632 7.019 -6.656 1.00 0.00 O ATOM 585 CB SER A 37 1.304 8.732 -9.196 1.00 0.00 C ATOM 586 OG SER A 37 2.025 9.521 -8.159 1.00 0.00 O ATOM 0 H SER A 37 -0.448 9.832 -7.777 1.00 0.00 H new ATOM 0 HA SER A 37 -0.476 7.685 -9.688 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.986 7.972 -9.578 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.072 9.398 -10.027 1.00 0.00 H new ATOM 0 HG SER A 37 1.428 10.209 -7.798 1.00 0.00 H new ATOM 592 N PHE A 38 0.023 5.646 -8.407 1.00 0.00 N ATOM 593 CA PHE A 38 0.190 4.424 -7.633 1.00 0.00 C ATOM 594 C PHE A 38 1.024 3.419 -8.483 1.00 0.00 C ATOM 595 O PHE A 38 1.331 3.647 -9.651 1.00 0.00 O ATOM 596 CB PHE A 38 -1.194 3.716 -7.375 1.00 0.00 C ATOM 597 CG PHE A 38 -2.125 4.143 -6.259 1.00 0.00 C ATOM 598 CD1 PHE A 38 -2.305 5.462 -5.881 1.00 0.00 C ATOM 599 CD2 PHE A 38 -2.899 3.183 -5.604 1.00 0.00 C ATOM 600 CE1 PHE A 38 -3.269 5.828 -4.947 1.00 0.00 C ATOM 601 CE2 PHE A 38 -3.837 3.528 -4.633 1.00 0.00 C ATOM 602 CZ PHE A 38 -4.034 4.861 -4.313 1.00 0.00 C ATOM 0 H PHE A 38 -0.265 5.515 -9.377 1.00 0.00 H new ATOM 0 HA PHE A 38 0.664 4.688 -6.688 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.762 3.791 -8.302 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.980 2.659 -7.217 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -1.682 6.226 -6.322 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.767 2.142 -5.858 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.422 6.871 -4.714 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -4.408 2.760 -4.132 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.774 5.144 -3.579 1.00 0.00 H new ATOM 612 N LEU A 39 1.332 2.293 -7.791 1.00 0.00 N ATOM 613 CA LEU A 39 2.083 1.169 -8.372 1.00 0.00 C ATOM 614 C LEU A 39 1.645 -0.064 -7.592 1.00 0.00 C ATOM 615 O LEU A 39 1.511 0.039 -6.378 1.00 0.00 O ATOM 616 CB LEU A 39 3.619 1.239 -8.265 1.00 0.00 C ATOM 617 CG LEU A 39 4.248 2.630 -8.273 1.00 0.00 C ATOM 618 CD1 LEU A 39 5.468 2.622 -7.376 1.00 0.00 C ATOM 619 CD2 LEU A 39 4.680 3.100 -9.677 1.00 0.00 C ATOM 0 H LEU A 39 1.064 2.146 -6.818 1.00 0.00 H new ATOM 0 HA LEU A 39 1.866 1.169 -9.440 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.918 0.736 -7.345 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.043 0.670 -9.092 1.00 0.00 H new ATOM 0 HG LEU A 39 3.485 3.323 -7.919 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.925 3.612 -7.375 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.172 2.358 -6.361 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.187 1.891 -7.746 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.119 4.096 -9.608 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.416 2.406 -10.082 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.811 3.131 -10.334 1.00 0.00 H new ATOM 631 N ILE A 40 1.410 -1.206 -8.288 1.00 0.00 N ATOM 632 CA ILE A 40 0.966 -2.330 -7.471 1.00 0.00 C ATOM 633 C ILE A 40 2.127 -3.335 -7.695 1.00 0.00 C ATOM 634 O ILE A 40 2.168 -4.046 -8.694 1.00 0.00 O ATOM 635 CB ILE A 40 -0.472 -2.733 -7.949 1.00 0.00 C ATOM 636 CG1 ILE A 40 -1.334 -3.326 -6.839 1.00 0.00 C ATOM 637 CG2 ILE A 40 -0.496 -3.896 -8.943 1.00 0.00 C ATOM 638 CD1 ILE A 40 -2.768 -2.776 -6.994 1.00 0.00 C ATOM 0 H ILE A 40 1.508 -1.356 -9.292 1.00 0.00 H new ATOM 0 HA ILE A 40 0.822 -2.188 -6.400 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.829 -1.787 -8.355 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.336 -4.414 -6.900 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.929 -3.062 -5.862 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.526 -4.113 -9.224 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.074 -3.626 -9.832 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.052 -4.778 -8.482 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.402 -3.188 -6.209 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.751 -1.689 -6.914 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.164 -3.062 -7.968 1.00 0.00 H new ATOM 650 N ARG A 41 3.068 -3.367 -6.728 1.00 0.00 N ATOM 651 CA ARG A 41 4.177 -4.264 -6.962 1.00 0.00 C ATOM 652 C ARG A 41 3.817 -5.609 -6.330 1.00 0.00 C ATOM 653 O ARG A 41 2.996 -5.675 -5.427 1.00 0.00 O ATOM 654 CB ARG A 41 5.419 -3.619 -6.317 1.00 0.00 C ATOM 655 CG ARG A 41 5.507 -3.774 -4.794 1.00 0.00 C ATOM 656 CD ARG A 41 6.393 -4.973 -4.416 1.00 0.00 C ATOM 657 NE ARG A 41 6.879 -4.869 -3.043 1.00 0.00 N ATOM 658 CZ ARG A 41 7.820 -5.710 -2.560 1.00 0.00 C ATOM 659 NH1 ARG A 41 8.226 -6.757 -3.266 1.00 0.00 N ATOM 660 NH2 ARG A 41 8.362 -5.479 -1.369 1.00 0.00 N ATOM 0 H ARG A 41 3.076 -2.830 -5.861 1.00 0.00 H new ATOM 0 HA ARG A 41 4.386 -4.434 -8.018 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.312 -4.056 -6.765 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.427 -2.557 -6.561 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.913 -2.863 -4.354 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.508 -3.910 -4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.826 -5.897 -4.533 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.240 -5.030 -5.099 1.00 0.00 H new ATOM 0 HE ARG A 41 6.499 -4.144 -2.434 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.827 -6.937 -4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.937 -7.383 -2.888 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.067 -4.669 -0.823 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.073 -6.111 -1.001 1.00 0.00 H new ATOM 674 N GLU A 42 4.483 -6.661 -6.837 1.00 0.00 N ATOM 675 CA GLU A 42 4.197 -7.989 -6.307 1.00 0.00 C ATOM 676 C GLU A 42 5.161 -8.331 -5.189 1.00 0.00 C ATOM 677 O GLU A 42 6.340 -8.031 -5.276 1.00 0.00 O ATOM 678 CB GLU A 42 4.237 -9.034 -7.433 1.00 0.00 C ATOM 679 CG GLU A 42 5.634 -9.478 -7.849 1.00 0.00 C ATOM 680 CD GLU A 42 5.596 -10.537 -8.973 1.00 0.00 C ATOM 681 OE1 GLU A 42 4.610 -10.601 -9.706 1.00 0.00 O ATOM 682 OE2 GLU A 42 6.556 -11.293 -9.104 1.00 0.00 O ATOM 0 H GLU A 42 5.186 -6.618 -7.575 1.00 0.00 H new ATOM 0 HA GLU A 42 3.191 -7.995 -5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.673 -9.911 -7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.727 -8.626 -8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.204 -8.612 -8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.157 -9.886 -6.984 1.00 0.00 H new ATOM 689 N SER A 43 4.646 -8.991 -4.142 1.00 0.00 N ATOM 690 CA SER A 43 5.579 -9.341 -3.080 1.00 0.00 C ATOM 691 C SER A 43 6.389 -10.558 -3.577 1.00 0.00 C ATOM 692 O SER A 43 5.820 -11.617 -3.823 1.00 0.00 O ATOM 693 CB SER A 43 4.769 -9.640 -1.811 1.00 0.00 C ATOM 694 OG SER A 43 5.669 -9.462 -0.623 1.00 0.00 O ATOM 0 H SER A 43 3.673 -9.271 -4.015 1.00 0.00 H new ATOM 0 HA SER A 43 6.275 -8.538 -2.837 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.912 -8.970 -1.741 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.377 -10.657 -1.842 1.00 0.00 H new ATOM 0 HG SER A 43 5.167 -9.648 0.198 1.00 0.00 H new ATOM 700 N GLU A 44 7.709 -10.336 -3.782 1.00 0.00 N ATOM 701 CA GLU A 44 8.590 -11.408 -4.235 1.00 0.00 C ATOM 702 C GLU A 44 8.962 -12.394 -3.105 1.00 0.00 C ATOM 703 O GLU A 44 10.120 -12.735 -2.886 1.00 0.00 O ATOM 704 CB GLU A 44 9.853 -10.850 -4.851 1.00 0.00 C ATOM 705 CG GLU A 44 10.602 -9.870 -3.927 1.00 0.00 C ATOM 706 CD GLU A 44 12.084 -9.706 -4.332 1.00 0.00 C ATOM 707 OE1 GLU A 44 12.360 -9.321 -5.468 1.00 0.00 O ATOM 708 OE2 GLU A 44 12.949 -9.981 -3.499 1.00 0.00 O ATOM 0 H GLU A 44 8.169 -9.437 -3.641 1.00 0.00 H new ATOM 0 HA GLU A 44 8.029 -11.961 -4.988 1.00 0.00 H new ATOM 0 HB2 GLU A 44 10.518 -11.674 -5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.601 -10.340 -5.781 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.109 -8.898 -3.955 1.00 0.00 H new ATOM 0 HG3 GLU A 44 10.545 -10.227 -2.899 1.00 0.00 H new ATOM 715 N SER A 45 7.913 -12.812 -2.403 1.00 0.00 N ATOM 716 CA SER A 45 8.045 -13.730 -1.297 1.00 0.00 C ATOM 717 C SER A 45 6.844 -14.694 -1.269 1.00 0.00 C ATOM 718 O SER A 45 6.994 -15.884 -1.020 1.00 0.00 O ATOM 719 CB SER A 45 8.250 -12.929 0.005 1.00 0.00 C ATOM 720 OG SER A 45 6.897 -12.434 0.431 1.00 0.00 O ATOM 0 H SER A 45 6.954 -12.520 -2.591 1.00 0.00 H new ATOM 0 HA SER A 45 8.926 -14.362 -1.412 1.00 0.00 H new ATOM 0 HB2 SER A 45 8.693 -13.556 0.779 1.00 0.00 H new ATOM 0 HB3 SER A 45 8.932 -12.095 -0.158 1.00 0.00 H new ATOM 0 HG SER A 45 6.983 -11.918 1.260 1.00 0.00 H new ATOM 726 N ASN A 46 5.651 -14.107 -1.524 1.00 0.00 N ATOM 727 CA ASN A 46 4.398 -14.861 -1.532 1.00 0.00 C ATOM 728 C ASN A 46 3.887 -15.039 -2.974 1.00 0.00 C ATOM 729 O ASN A 46 3.799 -14.092 -3.737 1.00 0.00 O ATOM 730 CB ASN A 46 3.315 -14.151 -0.712 1.00 0.00 C ATOM 731 CG ASN A 46 3.287 -12.686 -1.014 1.00 0.00 C ATOM 732 OD1 ASN A 46 3.059 -12.291 -2.144 1.00 0.00 O ATOM 733 ND2 ASN A 46 3.495 -11.914 0.067 1.00 0.00 N ATOM 0 H ASN A 46 5.541 -13.113 -1.726 1.00 0.00 H new ATOM 0 HA ASN A 46 4.603 -15.834 -1.086 1.00 0.00 H new ATOM 0 HB2 ASN A 46 2.342 -14.590 -0.932 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.501 -14.303 0.351 1.00 0.00 H new ATOM 0 HD21 ASN A 46 3.469 -10.898 -0.019 1.00 0.00 H new ATOM 0 HD22 ASN A 46 3.679 -12.344 0.973 1.00 0.00 H new ATOM 740 N LYS A 47 3.593 -16.299 -3.307 1.00 0.00 N ATOM 741 CA LYS A 47 3.044 -16.684 -4.605 1.00 0.00 C ATOM 742 C LYS A 47 1.590 -16.211 -4.822 1.00 0.00 C ATOM 743 O LYS A 47 0.688 -17.019 -4.988 1.00 0.00 O ATOM 744 CB LYS A 47 3.226 -18.173 -4.910 1.00 0.00 C ATOM 745 CG LYS A 47 3.039 -19.061 -3.720 1.00 0.00 C ATOM 746 CD LYS A 47 1.696 -18.853 -3.037 1.00 0.00 C ATOM 747 CE LYS A 47 1.526 -19.775 -1.850 1.00 0.00 C ATOM 748 NZ LYS A 47 0.938 -19.105 -0.691 1.00 0.00 N ATOM 0 H LYS A 47 3.732 -17.087 -2.674 1.00 0.00 H new ATOM 0 HA LYS A 47 3.642 -16.145 -5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.517 -18.465 -5.684 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.225 -18.332 -5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.126 -20.102 -4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.839 -18.875 -3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.611 -17.817 -2.709 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.892 -19.028 -3.752 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.895 -20.616 -2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.497 -20.185 -1.