USER MOD reduce.3.24.130724 H: found=0, std=0, add=921, rem=0, adj=34 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 25:sc= 1.38 USER MOD Set 1.2: A 103 CYS SG : rot -75:sc= -1.39! USER MOD Set 1.3: A 104 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.6) USER MOD Set 2.1: A 58 THR OG1 : rot 140:sc= -0.519 USER MOD Set 2.2: A 60 GLN : amide:sc= -0.696 K(o=-1.2,f=-4.6!) USER MOD Set 3.1: A 47 LYS NZ :NH3+ -179:sc= 1.54 (180deg=1.4) USER MOD Set 3.2: A 71 SER OG : rot 115:sc= -0.617 USER MOD Set 4.1: A 43 SER OG : rot 170:sc= 0.81 USER MOD Set 4.2: A 45 SER OG : rot -19:sc= 1.03 USER MOD Set 5.1: A 34 LYS NZ :NH3+ -179:sc= -0.689 (180deg=-1.11) USER MOD Set 5.2: A 107 THR OG1 : rot -120:sc= 0.545 USER MOD Set 6.1: A 27 GLN : amide:sc= -0.421 K(o=-3.5,f=-8.6!) USER MOD Set 6.2: A 32 MET CE :methyl -174:sc= -1.72 (180deg=-0.357) USER MOD Set 6.3: A 110 CYS SG : rot -149:sc= -1.4 USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0132 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot -51:sc= 0.284 USER MOD Single : A 13 LYS NZ :NH3+ 168:sc= 0.0806 (180deg=-0.0506) USER MOD Single : A 18 THR OG1 : rot -62:sc= 0.483 USER MOD Single : A 20 SER OG : rot 150:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0209) USER MOD Single : A 33 ASN : amide:sc= -1.49 K(o=-1.5,f=-0.64) USER MOD Single : A 37 SER OG : rot -92:sc= 0.726 USER MOD Single : A 46 ASN : amide:sc= -8.61! C(o=-8.6!,f=-12!) USER MOD Single : A 51 SER OG : rot 70:sc= 0.0935 USER MOD Single : A 53 SER OG : rot -150:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -131:sc= 1.19 (180deg=-0.259) USER MOD Single : A 59 THR OG1 : rot -27:sc= 0.604 USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= -0.707 (180deg=-1.47) USER MOD Single : A 66 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-3.1!) USER MOD Single : A 68 LYS NZ :NH3+ -159:sc= 1.12 (180deg=-0.0449) USER MOD Single : A 74 ASN : amide:sc=-0.000177 X(o=-0.00018,f=0.089) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 130: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= -0.232 USER MOD Single : A 89 GLN : amide:sc= -2.62 K(o=-2.6,f=-1.9) USER MOD Single : A 93 GLN : amide:sc= -0.591 K(o=-0.59,f=-1.4) USER MOD Single : A 94 HIS : no HD1:sc= -0.0451 X(o=-0.045,f=0) USER MOD Single : A 95 TYR OH : rot 30:sc= 0 USER MOD Single : A 96 SER OG : rot 59:sc= 1.23 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -146:sc= 0.878 (180deg=-1.4!) USER MOD Single : A 105 LYS NZ :NH3+ -161:sc= 0.665 (180deg=0.454) USER MOD Single : A 112 ASN : amide:sc= -2.38 K(o=-2.4,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -33.370 0.387 -7.820 1.00 0.00 N ATOM 2 CA GLY A 1 -33.014 -1.022 -7.950 1.00 0.00 C ATOM 3 C GLY A 1 -33.018 -1.748 -6.605