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.845 -19.783 0.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.551 -18.319 -0.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.001 -18.736 -0.943 1.00 0.00 H new ATOM 762 N GLY A 48 1.394 -14.883 -4.799 1.00 0.00 N ATOM 763 CA GLY A 48 0.050 -14.381 -5.022 1.00 0.00 C ATOM 764 C GLY A 48 -0.290 -13.063 -4.339 1.00 0.00 C ATOM 765 O GLY A 48 -1.299 -12.457 -4.676 1.00 0.00 O ATOM 0 H GLY A 48 2.113 -14.178 -4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.099 -14.261 -6.095 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.660 -15.136 -4.685 1.00 0.00 H new ATOM 769 N ALA A 49 0.596 -12.627 -3.412 1.00 0.00 N ATOM 770 CA ALA A 49 0.301 -11.348 -2.715 1.00 0.00 C ATOM 771 C ALA A 49 1.066 -10.195 -3.404 1.00 0.00 C ATOM 772 O ALA A 49 2.085 -10.407 -4.050 1.00 0.00 O ATOM 773 CB ALA A 49 0.620 -11.400 -1.197 1.00 0.00 C ATOM 0 H ALA A 49 1.459 -13.098 -3.142 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.772 -11.171 -2.791 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.384 -10.438 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.022 -12.180 -0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.678 -11.619 -1.055 1.00 0.00 H new ATOM 779 N PHE A 50 0.522 -8.971 -3.213 1.00 0.00 N ATOM 780 CA PHE A 50 1.090 -7.765 -3.826 1.00 0.00 C ATOM 781 C PHE A 50 1.148 -6.657 -2.743 1.00 0.00 C ATOM 782 O PHE A 50 0.912 -6.893 -1.565 1.00 0.00 O ATOM 783 CB PHE A 50 0.209 -7.372 -5.074 1.00 0.00 C ATOM 784 CG PHE A 50 0.286 -8.313 -6.258 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.388 -9.536 -6.233 1.00 0.00 C ATOM 786 CD2 PHE A 50 0.977 -7.959 -7.423 1.00 0.00 C ATOM 787 CE1 PHE A 50 -0.385 -10.382 -7.341 1.00 0.00 C ATOM 788 CE2 PHE A 50 0.971 -8.800 -8.537 1.00 0.00 C ATOM 789 CZ PHE A 50 0.291 -10.013 -8.498 1.00 0.00 C ATOM 0 H PHE A 50 -0.305 -8.801 -2.641 1.00 0.00 H new ATOM 0 HA PHE A 50 2.105 -7.924 -4.189 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.831 -7.305 -4.754 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.505 -6.377 -5.405 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.920 -9.831 -5.341 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.520 -7.026 -7.460 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.909 -11.326 -7.300 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.497 -8.508 -9.434 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.288 -10.663 -9.360 1.00 0.00 H new ATOM 799 N SER A 51 1.435 -5.435 -3.227 1.00 0.00 N ATOM 800 CA SER A 51 1.520 -4.227 -2.409 1.00 0.00 C ATOM 801 C SER A 51 1.048 -3.038 -3.273 1.00 0.00 C ATOM 802 O SER A 51 0.992 -3.167 -4.486 1.00 0.00 O ATOM 803 CB SER A 51 2.973 -3.969 -1.942 1.00 0.00 C ATOM 804 OG SER A 51 3.758 -5.155 -1.503 1.00 0.00 O ATOM 0 H SER A 51 1.616 -5.264 -4.216 1.00 0.00 H new ATOM 0 HA SER A 51 0.897 -4.347 -1.523 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.512 -3.488 -2.759 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.943 -3.257 -1.117 1.00 0.00 H new ATOM 0 HG SER A 51 4.656 -4.871 -1.233 1.00 0.00 H new ATOM 810 N LEU A 52 0.806 -1.880 -2.628 1.00 0.00 N ATOM 811 CA LEU A 52 0.338 -0.706 -3.376 1.00 0.00 C ATOM 812 C LEU A 52 0.968 0.591 -2.794 1.00 0.00 C ATOM 813 O LEU A 52 0.827 0.902 -1.619 1.00 0.00 O ATOM 814 CB LEU A 52 -1.215 -0.756 -3.355 1.00 0.00 C ATOM 815 CG LEU A 52 -1.929 0.238 -4.289 1.00 0.00 C ATOM 816 CD1 LEU A 52 -1.412 0.091 -5.717 1.00 0.00 C ATOM 817 CD2 LEU A 52 -3.467 0.076 -4.266 1.00 0.00 C ATOM 0 H LEU A 52 0.923 -1.737 -1.625 1.00 0.00 H new ATOM 0 HA LEU A 52 0.658 -0.709 -4.418 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.531 -1.765 -3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.552 -0.573 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.703 1.238 -3.918 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.927 0.800 -6.365 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.341 0.291 -5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.599 -0.924 -6.069 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.919 0.801 -4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.731 -0.932 -4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.835 0.244 -3.254 1.00 0.00 H new ATOM 829 N SER A 53 1.695 1.298 -3.694 1.00 0.00 N ATOM 830 CA SER A 53 2.407 2.534 -3.365 1.00 0.00 C ATOM 831 C SER A 53 1.590 3.723 -3.795 1.00 0.00 C ATOM 832 O SER A 53 1.064 3.744 -4.892 1.00 0.00 O ATOM 833 CB SER A 53 3.726 2.618 -4.147 1.00 0.00 C ATOM 834 OG SER A 53 4.219 1.231 -3.944 1.00 0.00 O ATOM 0 H SER A 53 1.797 1.017 -4.669 1.00 0.00 H new ATOM 0 HA SER A 53 2.586 2.534 -2.290 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.575 2.859 -5.199 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.406 3.368 -3.743 1.00 0.00 H new ATOM 0 HG SER A 53 5.080 1.120 -4.399 1.00 0.00 H new ATOM 840 N VAL A 54 1.534 4.712 -2.891 1.00 0.00 N ATOM 841 CA VAL A 54 0.782 5.916 -3.226 1.00 0.00 C ATOM 842 C VAL A 54 1.547 7.095 -2.674 1.00 0.00 C ATOM 843 O VAL A 54 2.111 6.983 -1.601 1.00 0.00 O ATOM 844 CB VAL A 54 -0.625 5.902 -2.622 1.00 0.00 C ATOM 845 CG1 VAL A 54 -1.430 7.151 -3.054 1.00 0.00 C ATOM 846 CG2 VAL A 54 -1.282 4.566 -2.911 1.00 0.00 C ATOM 0 H VAL A 54 1.976 4.703 -1.972 1.00 0.00 H new ATOM 0 HA VAL A 54 0.669 5.975 -4.309 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.582 5.983 -1.536 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.425 7.114 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.915 8.050 -2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.518 7.169 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.284 4.553 -2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.347 4.418 -3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.688 3.765 -2.470 1.00 0.00 H new ATOM 856 N LYS A 55 1.481 8.252 -3.364 1.00 0.00 N ATOM 857 CA LYS A 55 2.261 9.332 -2.750 1.00 0.00 C ATOM 858 C LYS A 55 1.460 9.994 -1.605 1.00 0.00 C ATOM 859 O LYS A 55 0.446 10.635 -1.821 1.00 0.00 O ATOM 860 CB LYS A 55 2.483 10.312 -3.905 1.00 0.00 C ATOM 861 CG LYS A 55 3.090 11.678 -3.549 1.00 0.00 C ATOM 862 CD LYS A 55 4.478 11.894 -4.167 1.00 0.00 C ATOM 863 CE LYS A 55 5.592 11.571 -3.177 1.00 0.00 C ATOM 864 NZ LYS A 55 6.684 12.541 -3.193 1.00 0.00 N ATOM 0 H LYS A 55 0.972 8.448 -4.226 1.00 0.00 H new ATOM 0 HA LYS A 55 3.195 8.989 -2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.133 9.832 -4.637 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.524 10.484 -4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.420 12.467 -3.889 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.163 11.766 -2.465 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.584 11.266 -5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.573 12.929 -4.497 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.172 11.525 -2.172 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.992 10.582 -3.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.856 12.886 -2.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.546 12.087 -3.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.429 13.341 -3.806 1.00 0.00 H new ATOM 878 N ASP A 56 2.076 9.944 -0.379 1.00 0.00 N ATOM 879 CA ASP A 56 1.342 10.583 0.698 1.00 0.00 C ATOM 880 C ASP A 56 1.977 11.954 0.907 1.00 0.00 C ATOM 881 O ASP A 56 3.180 12.156 0.821 1.00 0.00 O ATOM 882 CB ASP A 56 1.492 9.757 1.981 1.00 0.00 C ATOM 883 CG ASP A 56 0.954 10.493 3.231 1.00 0.00 C ATOM 884 OD1 ASP A 56 -0.261 10.585 3.383 1.00 0.00 O ATOM 885 OD2 ASP A 56 1.757 10.991 4.019 1.00 0.00 O ATOM 0 H ASP A 56 2.973 9.515 -0.152 1.00 0.00 H new ATOM 0 HA ASP A 56 0.282 10.666 0.457 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.961 8.812 1.864 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.544 9.515 2.132 1.00 0.00 H new ATOM 890 N ILE A 57 1.024 12.886 1.119 1.00 0.00 N ATOM 891 CA ILE A 57 1.381 14.287 1.299 1.00 0.00 C ATOM 892 C ILE A 57 1.153 14.696 2.760 1.00 0.00 C ATOM 893 O ILE A 57 0.053 14.595 3.290 1.00 0.00 O ATOM 894 CB ILE A 57 0.552 15.166 0.335 1.00 0.00 C ATOM 895 CG1 ILE A 57 0.492 14.630 -1.101 1.00 0.00 C ATOM 896 CG2 ILE A 57 0.995 16.636 0.369 1.00 0.00 C ATOM 897 CD1 ILE A 57 1.851 14.557 -1.707 1.00 0.00 C ATOM 0 H ILE A 57 0.024 12.688 1.167 1.00 0.00 H new ATOM 0 HA ILE A 57 2.436 14.430 1.066 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.469 15.115 0.712 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.036 13.640 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -0.145 15.275 -1.706 1.00 0.00 H new ATOM 0 HG21 ILE A 57 0.385 17.216 -0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.872 17.030 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.043 16.707 0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.776 14.174 -2.725 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.295 15.552 -1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.478 13.892 -1.114 1.00 0.00 H new ATOM 909 N THR A 58 2.287 15.080 3.376 1.00 0.00 N ATOM 910 CA THR A 58 2.315 15.526 4.776 1.00 0.00 C ATOM 911 C THR A 58 3.148 16.811 4.899 1.00 0.00 C ATOM 912 O THR A 58 3.917 17.164 4.014 1.00 0.00 O ATOM 913 CB THR A 58 2.822 14.389 5.691 1.00 0.00 C ATOM 914 OG1 THR A 58 2.727 14.925 7.073 1.00 0.00 O ATOM 915 CG2 THR A 58 4.206 13.912 5.162 1.00 0.00 C ATOM 0 H THR A 58 3.199 15.089 2.920 1.00 0.00 H new ATOM 0 HA THR A 58 1.305 15.767 5.109 1.00 0.00 H new ATOM 0 HB THR A 58 2.242 13.466 5.693 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.035 14.246 7.709 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.581 13.108 5.796 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.099 13.548 4.140 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.909 14.745 5.179 1.00 0.00 H new ATOM 923 N THR A 59 2.918 17.504 6.037 1.00 0.00 N ATOM 924 CA THR A 59 3.652 18.720 6.394 1.00 0.00 C ATOM 925 C THR A 59 5.149 18.449 6.672 1.00 0.00 C ATOM 926 O THR A 59 5.855 19.350 7.109 1.00 0.00 O ATOM 927 CB THR A 59 3.034 19.580 7.534 1.00 0.00 C ATOM 928 OG1 THR A 59 3.552 20.955 7.616 1.00 0.00 O ATOM 929 CG2 THR A 59 2.970 18.761 8.871 1.00 0.00 C ATOM 0 H THR A 59 2.218 17.230 6.726 1.00 0.00 H new ATOM 0 HA THR A 59 3.558 19.329 5.495 1.00 0.00 H new ATOM 0 HB THR A 59 1.995 19.786 7.277 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.520 20.950 7.464 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.535 19.379 9.656 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.354 17.874 8.725 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.976 18.460 9.162 1.00 0.00 H new ATOM 937 N GLN A 60 5.575 17.165 6.529 1.00 0.00 N ATOM 938 CA GLN A 60 6.963 16.820 6.825 1.00 0.00 C ATOM 939 C GLN A 60 7.569 15.963 5.716 1.00 0.00 C ATOM 940 O GLN A 60 7.890 14.793 5.884 1.00 0.00 O ATOM 941 CB GLN A 60 6.990 16.055 8.146 1.00 0.00 C ATOM 942 CG GLN A 60 6.784 16.995 9.329 1.00 0.00 C ATOM 943 CD GLN A 60 6.698 16.205 10.637 1.00 0.00 C ATOM 944 OE1 GLN A 60 7.656 16.082 11.388 1.00 0.00 O ATOM 945 NE2 GLN A 60 5.485 15.679 10.850 1.00 0.00 N ATOM 0 H GLN A 60 4.990 16.388 6.221 1.00 0.00 H new ATOM 0 HA GLN A 60 7.555 17.733 6.895 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.212 15.292 8.144 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.943 15.537 8.251 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.607 17.707 9.382 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.871 17.573 9.186 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.738 15.829 10.172 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.308 15.128 11.690 1.00 0.00 H new ATOM 954 N GLY A 61 7.712 16.655 4.572 1.00 0.00 N ATOM 955 CA GLY A 61 8.289 16.009 3.401 1.00 0.00 C ATOM 956 C GLY A 61 7.257 15.119 2.709 1.00 0.00 C ATOM 957 O GLY A 61 6.367 14.568 3.342 1.00 0.00 O ATOM 0 H GLY A 61 7.443 17.630 4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.650 16.765 2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.151 15.411 3.697 1.00 0.00 H new ATOM 961 N GLU A 62 7.405 15.040 1.373 1.00 0.00 N ATOM 962 CA GLU A 62 6.496 14.218 0.604 1.00 0.00 C ATOM 963 C GLU A 62 7.024 12.772 0.632 1.00 0.00 C ATOM 964 O GLU A 62 8.217 12.533 0.491 1.00 0.00 O ATOM 965 CB GLU A 62 6.488 14.774 -0.817 1.00 0.00 C ATOM 966 CG GLU A 62 5.135 14.532 -1.479 1.00 0.00 C ATOM 967 CD GLU A 62 5.075 15.074 -2.920 1.00 0.00 C ATOM 968 OE1 GLU A 62 6.106 15.479 -3.451 1.00 0.00 O ATOM 969 OE2 GLU A 62 4.004 15.061 -3.515 1.00 0.00 O ATOM 0 H GLU A 62 8.123 15.522 0.833 1.00 0.00 H new ATOM 0 HA GLU A 62 5.482 14.225 1.004 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.703 15.842 -0.797 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.276 14.301 -1.403 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.925 13.462 -1.488 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.354 15.005 -0.884 1.00 0.00 H new ATOM 976 N VAL A 63 6.074 11.836 0.819 1.00 0.00 N ATOM 977 CA VAL A 63 6.431 10.427 0.932 1.00 0.00 C ATOM 978 C VAL A 63 5.480 9.570 0.098 1.00 0.00 C ATOM 979 O VAL A 63 4.638 10.075 -0.622 1.00 0.00 O ATOM 980 CB VAL A 63 6.315 10.040 2.420 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.172 10.978 3.295 1.00 0.00 C ATOM 982 CG2 VAL A 63 4.819 9.981 2.877 1.00 0.00 C ATOM 0 H VAL A 63 5.076 12.033 0.893 1.00 0.00 H new ATOM 0 HA VAL A 63 7.444 10.261 0.565 1.00 0.00 H new ATOM 0 HB VAL A 63 6.713 9.034 2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.076 10.688 4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 63 8.217 10.904 2.992 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.830 12.005 3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.771 9.706 3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.357 10.958 2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.286 9.238 2.283 1.00 0.00 H new ATOM 992 N VAL A 64 5.672 8.236 0.250 1.00 0.00 N ATOM 993 CA VAL A 64 4.802 7.262 -0.399 1.00 0.00 C ATOM 994 C VAL A 64 3.946 6.637 0.711 1.00 0.00 C ATOM 995 O VAL A 64 3.838 7.190 1.782 1.00 0.00 O ATOM 996 CB VAL A 64 5.648 6.278 -1.248 1.00 0.00 C ATOM 997 CG1 VAL A 64 4.873 5.324 -2.163 1.00 0.00 C ATOM 998 CG2 VAL A 64 6.475 7.063 -2.224 1.00 0.00 C ATOM 0 H VAL A 64 6.418 7.827 0.813 1.00 0.00 H new ATOM 0 HA VAL A 64 4.118 7.700 -1.126 1.00 0.00 H new ATOM 0 HB VAL A 64 6.186 5.702 -0.495 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.574 4.688 -2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.208 4.703 -1.562 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.284 5.901 -2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.074 6.379 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.819 7.640 -2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.134 7.740 -1.681 1.00 0.00 H new ATOM 1008 N LYS A 65 3.300 5.523 0.373 1.00 0.00 N ATOM 1009 CA LYS A 65 2.485 4.657 1.231 1.00 0.00 C ATOM 1010 C LYS A 65 2.637 3.178 0.838 1.00 0.00 C ATOM 1011 O LYS A 65 3.085 2.904 -0.257 1.00 0.00 O ATOM 1012 CB LYS A 65 1.072 5.071 1.261 1.00 0.00 C ATOM 1013 CG LYS A 65 0.895 6.127 2.386 1.00 0.00 C ATOM 1014 CD LYS A 65 -0.357 6.816 2.123 1.00 0.00 C ATOM 1015 CE LYS A 65 -0.921 7.720 3.199 1.00 0.00 C ATOM 1016 NZ LYS A 65 -1.781 6.982 4.107 1.00 0.00 N ATOM 0 H LYS A 65 3.334 5.172 -0.584 1.00 0.00 H new ATOM 0 HA LYS A 65 2.863 4.769 2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.779 5.490 0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.428 4.211 1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.875 5.649 3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.729 6.829 2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.223 7.415 1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.110 6.061 1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.105 8.177 3.758 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.485 8.531 2.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.153 7.626 4.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.572 6.566 3.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.235 6.224 4.564 1.00 0.00 H new ATOM 1030 N HIS A 66 2.171 2.263 1.716 1.00 0.00 N ATOM 1031 CA HIS A 66 2.213 0.839 1.409 1.00 0.00 C ATOM 1032 C HIS A 66 0.941 0.136 1.945 1.00 0.00 C ATOM 1033 O HIS A 66 0.837 -0.114 3.140 1.00 0.00 O ATOM 1034 CB HIS A 66 3.456 0.193 2.061 1.00 0.00 C ATOM 1035 CG HIS A 66 4.703 0.408 1.249 1.00 0.00 C ATOM 1036 ND1 HIS A 66 4.730 0.700 -0.064 1.00 0.00 N ATOM 1037 CD2 HIS A 66 6.019 0.341 1.721 1.00 0.00 C ATOM 1038 CE1 HIS A 66 6.046 0.803 -0.348 1.00 0.00 C ATOM 1039 NE2 HIS A 66 6.822 0.589 0.693 1.00 0.00 N ATOM 0 H HIS A 66 1.770 2.492 2.626 1.00 0.00 H new ATOM 0 HA HIS A 66 2.263 0.723 0.326 1.00 0.00 H new ATOM 0 HB2 HIS A 66 3.598 0.609 3.058 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.285 -0.876 2.184 1.00 0.00 H new ATOM 0 HD1 HIS A 66 3.940 0.817 -0.698 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.325 0.127 2.734 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.424 1.038 -1.332 1.00 0.00 H new ATOM 1047 N TYR A 67 0.064 -0.286 0.998 1.00 0.00 N ATOM 1048 CA TYR A 67 -1.192 -0.972 1.377 1.00 0.00 C ATOM 1049 C TYR A 67 -1.018 -2.460 0.986 1.00 0.00 C ATOM 1050 O TYR A 67 -0.569 -2.794 -0.104 1.00 0.00 O ATOM 1051 CB TYR A 67 -2.421 -0.396 0.611 1.00 0.00 C ATOM 1052 CG TYR A 67 -2.578 1.118 0.613 1.00 0.00 C ATOM 1053 CD1 TYR A 67 -2.120 1.898 1.667 1.00 0.00 C ATOM 1054 CD2 TYR A 67 -3.180 1.764 -0.464 1.00 0.00 C ATOM 1055 CE1 TYR A 67 -2.273 3.278 1.639 1.00 0.00 C ATOM 1056 CE2 TYR A 67 -3.331 3.150 -0.507 1.00 0.00 C ATOM 1057 CZ TYR A 67 -2.909 3.932 0.587 1.00 0.00 C ATOM 1058 OH TYR A 67 -3.091 5.313 0.807 1.00 0.00 O ATOM 0 H TYR A 67 0.200 -0.167 -0.006 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.376 -0.835 2.443 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.364 -0.731 -0.425 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.324 -0.833 1.038 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.642 1.428 2.514 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -3.541 1.173 -1.292 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.886 3.863 2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -3.769 3.622 -1.374 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.030 5.548 0.653 1.00 0.00 H new ATOM 1068 N LYS A 68 -1.323 -3.310 1.986 1.00 0.00 N ATOM 1069 CA LYS A 68 -1.241 -4.761 1.883 1.00 0.00 C ATOM 1070 C LYS A 68 -2.444 -5.396 1.166 1.00 0.00 C ATOM 1071 O LYS A 68 -3.538 -5.457 1.699 1.00 0.00 O ATOM 1072 CB LYS A 68 -1.010 -5.443 3.243 1.00 0.00 C ATOM 1073 CG LYS A 68 -1.761 -4.753 4.367 1.00 0.00 C ATOM 1074 CD LYS A 68 -1.024 -3.507 4.886 1.00 0.00 C ATOM 1075 CE LYS A 68 -0.733 -3.557 6.385 1.00 0.00 C ATOM 1076 NZ LYS A 68 -1.850 -3.054 7.175 1.00 0.00 N ATOM 0 H LYS A 68 -1.638 -2.990 2.902 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.364 -4.939 1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.326 -6.484 3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.056 -5.446 3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.752 -4.466 4.015 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.905 -5.455 5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.085 -3.397 4.344 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -1.623 -2.622 4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.515 -4.584 6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.158 -2.968 6.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.611 -3.105 8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.042 -2.066 6.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.695 -3.632 6.989 1.00 0.00 H new ATOM 1090 N ILE A 69 -2.162 -5.832 -0.076 1.00 0.00 N ATOM 1091 CA ILE A 69 -3.095 -6.605 -0.914 1.00 0.00 C ATOM 1092 C ILE A 69 -2.885 -8.113 -0.727 1.00 0.00 C ATOM 1093 O ILE A 69 -1.804 -8.634 -0.927 1.00 0.00 O ATOM 1094 CB ILE A 69 -3.169 -6.194 -2.389 1.00 0.00 C ATOM 1095 CG1 ILE A 69 -1.855 -5.663 -2.892 1.00 0.00 C ATOM 1096 CG2 ILE A 69 -4.402 -5.431 -2.819 1.00 0.00 C ATOM 1097 CD1 ILE A 69 -2.011 -5.015 -4.246 1.00 0.00 C ATOM 0 H ILE A 69 -1.267 -5.654 -0.531 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.086 -6.344 -0.542 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.338 -7.125 -2.931 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.457 -4.938 -2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.132 -6.476 -2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.334 -5.199 -3.882 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.288 -6.039 -2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.474 -4.504 -2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.045 -4.641 -4.584 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.385 -5.749 -4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.716 -4.187 -4.174 1.00 0.00 H new ATOM 1109 N ARG A 70 -3.999 -8.770 -0.337 1.00 0.00 N ATOM 1110 CA ARG A 70 -3.968 -10.219 -0.149 1.00 0.00 C ATOM 1111 C ARG A 70 -4.544 -10.859 -1.407 1.00 0.00 C ATOM 1112 O ARG A 70 -5.027 -10.173 -2.293 1.00 0.00 O ATOM 1113 CB ARG A 70 -4.775 -10.585 1.097 1.00 0.00 C ATOM 1114 CG ARG A 70 -3.855 -10.571 2.316 1.00 0.00 C ATOM 1115 CD ARG A 70 -4.147 -11.779 3.193 1.00 0.00 C ATOM 1116 NE ARG A 70 -3.705 -11.552 4.566 1.00 0.00 N ATOM 1117 CZ ARG A 70 -2.398 -11.492 4.898 1.00 0.00 C ATOM 1118 NH1 ARG A 70 -1.452 -11.738 3.998 1.00 0.00 N ATOM 1119 NH2 ARG A 70 -2.047 -11.177 6.136 1.00 0.00 N ATOM 0 H ARG A 70 -4.900 -8.328 -0.153 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.952 -10.583 0.003 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.592 -9.877 1.236 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.224 -11.571 0.977 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.813 -10.585 1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.003 -9.653 2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.216 -11.990 3.182 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -3.645 -12.657 2.787 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.406 -11.435 5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -1.709 -11.976 3.040 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.469 -11.688 4.265 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.763 -10.981 6.835 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.060 -11.131 6.390 1.00 0.00 H new ATOM 1133 N SER A 71 -4.519 -12.207 -1.383 1.00 0.00 N ATOM 1134 CA SER A 71 -5.025 -12.949 -2.527 1.00 0.00 C ATOM 1135 C SER A 71 -5.941 -14.056 -2.018 1.00 0.00 C ATOM 1136 O SER A 71 -5.512 -15.071 -1.483 1.00 0.00 O ATOM 1137 CB SER A 71 -3.895 -13.594 -3.349 1.00 0.00 C ATOM 1138 OG SER A 71 -2.969 -14.243 -2.362 1.00 0.00 O ATOM 0 H SER A 71 -4.167 -12.774 -0.612 1.00 0.00 H new ATOM 0 HA SER A 71 -5.555 -12.249 -3.173 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.294 -14.329 -4.048 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.369 -12.845 -3.940 1.00 0.00 H new ATOM 0 HG SER A 71 -3.475 -14.866 -1.800 1.00 0.00 H new ATOM 1144 N LEU A 72 -7.235 -13.746 -2.200 1.00 0.00 N ATOM 1145 CA LEU A 72 -8.304 -14.636 -1.785 1.00 0.00 C ATOM 1146 C LEU A 72 -8.742 -15.493 -2.952 1.00 0.00 C ATOM 1147 O LEU A 72 -9.186 -15.009 -3.985 1.00 0.00 O ATOM 1148 CB LEU A 72 -9.487 -13.860 -1.188 1.00 0.00 C ATOM 1149 CG LEU A 72 -9.053 -12.588 -0.478 1.00 0.00 C ATOM 1150 CD1 LEU A 72 -7.853 -12.844 0.455 1.00 0.00 C ATOM 1151 CD2 LEU A 72 -8.859 -11.457 -1.507 1.00 0.00 C ATOM 0 H LEU A 72 -7.555 -12.880 -2.634 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.923 -15.286 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.189 -13.607 -1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.019 -14.501 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.839 -12.246 0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.569 -11.913 0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.129 -13.582 1.208 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.012 -13.217 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.548 -10.547 -0.993 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.094 -11.747 -2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.798 -11.276 -2.030 1.00 0.00 H new ATOM 1163 N ASP A 73 -8.612 -16.800 -2.687 1.00 0.00 N ATOM 1164 CA ASP A 73 -9.013 -17.766 -3.713 1.00 0.00 C ATOM 1165 C ASP A 73 -10.530 -17.713 -4.029 1.00 0.00 C ATOM 1166 O ASP A 73 -10.975 -18.129 -5.090 1.00 0.00 O ATOM 1167 CB ASP A 73 -8.631 -19.184 -3.267 1.00 0.00 C ATOM 1168 CG ASP A 73 -9.273 -19.596 -1.926 1.00 0.00 C ATOM 1169 OD1 ASP A 73 -10.489 -19.773 -1.875 1.00 0.00 O ATOM 1170 OD2 ASP A 73 -8.545 -19.738 -0.946 1.00 0.00 O ATOM 0 H ASP A 73 -8.252 -17.196 -1.819 1.00 0.00 H new ATOM 0 HA ASP A 73 -8.483 -17.498 -4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.931 -19.893 -4.038 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.547 -19.250 -3.178 1.00 0.00 H new ATOM 1175 N ASN A 74 -11.279 -17.211 -3.022 1.00 0.00 N ATOM 1176 CA ASN A 74 -12.733 -17.086 -3.122 1.00 0.00 C ATOM 1177 C ASN A 74 -13.196 -15.693 -3.587 1.00 0.00 C ATOM 1178 O ASN A 74 -14.389 -15.422 -3.652 1.00 0.00 O ATOM 1179 CB ASN A 74 -13.401 -17.457 -1.790 1.00 0.00 C ATOM 1180 CG ASN A 74 -12.845 -16.649 -0.609 1.00 0.00 C ATOM 1181 OD1 ASN A 74 -12.156 -15.649 -0.767 1.00 0.00 O ATOM 1182 ND2 ASN A 74 -13.185 -17.153 0.583 1.00 0.00 N ATOM 0 H ASN A 74 -10.892 -16.889 -2.135 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.047 -17.789 -3.893 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.475 -17.290 -1.867 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.257 -18.520 -1.599 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -12.866 -16.699 1.439 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.763 -17.992 0.636 1.00 0.00 H new ATOM 1189 N GLY A 75 -12.206 -14.836 -3.895 1.00 0.00 N ATOM 1190 CA GLY A 75 -12.513 -13.484 -4.325 1.00 0.00 C ATOM 1191 C GLY A 75 -11.556 -13.002 -5.393 1.00 0.00 C ATOM 1192 O GLY A 75 -11.816 -13.060 -6.583 1.00 0.00 O ATOM 0 H GLY A 75 -11.212 -15.060 -3.852 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.533 -13.447 -4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.470 -12.812 -3.468 1.00 0.00 H new ATOM 1196 N GLY A 76 -10.455 -12.499 -4.848 1.00 0.00 N ATOM 1197 CA GLY A 76 -9.358 -11.962 -5.639 1.00 0.00 C ATOM 1198 C GLY A 76 -8.274 -11.237 -4.835 1.00 0.00 C ATOM 1199 O GLY A 76 -7.265 -11.821 -4.470 1.00 0.00 O ATOM 0 H GLY A 76 -10.299 -12.453 -3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.894 -12.779 -6.191 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.766 -11.270 -6.376 1.00 0.00 H new ATOM 1203 N TYR A 77 -8.559 -9.945 -4.539 1.00 0.00 N ATOM 1204 CA TYR A 77 -7.619 -9.095 -3.821 1.00 0.00 C ATOM 1205 C TYR A 77 -8.417 -8.228 -2.864 1.00 0.00 C ATOM 1206 O TYR A 77 -9.562 -7.880 -3.108 1.00 0.00 O ATOM 1207 CB TYR A 77 -6.779 -8.253 -4.806 1.00 0.00 C ATOM 1208 CG TYR A 77 -5.962 -9.113 -5.739 1.00 0.00 C ATOM 1209 CD1 TYR A 77 -4.671 -9.497 -5.395 1.00 0.00 C ATOM 1210 CD2 TYR A 77 -6.480 -9.518 -6.966 1.00 0.00 C ATOM 1211 CE1 TYR A 77 -3.925 -10.315 -6.258 1.00 0.00 C ATOM 1212 CE2 TYR A 77 -5.742 -10.289 -7.862 1.00 0.00 C ATOM 1213 CZ TYR A 77 -4.442 -10.708 -7.503 1.00 0.00 C ATOM 1214 OH TYR A 77 -3.617 -11.461 -8.343 1.00 0.00 O ATOM 0 H TYR A 77 -9.433 -9.484 -4.792 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.909 -9.698 -3.255 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.441 -7.613 -5.390 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -6.114 -7.596 -4.245 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.241 -9.165 -4.462 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.485 -9.226 -7.232 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -2.941 -10.646 -5.961 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.159 -10.563 -8.820 1.00 0.00 H new ATOM 0 HH TYR A 77 -2.679 -11.246 -8.158 1.00 0.00 H new ATOM 1224 N TYR A 78 -7.729 -7.902 -1.756 1.00 0.00 N ATOM 1225 CA TYR A 78 -8.402 -7.057 -0.742 1.00 0.00 C ATOM 1226 C TYR A 78 -7.368 -6.268 0.056 1.00 0.00 C ATOM 1227 O TYR A 78 -6.287 -6.763 0.347 1.00 0.00 O ATOM 1228 CB TYR A 78 -9.344 -7.850 0.211 1.00 0.00 C ATOM 1229 CG TYR A 78 -8.734 -8.375 1.511 1.00 0.00 C ATOM 1230 CD1 TYR A 78 -8.577 -7.520 2.611 1.00 0.00 C ATOM 1231 CD2 TYR A 78 -8.347 -9.713 1.666 1.00 0.00 C ATOM 1232 CE1 TYR A 78 -8.040 -7.955 3.816 1.00 0.00 C ATOM 1233 CE2 TYR A 78 -7.828 -10.168 2.883 1.00 0.00 C ATOM 1234 CZ TYR A 78 -7.649 -9.295 3.965 1.00 0.00 C ATOM 1235 OH TYR A 78 -7.110 -9.781 5.157 1.00 0.00 O ATOM 0 H TYR A 78 -6.773 -8.185 -1.542 1.00 0.00 H new ATOM 0 HA TYR A 78 -9.045 -6.370 -1.292 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -10.186 -7.207 0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -9.748 -8.699 -0.341 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -8.884 -6.489 2.518 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -8.450 -10.399 0.838 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -7.923 -7.263 4.637 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.561 -11.209 2.991 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.905 -10.734 5.058 1.00 0.00 H new ATOM 1245 N ILE A 79 -7.737 -4.978 0.282 1.00 0.00 N ATOM 1246 CA ILE A 79 -6.781 -4.130 1.057 1.00 0.00 C ATOM 1247 C ILE A 79 -7.425 -3.826 2.409 1.00 0.00 C ATOM 1248 O ILE A 79 -6.825 -4.050 3.454 1.00 0.00 O ATOM 1249 CB ILE A 79 -6.270 -2.828 0.371 1.00 0.00 C ATOM 1250 CG1 ILE A 79 -7.374 -2.209 -0.404 1.00 0.00 C ATOM 1251 CG2 ILE A 79 -5.105 -2.995 -0.561 1.00 0.00 C ATOM 1252 CD1 ILE A 79 -6.934 -1.024 -1.331 1.00 0.00 C ATOM 0 H ILE A 79 -8.601 -4.532 -0.025 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.865 -4.714 1.150 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.923 -2.206 1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.846 -2.977 -1.017 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -8.131 -1.847 0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.834 -2.027 -0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.256 -3.404 -0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.378 -3.676 -1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.804 -0.632 -1.859 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.491 -0.234 -0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.201 -1.381 -2.055 1.00 0.00 H new ATOM 1264 N SER A 80 -8.707 -3.414 2.318 1.00 0.00 N ATOM 1265 CA SER A 80 -9.467 -3.124 3.511 1.00 0.00 C ATOM 1266 C SER A 80 -10.508 -4.233 3.408 1.00 0.00 C ATOM 1267 O SER A 80 -11.153 -4.386 2.379 1.00 0.00 O ATOM 1268 CB SER A 80 -10.107 -1.682 3.466 1.00 0.00 C ATOM 1269 OG SER A 80 -10.157 -0.911 4.749 1.00 0.00 O ATOM 0 H SER A 80 -9.212 -3.282 1.442 1.00 0.00 H new ATOM 0 HA SER A 80 -8.900 -3.109 4.442 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.552 -1.090 2.738 1.00 0.00 H new ATOM 0 HB3 SER A 80 -11.126 -1.777 3.090 1.00 0.00 H new ATOM 0 HG SER A 80 -10.572 -0.038 4.590 1.00 0.00 H new ATOM 1275 N PRO A 81 -10.651 -5.015 4.515 1.00 0.00 N ATOM 1276 CA PRO A 81 -11.546 -6.158 4.488 1.00 0.00 C ATOM 1277 C PRO A 81 -13.034 -5.821 4.323 1.00 0.00 C ATOM 1278 O PRO A 81 -13.849 -6.701 4.072 1.00 0.00 O ATOM 1279 CB PRO A 81 -11.355 -6.770 5.893 1.00 0.00 C ATOM 1280 CG PRO A 81 -10.294 -5.986 6.651 1.00 0.00 C ATOM 1281 CD PRO A 81 -9.888 -4.864 5.743 1.00 0.00 C ATOM 0 HA PRO A 81 -11.307 -6.793 3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.297 -6.750 6.441 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.058 -7.815 5.808 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -10.688 -5.604 7.593 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.441 -6.619 6.896 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -10.091 -3.899 6.207 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.818 -4.901 5.539 1.00 0.00 H new ATOM 1289 N ARG A 82 -13.320 -4.499 4.326 1.00 0.00 N ATOM 1290 CA ARG A 82 -14.706 -4.085 4.115 1.00 0.00 C ATOM 1291 C ARG A 82 -15.040 -4.074 2.601 1.00 0.00 C ATOM 1292 O ARG A 82 -16.193 -3.929 2.220 1.00 0.00 O ATOM 1293 CB ARG A 82 -14.927 -2.705 4.757 1.00 0.00 C ATOM 1294 CG ARG A 82 -14.091 -1.592 4.107 1.00 0.00 C ATOM 1295 CD ARG A 82 -14.976 -0.637 3.315 1.00 0.00 C ATOM 1296 NE ARG A 82 -15.279 0.568 4.079 1.00 0.00 N ATOM 1297 CZ ARG A 82 -16.174 1.479 3.641 1.00 0.00 C ATOM 1298 NH1 ARG A 82 -16.883 1.264 2.541 1.00 0.00 N ATOM 1299 NH2 ARG A 82 -16.343 2.611 4.310 1.00 0.00 N ATOM 0 H ARG A 82 -12.646 -3.746 4.465 1.00 0.00 H new ATOM 0 HA ARG A 82 -15.381 -4.797 4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.983 -2.444 4.687 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.682 -2.762 5.818 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.552 -1.040 4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.343 -2.032 3.447 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.477 -0.364 2.385 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.904 -1.140 3.043 1.00 0.00 H new ATOM 0 HE ARG A 82 -14.803 0.726 4.967 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.756 0.401 2.013 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.555 1.962 2.223 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -15.798 2.792 5.153 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.018 3.301 3.982 1.00 0.00 H new ATOM 1313 N ILE A 83 -13.978 -4.289 1.782 1.00 0.00 N ATOM 1314 CA ILE A 83 -14.043 -4.296 0.328 1.00 0.00 C ATOM 1315 C ILE A 83 -12.924 -5.179 -0.349 1.00 0.00 C ATOM 1316 O ILE A 83 -11.694 -5.014 -0.211 1.00 0.00 O ATOM 1317 CB ILE A 83 -14.121 -2.891 -0.221 1.00 0.00 C ATOM 1318 CG1 ILE A 83 -12.994 -2.080 0.320 1.00 0.00 C ATOM 1319 CG2 ILE A 83 -15.428 -2.180 0.052 1.00 0.00 C ATOM 1320 CD1 ILE A 83 -13.144 -0.621 -0.123 1.00 0.00 C ATOM 0 H ILE A 83 -13.039 -4.465 2.139 1.00 0.00 H new ATOM 0 HA ILE A 83 -14.973 -4.793 0.054 1.00 0.00 H new ATOM 0 HB ILE A 83 -14.054 -2.991 -1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -12.981 -2.140 1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -12.044 -2.481 -0.033 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -15.394 -1.179 -0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -16.248 -2.740 -0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -15.585 -2.108 1.128 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -12.317 -0.033 0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -13.135 -0.569 -1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -14.087 -0.222 0.252 1.00 0.00 H new ATOM 1332 N THR A 84 -13.521 -6.147 -1.073 1.00 0.00 N ATOM 1333 CA THR A 84 -12.789 -7.135 -1.858 1.00 0.00 C ATOM 1334 C THR A 84 -13.058 -6.906 -3.364 1.00 0.00 C ATOM 1335 O THR A 84 -14.059 -6.315 -3.752 1.00 0.00 O ATOM 1336 CB THR A 84 -13.277 -8.561 -1.498 1.00 0.00 C ATOM 1337 OG1 THR A 84 -13.714 -8.779 -0.098 1.00 0.00 O ATOM 1338 CG2 THR A 84 -12.064 -9.504 -1.600 1.00 0.00 C ATOM 0 H THR A 84 -14.534 -6.257 -1.123 1.00 0.00 H new ATOM 0 HA THR A 84 -11.726 -7.033 -1.640 1.00 0.00 H new ATOM 0 HB THR A 84 -14.118 -8.728 -2.170 1.00 0.00 H new ATOM 0 HG1 THR A 84 -14.001 -9.709 0.014 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.371 -10.520 -1.352 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.670 -9.481 -2.616 1.00 0.00 H new ATOM 0 HG23 THR A 84 -11.291 -9.179 -0.904 1.00 0.00 H new ATOM 1346 N PHE A 85 -12.129 -7.459 -4.177 1.00 0.00 N ATOM 1347 CA PHE A 85 -12.224 -7.373 -5.636 1.00 0.00 C ATOM 1348 C PHE A 85 -11.777 -8.731 -6.222 1.00 0.00 C ATOM 1349 O PHE A 85 -11.238 -9.559 -5.497 1.00 0.00 O ATOM 1350 CB PHE A 85 -11.413 -6.159 -6.116 1.00 0.00 C ATOM 1351 CG PHE A 85 -12.028 -4.874 -5.597 1.00 0.00 C ATOM 1352 CD1 PHE A 85 -13.093 -4.247 -6.257 1.00 0.00 C ATOM 1353 CD2 PHE A 85 -11.546 -4.306 -4.419 1.00 0.00 C ATOM 1354 CE1 PHE A 85 -13.671 -3.085 -5.724 1.00 0.00 C ATOM 1355 CE2 PHE A 85 -12.138 -3.168 -3.898 1.00 0.00 C ATOM 1356 CZ PHE A 85 -13.200 -2.546 -4.527 1.00 0.00 C ATOM 0 H PHE A 85 -11.311 -7.966 -3.840 1.00 0.00 H new ATOM 0 HA PHE A 85 -13.242 -7.203 -5.987 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.383 -6.242 -5.770 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -11.383 -6.141 -7.205 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -13.471 -4.660 -7.181 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -10.706 -4.756 -3.910 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -14.486 -2.605 -6.244 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -11.760 -2.755 -2.975 1.00 0.00 H new ATOM 0 HZ PHE A 85 -13.654 -1.663 -4.102 1.00 0.00 H new ATOM 1366 N PRO A 86 -11.956 -8.914 -7.562 1.00 0.00 N ATOM 1367 CA PRO A 86 -11.528 -10.169 -8.178 1.00 0.00 C ATOM 1368 C PRO A 86 -10.110 -10.039 -8.760 1.00 0.00 C ATOM 1369 O PRO A 86 -9.312 -10.960 -8.640 1.00 0.00 O ATOM 1370 CB PRO A 86 -12.452 -10.291 -9.434 1.00 0.00 C ATOM 1371 CG PRO A 86 -13.250 -8.981 -9.567 1.00 0.00 C ATOM 1372 CD PRO A 86 -12.937 -8.153 -8.332 1.00 0.00 C ATOM 0 HA PRO A 86 -11.564 -10.987 -7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.856 -10.467 -10.330 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -13.128 -11.140 -9.329 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -12.968 -8.446 -10.474 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -14.319 -9.184 -9.636 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -12.540 -7.177 -8.610 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -13.838 -7.975 -7.745 1.00 0.00 H new ATOM 1380 N THR A 87 -9.788 -8.824 -9.240 1.00 0.00 N ATOM 1381 CA THR A 87 -8.453 -8.583 -9.775 1.00 0.00 C ATOM 1382 C THR A 87 -8.088 -7.194 -9.299 1.00 0.00 C ATOM 1383 O THR A 87 -8.911 -6.455 -8.767 1.00 0.00 O ATOM 1384 CB THR A 87 -8.318 -8.672 -11.327 1.00 0.00 C ATOM 1385 OG1 THR A 87 -7.169 -8.023 -12.011 1.00 0.00 O ATOM 1386 CG2 THR A 87 -9.609 -8.150 -11.977 1.00 0.00 C ATOM 0 H THR A 87 -10.418 -8.022 -9.265 1.00 0.00 H new ATOM 0 HA THR A 87 -7.788 -9.370 -9.421 1.00 0.00 H new ATOM 0 HB THR A 87 -8.122 -9.735 -11.469 1.00 0.00 H new ATOM 0 HG1 THR A 87 -7.235 -8.175 -12.977 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.520 -8.210 -13.062 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.453 -8.756 -11.648 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.771 -7.113 -11.683 1.00 0.00 H new ATOM 1394 N LEU A 88 -6.810 -6.854 -9.572 1.00 0.00 N ATOM 1395 CA LEU A 88 -6.407 -5.547 -9.127 1.00 0.00 C ATOM 1396 C LEU A 88 -7.023 -4.508 -10.044 1.00 0.00 C ATOM 1397 O LEU A 88 -7.273 -3.433 -9.551 1.00 0.00 O ATOM 1398 CB LEU A 88 -4.884 -5.316 -9.205 1.00 0.00 C ATOM 1399 CG LEU A 88 -4.075 -5.740 -7.996 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -4.602 -5.090 -6.756 1.00 0.00 C ATOM 1401 CD2 LEU A 88 -4.015 -7.195 -7.732 1.00 0.00 C ATOM 0 H LEU A 88 -6.112 -7.420 -10.054 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.731 -5.468 -8.089 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.502 -5.849 -10.076 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.708 -4.254 -9.379 1.00 0.00 H new ATOM 0 HG LEU A 88 -3.064 -5.419 -8.246 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.008 -5.407 -5.899 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.541 -4.007 -6.859 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.641 -5.382 -6.605 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.410 -7.379 -6.844 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.023 -7.577 -7.570 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.568 -7.702 -8.587 1.00 0.00 H new ATOM 1413 N GLN A 89 -7.283 -4.810 -11.329 1.00 0.00 N ATOM 1414 CA GLN A 89 -7.871 -3.707 -12.145 1.00 0.00 C ATOM 1415 C GLN A 89 -9.277 -3.312 -11.645 1.00 0.00 C ATOM 1416 O GLN A 89 -9.613 -2.134 -11.641 1.00 0.00 O ATOM 1417 CB GLN A 89 -7.832 -3.897 -13.681 1.00 0.00 C ATOM 1418 CG GLN A 89 -7.906 -5.344 -14.162 1.00 0.00 C ATOM 1419 CD GLN A 89 -9.236 -5.735 -14.805 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -9.321 -5.999 -15.996 1.00 0.00 O ATOM 1421 NE2 GLN A 89 -10.259 -5.761 -13.937 1.00 0.00 N ATOM 0 H GLN A 89 -7.122 -5.702 -11.796 1.00 0.00 H new ATOM 0 HA GLN A 89 -7.192 -2.871 -11.977 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.661 -3.343 -14.120 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.913 -3.451 -14.062 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.106 -5.515 -14.882 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.719 -6.004 -13.315 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.102 -5.526 -12.957 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.193 -6.016 -14.257 1.00 0.00 H new ATOM 1430 N ALA A 90 -10.063 -4.317 -11.187 1.00 0.00 N ATOM 1431 CA ALA A 90 -11.403 -3.985 -10.684 1.00 0.00 C ATOM 1432 C ALA A 90 -11.297 -3.265 -9.329 1.00 0.00 C ATOM 1433 O ALA A 90 -12.189 -2.541 -8.918 1.00 0.00 O ATOM 1434 CB ALA A 90 -12.217 -5.283 -10.444 1.00 0.00 C ATOM 0 H ALA A 90 -9.807 -5.304 -11.157 1.00 0.00 H new ATOM 0 HA ALA A 90 -11.890 -3.350 -11.424 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -13.209 -5.027 -10.071 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -12.312 -5.831 -11.381 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.703 -5.904 -9.711 1.00 0.00 H new ATOM 1440 N LEU A 91 -10.150 -3.501 -8.671 1.00 0.00 N ATOM 1441 CA LEU A 91 -9.868 -2.856 -7.405 1.00 0.00 C ATOM 1442 C LEU A 91 -9.479 -1.390 -7.659 1.00 0.00 C ATOM 1443 O LEU A 91 -9.948 -0.487 -6.983 1.00 0.00 O ATOM 1444 CB LEU A 91 -8.810 -3.720 -6.682 1.00 0.00 C ATOM 1445 CG LEU A 91 -7.864 -2.967 -5.742 1.00 0.00 C ATOM 1446 CD1 LEU A 91 -7.391 -3.776 -4.513 1.00 0.00 C ATOM 1447 CD2 LEU A 91 -6.656 -2.468 -6.539 1.00 0.00 C ATOM 0 H LEU A 91 -9.418 -4.129 -9.001 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.731 -2.797 -6.741 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.327 -4.489 -6.107 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.211 -4.233 -7.435 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.439 -2.136 -5.333 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.726 -3.161 -3.907 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -8.255 -4.072 -3.918 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.858 -4.666 -4.847 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.979 -1.931 -5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.134 -3.318 -6.979 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -6.994 -1.799 -7.331 1.00 0.00 H new ATOM 1459 N VAL A 92 -8.698 -1.205 -8.730 1.00 0.00 N ATOM 1460 CA VAL A 92 -8.161 0.092 -9.085 1.00 0.00 C ATOM 1461 C VAL A 92 -9.238 1.035 -9.665 1.00 0.00 C ATOM 1462 O VAL A 92 -9.183 2.232 -9.451 1.00 0.00 O ATOM 1463 CB VAL A 92 -6.989 -0.091 -10.085 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -6.109 1.122 -10.107 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -5.966 -1.174 -9.754 1.00 0.00 C ATOM 0 H VAL A 92 -8.427 -1.955 -9.366 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.794 0.566 -8.175 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.532 -0.326 -11.000 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.295 0.968 -10.816 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.694 1.991 -10.409 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.697 1.291 -9.112 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.200 -1.200 -10.529 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.502 -0.954 -8.793 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.464 -2.142 -9.703 1.00 0.00 H new ATOM 1475 N GLN A 93 -10.199 0.434 -10.403 1.00 0.00 N ATOM 1476 CA GLN A 93 -11.295 1.113 -11.083 1.00 0.00 C ATOM 1477 C GLN A 93 -12.167 1.841 -10.033 1.00 0.00 C ATOM 1478 O GLN A 93 -12.494 3.009 -10.170 1.00 0.00 O ATOM 1479 CB GLN A 93 -12.164 0.158 -11.950 1.00 0.00 C ATOM 1480 CG GLN A 93 -13.358 -0.488 -11.233 1.00 0.00 C ATOM 1481 CD GLN A 93 -14.141 -1.415 -12.161 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -13.998 -2.629 -12.151 1.00 0.00 O ATOM 1483 NE2 GLN A 93 -14.989 -0.758 -12.961 1.00 0.00 N ATOM 0 H GLN A 93 -10.222 -0.577 -10.538 1.00 0.00 H new ATOM 0 HA GLN A 93 -10.858 1.832 -11.776 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -12.537 0.715 -12.809 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.524 -0.635 -12.338 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -13.003 -1.052 -10.371 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -14.020 0.291 -10.854 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -15.053 0.259 -12.912 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -15.572 -1.274 -13.620 1.00 0.00 H new ATOM 1492 N HIS A 94 -12.425 1.098 -8.925 1.00 0.00 N ATOM 1493 CA HIS A 94 -13.287 1.642 -7.874 1.00 0.00 C ATOM 1494 C HIS A 94 -12.533 2.748 -7.133 1.00 0.00 C ATOM 1495 O HIS A 94 -13.047 3.838 -6.925 1.00 0.00 O ATOM 1496 CB HIS A 94 -13.705 0.516 -6.913 1.00 0.00 C ATOM 1497 CG HIS A 94 -14.783 0.994 -5.961 1.00 0.00 C ATOM 1498 ND1 HIS A 94 -14.540 1.728 -4.851 1.00 0.00 N ATOM 1499 CD2 HIS A 94 -16.167 0.762 -6.039 1.00 0.00 C ATOM 1500 CE1 HIS A 94 -15.736 1.931 -4.272 1.00 0.00 C ATOM 1501 NE2 HIS A 94 -16.738 1.362 -4.967 1.00 0.00 N ATOM 0 H HIS A 94 -12.061 0.161 -8.751 1.00 0.00 H new ATOM 0 HA HIS A 94 -14.191 2.067 -8.311 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.070 -0.338 -7.483 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -12.838 0.175 -6.347 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -16.680 0.208 -6.811 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -15.876 2.486 -3.356 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.731 1.379 -4.733 1.00 0.00 H new ATOM 1509 N TYR A 95 -11.268 2.410 -6.801 1.00 0.00 N ATOM 1510 CA TYR A 95 -10.402 3.381 -6.146 1.00 0.00 C ATOM 1511 C TYR A 95 -9.969 4.503 -7.107 1.00 0.00 C ATOM 1512 O TYR A 95 -9.347 5.458 -6.659 1.00 0.00 O ATOM 1513 CB TYR A 95 -9.157 2.739 -5.525 1.00 0.00 C ATOM 1514 CG TYR A 95 -9.515 1.830 -4.394 1.00 0.00 C ATOM 1515 CD1 TYR A 95 -10.266 2.280 -3.318 1.00 0.00 C ATOM 1516 CD2 TYR A 95 -9.092 0.517 -4.415 1.00 0.00 C ATOM 1517 CE1 TYR A 95 -10.638 1.425 -2.308 1.00 0.00 C ATOM 1518 CE2 TYR A 95 -9.466 -0.378 -3.436 1.00 0.00 C ATOM 1519 CZ TYR A 95 -10.276 0.096 -2.381 1.00 0.00 C ATOM 1520 OH TYR A 95 -10.825 -0.663 -1.391 1.00 0.00 O ATOM 0 H TYR A 95 -10.845 1.498 -6.974 1.00 0.00 H new ATOM 0 HA TYR A 95 -11.002 3.809 -5.343 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -8.617 2.177 -6.288 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -8.484 3.519 -5.168 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -10.563 3.317 -3.273 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -8.452 0.182 -5.218 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -11.208 1.790 -1.466 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -9.149 -1.410 -3.475 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.535 -1.594 -1.493 1.00 0.00 H new ATOM 1530 N SER A 96 -10.307 4.358 -8.424 1.00 0.00 N ATOM 1531 CA SER A 96 -9.853 5.424 -9.332 1.00 0.00 C ATOM 1532 C SER A 96 -10.774 6.659 -9.203 1.00 0.00 C ATOM 1533 O SER A 96 -10.275 7.774 -9.151 1.00 0.00 O ATOM 1534 CB SER A 96 -9.920 4.994 -10.850 1.00 0.00 C ATOM 1535 OG SER A 96 -8.710 4.192 -11.275 1.00 0.00 O ATOM 0 H SER A 96 -10.838 3.592 -8.838 1.00 0.00 H new ATOM 0 HA SER A 96 -8.823 5.639 -9.048 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.821 4.404 -11.019 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.000 5.884 -11.474 1.00 0.00 H new ATOM 0 HG SER A 96 -8.649 3.379 -10.731 1.00 0.00 H new ATOM 1541 N LYS A 97 -12.098 6.428 -9.177 1.00 0.00 N ATOM 1542 CA LYS A 97 -13.044 7.549 -9.079 1.00 0.00 C ATOM 1543 C LYS A 97 -13.611 7.739 -7.673 1.00 0.00 C ATOM 1544 O LYS A 97 -14.292 8.722 -7.406 1.00 0.00 O ATOM 1545 CB LYS A 97 -14.188 7.341 -10.070 1.00 0.00 C ATOM 1546 CG LYS A 97 -13.841 7.741 -11.511 1.00 0.00 C ATOM 1547 CD LYS A 97 -12.669 6.946 -12.086 1.00 0.00 C ATOM 1548 CE LYS A 97 -12.528 7.092 -13.598 1.00 0.00 C ATOM 1549 NZ LYS A 97 -11.637 8.191 -13.956 1.00 0.00 N ATOM 0 H LYS A 97 -12.527 5.503 -9.221 1.00 0.00 H new ATOM 0 HA LYS A 97 -12.487 8.455 -9.319 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -14.483 6.292 -10.055 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.051 7.919 -9.740 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -14.717 7.595 -12.143 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -13.601 8.804 -11.539 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.746 7.275 -11.608 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.798 5.892 -11.840 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -12.145 6.162 -14.019 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.510 7.262 -14.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.567 8.258 -14.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.015 9.082 -13.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.693 8.017 -13.556 1.00 0.00 H new ATOM 1563 N LYS A 98 -13.325 6.763 -6.791 1.00 0.00 N ATOM 1564 CA LYS A 98 -13.789 6.879 -5.448 1.00 0.00 C ATOM 1565 C LYS A 98 -12.849 6.073 -4.542 1.00 0.00 C ATOM 1566 O LYS A 98 -12.937 4.861 -4.382 1.00 0.00 O ATOM 1567 CB LYS A 98 -15.200 6.247 -5.384 1.00 0.00 C ATOM 1568 CG LYS A 98 -15.960 6.791 -4.225 1.00 0.00 C ATOM 1569 CD LYS A 98 -15.268 7.075 -2.959 1.00 0.00 C ATOM 1570 CE LYS A 98 -16.147 7.768 -1.919 1.00 0.00 C ATOM 1571 NZ LYS A 98 -15.311 8.426 -0.918 1.00 0.00 N ATOM 0 H LYS A 98 -12.790 5.920 -7.000 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.816 7.921 -5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -15.739 6.451 -6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -15.117 5.164 -5.296 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -16.430 7.718 -4.552 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.763 6.087 -4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -14.896 6.140 -2.541 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -14.399 7.701 -3.163 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -16.791 8.500 -2.405 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.799 7.039 -1.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -15.378 7.911 -0.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.322 8.432 -1.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -15.637 9.404 -0.783 1.00 0.00 H new ATOM 1585 N GLY A 99 -11.975 6.868 -3.895 1.00 0.00 N ATOM 1586 CA GLY A 99 -11.001 6.279 -2.978 1.00 0.00 C ATOM 1587 C GLY A 99 -11.681 5.530 -1.830 1.00 0.00 C ATOM 1588 O GLY A 99 -11.207 4.485 -1.391 1.00 0.00 O ATOM 0 H GLY A 99 -11.928 7.883 -3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.354 5.594 -3.526 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -10.363 7.064 -2.572 1.00 0.00 H new ATOM 1592 N ASP A 100 -12.820 6.109 -1.388 1.00 0.00 N ATOM 1593 CA ASP A 100 -13.571 5.430 -0.335 1.00 0.00 C ATOM 1594 C ASP A 100 -12.768 5.159 0.970 1.00 0.00 C ATOM 1595 O ASP A 100 -12.903 4.142 1.638 1.00 0.00 O ATOM 1596 CB ASP A 100 -14.318 4.261 -0.934 1.00 0.00 C ATOM 1597 CG ASP A 100 -15.507 3.719 -0.179 1.00 0.00 C ATOM 1598 OD1 ASP A 100 -15.442 3.380 1.003 1.00 0.00 O ATOM 1599 OD2 ASP A 100 -16.530 3.688 -0.829 1.00 0.00 O ATOM 0 H ASP A 100 -13.212 6.989 -1.724 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.326 6.111 0.058 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -14.659 4.555 -1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.608 3.445 -1.070 1.00 0.00 H new ATOM 1604 N GLY A 101 -11.882 6.129 1.255 1.00 0.00 N ATOM 1605 CA GLY A 101 -11.064 6.023 2.462 1.00 0.00 C ATOM 1606 C GLY A 101 -9.612 5.609 2.203 1.00 0.00 C ATOM 1607 O GLY A 101 -8.930 5.167 3.120 1.00 0.00 O ATOM 0 H GLY A 101 -11.721 6.961 0.688 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.070 6.984 2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -11.522 5.298 3.135 1.00 0.00 H new ATOM 1611 N LEU A 102 -9.157 5.771 0.933 1.00 0.00 N ATOM 1612 CA LEU A 102 -7.763 5.421 0.644 1.00 0.00 C ATOM 1613 C LEU A 102 -6.826 6.624 0.847 1.00 0.00 C ATOM 1614 O LEU A 102 -5.679 6.573 0.424 1.00 0.00 O ATOM 1615 CB LEU A 102 -7.605 4.920 -0.814 1.00 0.00 C ATOM 1616 CG LEU A 102 -7.809 3.409 -1.015 1.00 0.00 C ATOM 1617 CD1 LEU A 102 -7.230 2.987 -2.371 1.00 0.00 C ATOM 1618 CD2 LEU A 102 -7.138 2.564 0.083 1.00 0.00 C ATOM 0 H LEU A 102 -9.703 6.120 0.145 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.490 4.628 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.318 5.453 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -6.608 5.185 -1.166 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.883 3.229 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.376 1.916 -2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.738 3.530 -3.168 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -6.164 3.215 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.316 1.506 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -6.065 2.757 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.557 2.830 1.054 1.00 0.00 H new ATOM 1630 N CYS A 103 -7.337 7.668 1.541 1.00 0.00 N ATOM 1631 CA CYS A 103 -6.599 8.904 1.825 1.00 0.00 C ATOM 1632 C CYS A 103 -6.528 9.825 0.579 1.00 0.00 C ATOM 1633 O CYS A 103 -6.835 11.009 0.647 1.00 0.00 O ATOM 1634 CB CYS A 103 -5.199 8.644 2.431 1.00 0.00 C ATOM 1635 SG CYS A 103 -3.829 8.453 1.257 1.00 0.00 S ATOM 0 H CYS A 103 -8.284 7.668 1.920 1.00 0.00 H new ATOM 0 HA CYS A 103 -7.166 9.432 2.592 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -4.960 9.469 3.103 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -5.254 7.742 3.041 1.00 0.00 H new ATOM 0 HG CYS A 103 -4.126 7.532 0.389 1.00 0.00 H new ATOM 1641 N GLN A 104 -6.114 9.203 -0.549 1.00 0.00 N ATOM 1642 CA GLN A 104 -5.936 9.877 -1.803 1.00 0.00 C ATOM 1643 C GLN A 104 -6.129 8.854 -2.897 1.00 0.00 C ATOM 1644 O GLN A 104 -5.284 8.013 -3.183 1.00 0.00 O ATOM 1645 CB GLN A 104 -4.502 10.436 -1.863 1.00 0.00 C ATOM 1646 CG GLN A 104 -4.327 11.758 -1.106 1.00 0.00 C ATOM 1647 CD GLN A 104 -5.082 12.884 -1.825 1.00 0.00 C ATOM 1648 OE1 GLN A 104 -5.525 12.749 -2.959 1.00 0.00 O ATOM 1649 NE2 GLN A 104 -5.187 13.999 -1.098 1.00 0.00 N ATOM 0 H GLN A 104 -5.898 8.207 -0.587 1.00 0.00 H new ATOM 0 HA GLN A 104 -6.646 10.696 -1.919 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -3.815 9.697 -1.450 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -4.222 10.584 -2.906 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -4.699 11.654 -0.087 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.268 12.008 -1.035 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -4.791 14.034 -0.159 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -5.663 14.815 -1.482 1.00 0.00 H new ATOM 1658 N LYS A 105 -7.295 9.041 -3.518 1.00 0.00 N ATOM 1659 CA LYS A 105 -7.705 8.229 -4.628 1.00 0.00 C ATOM 1660 C LYS A 105 -6.764 8.527 -5.800 1.00 0.00 C ATOM 1661 O LYS A 105 -5.934 9.426 -5.757 1.00 0.00 O ATOM 1662 CB LYS A 105 -9.163 8.544 -4.892 1.00 0.00 C ATOM 1663 CG LYS A 105 -9.417 9.941 -5.455 1.00 0.00 C ATOM 1664 CD LYS A 105 -9.615 9.919 -6.952 1.00 0.00 C ATOM 1665 CE LYS A 105 -11.041 10.174 -7.351 1.00 0.00 C ATOM 1666 NZ LYS A 105 -11.442 11.544 -7.101 1.00 0.00 N ATOM 0 H LYS A 105 -7.968 9.761 -3.255 1.00 0.00 H new ATOM 0 HA LYS A 105 -7.636 7.157 -4.445 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -9.560 7.807 -5.590 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -9.720 8.434 -3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -10.299 10.369 -4.979 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -8.576 10.589 -5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.973 10.671 -7.411 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -9.300 8.951 -7.342 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -11.166 9.948 -8.410 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -11.697 9.499 -6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.306 11.756 -7.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.626 11.672 -6.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -10.682 12.188 -7.399 1.00 0.00 H new ATOM 1680 N LEU A 106 -6.971 7.732 -6.845 1.00 0.00 N ATOM 1681 CA LEU A 106 -6.105 7.818 -8.012 1.00 0.00 C ATOM 1682 C LEU A 106 -6.459 8.998 -8.918 1.00 0.00 C ATOM 1683 O LEU A 106 -7.618 9.328 -9.141 1.00 0.00 O ATOM 1684 CB LEU A 106 -6.219 6.562 -8.893 1.00 0.00 C ATOM 1685 CG LEU A 106 -6.303 5.281 -8.066 1.00 0.00 C ATOM 1686 CD1 LEU A 106 -6.063 4.044 -8.897 1.00 0.00 C ATOM 1687 CD2 LEU A 106 -5.314 5.289 -6.926 1.00 0.00 C ATOM 0 H LEU A 106 -7.714 7.036 -6.907 1.00 0.00 H new ATOM 0 HA LEU A 106 -5.100 7.934 -7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.104 6.643 -9.525 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.357 6.507 -9.557 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.319 5.252 -7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.133 3.160 -8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -6.812 3.985 -9.686 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.070 4.092 -9.343 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.403 4.362 -6.360 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.302 5.376 -7.323 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.521 6.135 -6.271 1.00 0.00 H new ATOM 1699 N THR A 107 -5.363 9.602 -9.409 1.00 0.00 N ATOM 1700 CA THR A 107 -5.483 10.735 -10.320 1.00 0.00 C ATOM 1701 C THR A 107 -4.750 10.443 -11.628 1.00 0.00 C ATOM 1702 O THR A 107 -5.337 10.371 -12.701 1.00 0.00 O ATOM 1703 CB THR A 107 -5.013 12.048 -9.684 1.00 0.00 C ATOM 1704 OG1 THR A 107 -3.558 11.926 -9.365 1.00 0.00 O ATOM 1705 CG2 THR A 107 -5.852 12.221 -8.400 1.00 0.00 C ATOM 0 H THR A 107 -4.406 9.326 -9.191 1.00 0.00 H new ATOM 0 HA THR A 107 -6.541 10.870 -10.543 1.00 0.00 H new ATOM 0 HB THR A 107 -5.141 12.909 -10.341 1.00 0.00 H new ATOM 0 HG1 THR A 107 -3.241 12.760 -8.959 1.00 0.00 H new ATOM 0 HG21 THR A 107 -5.563 13.144 -7.898 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.910 12.265 -8.660 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.677 11.376 -7.734 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.431 10.267 -11.447 1.00 0.00 N ATOM 1714 CA LEU A 108 -2.566 9.969 -12.579 1.00 0.00 C ATOM 1715 C LEU A 108 -1.589 8.896 -12.123 1.00 0.00 C ATOM 1716 O LEU A 108 -0.819 9.183 -11.227 1.00 0.00 O ATOM 1717 CB LEU A 108 -1.804 11.190 -13.058 1.00 0.00 C ATOM 1718 CG LEU A 108 -2.684 12.202 -13.820 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -2.682 13.596 -13.176 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -2.248 12.271 -15.289 1.00 0.00 C ATOM 0 H LEU A 108 -2.957 10.326 -10.546 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.173 9.633 -13.420 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.352 11.687 -12.199 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -0.988 10.869 -13.706 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.713 11.845 -13.767 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.318 14.265 -13.755 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.062 13.526 -12.157 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.665 13.987 -13.158 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.874 12.988 -15.821 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.206 12.587 -15.345 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.354 11.287 -15.746 1.00 0.00 H new ATOM 1732 N PRO A 109 -1.629 7.671 -12.737 1.00 0.00 N ATOM 1733 CA PRO A 109 -0.750 6.555 -12.350 1.00 0.00 C ATOM 1734 C PRO A 109 0.687 6.742 -12.868 1.00 0.00 C ATOM 1735 O PRO A 109 1.204 5.983 -13.662 1.00 0.00 O ATOM 1736 CB PRO A 109 -1.347 5.300 -13.026 1.00 0.00 C ATOM 1737 CG PRO A 109 -2.450 5.806 -13.958 1.00 0.00 C ATOM 1738 CD PRO A 109 -2.595 7.329 -13.750 1.00 0.00 C ATOM 0 HA PRO A 109 -0.698 6.484 -11.264 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -0.584 4.757 -13.584 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.750 4.611 -12.283 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.201 5.586 -14.996 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -3.392 5.301 -13.742 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -2.403 7.872 -14.675 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -3.605 7.588 -13.433 1.00 0.00 H new ATOM 1746 N CYS A 110 1.333 7.750 -12.287 1.00 0.00 N ATOM 1747 CA CYS A 110 2.714 8.112 -12.592 1.00 0.00 C ATOM 1748 C CYS A 110 3.005 8.268 -14.106 1.00 0.00 C ATOM 1749 O CYS A 110 2.330 7.757 -14.988 1.00 0.00 O ATOM 1750 CB CYS A 110 3.624 7.021 -12.008 1.00 0.00 C ATOM 1751 SG CYS A 110 5.384 7.443 -11.992 1.00 0.00 S ATOM 0 H CYS A 110 0.905 8.347 -11.580 1.00 0.00 H new ATOM 0 HA CYS A 110 2.903 9.090 -12.150 1.00 0.00 H new ATOM 0 HB2 CYS A 110 3.305 6.807 -10.988 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.488 6.105 -12.583 1.00 0.00 H new ATOM 0 HG CYS A 110 5.833 7.476 -13.211 1.00 0.00 H new ATOM 1757 N VAL A 111 4.028 9.084 -14.352 1.00 0.00 N ATOM 1758 CA VAL A 111 4.466 9.296 -15.718 1.00 0.00 C ATOM 1759 C VAL A 111 5.309 8.088 -16.152 1.00 0.00 C ATOM 1760 O VAL A 111 5.862 7.360 -15.316 1.00 0.00 O ATOM 1761 CB VAL A 111 5.251 10.604 -15.834 1.00 0.00 C ATOM 1762 CG1 VAL A 111 4.317 11.813 -15.639 1.00 0.00 C ATOM 1763 CG2 VAL A 111 6.426 10.637 -14.844 1.00 0.00 C ATOM 0 H VAL A 111 4.553 9.594 -13.641 1.00 0.00 H new ATOM 0 HA VAL A 111 3.604 9.384 -16.380 1.00 0.00 H new ATOM 0 HB VAL A 111 5.672 10.662 -16.838 1.00 0.00 H new ATOM 0 HG11 VAL A 111 4.892 12.735 -15.725 1.00 0.00 H new ATOM 0 HG12 VAL A 111 3.539 11.799 -16.402 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.858 11.762 -14.652 1.00 0.00 H new ATOM 0 HG21 VAL A 111 6.965 11.579 -14.950 1.00 0.00 H new ATOM 0 HG22 VAL A 111 6.047 10.549 -13.826 1.00 0.00 H new ATOM 0 HG23 VAL A 111 7.101 9.807 -15.053 1.00 0.00 H new ATOM 1773 N ASN A 112 5.324 7.898 -17.477 1.00 0.00 N ATOM 1774 CA ASN A 112 6.111 6.837 -18.072 1.00 0.00 C ATOM 1775 C ASN A 112 7.599 7.011 -17.789 1.00 0.00 C ATOM 1776 O ASN A 112 8.105 6.439 -16.828 1.00 0.00 O ATOM 1777 CB ASN A 112 5.836 6.779 -19.598 1.00 0.00 C ATOM 1778 CG ASN A 112 4.423 6.242 -19.884 1.00 0.00 C ATOM 1779 OD1 ASN A 112 3.638 5.978 -18.983 1.00 0.00 O ATOM 1780 ND2 ASN A 112 4.177 6.094 -21.190 1.00 0.00 N ATOM 0 H ASN A 112 4.801 8.466 -18.144 1.00 0.00 H new ATOM 0 HA ASN A 112 5.812 5.891 -17.619 1.00 0.00 H new ATOM 0 HB2 ASN A 112 5.945 7.774 -20.029 1.00 0.00 H new ATOM 0 HB3 ASN A 112 6.576 6.140 -20.080 1.00 0.00 H new ATOM 0 HD21 ASN A 112 3.274 5.735 -21.501 1.00 0.00 H new ATOM 0 HD22 ASN A 112 4.892 6.340 -21.875 1.00 0.00 H new ATOM 1787 N LEU A 113 8.246 7.883 -18.584 1.00 0.00 N ATOM 1788 CA LEU A 113 9.658 8.151 -18.372 1.00 0.00 C ATOM 1789 C LEU A 113 9.885 8.945 -17.049 1.00 0.00 C ATOM 1790 O LEU A 113 9.980 10.167 -17.024 1.00 0.00 O ATOM 1791 CB LEU A 113 10.212 8.942 -19.561 1.00 0.00 C ATOM 1792 CG LEU A 113 9.482 10.275 -19.846 1.00 0.00 C ATOM 1793 CD1 LEU A 113 10.484 11.421 -20.045 1.00 0.00 C ATOM 1794 CD2 LEU A 113 8.556 10.146 -21.060 1.00 0.00 C ATOM 0 H LEU A 113 7.818 8.395 -19.355 1.00 0.00 H new ATOM 0 HA LEU A 113 10.184 7.200 -18.288 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.266 9.152 -19.381 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.159 8.317 -20.452 1.00 0.00 H new ATOM 0 HG LEU A 113 8.868 10.511 -18.976 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.944 12.346 -20.244 1.00 0.00 H new ATOM 0 HD12 LEU A 113 11.086 11.539 -19.144 1.00 0.00 H new ATOM 0 HD13 LEU A 113 11.135 11.193 -20.889 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.055 11.098 -21.238 1.00 0.00 H new ATOM 0 HD22 LEU A 113 9.143 9.875 -21.938 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.811 9.374 -20.869 1.00 0.00 H new ATOM 1806 N ALA A 114 9.999 8.164 -15.957 1.00 0.00 N ATOM 1807 CA ALA A 114 10.232 8.759 -14.645 1.00 0.00 C ATOM 1808 C ALA A 114 11.568 9.539 -14.632 1.00 0.00 C ATOM 1809 O ALA A 114 12.583 8.988 -15.062 1.00 0.00 O ATOM 1810 CB ALA A 114 10.251 7.650 -13.586 1.00 0.00 C ATOM 1811 OXT ALA A 114 11.572 10.690 -14.197 1.00 0.00 O ATOM 0 H ALA A 114 9.934 7.146 -15.964 1.00 0.00 H new ATOM 0 HA ALA A 114 9.429 9.461 -14.421 1.00 0.00 H new ATOM 0 HB1 ALA A 114 10.425 8.088 -12.603 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.293 7.130 -13.587 1.00 0.00 H new ATOM 0 HB3 ALA A 114 11.048 6.943 -13.814 1.00 0.00 H new TER 1817 ALA A 114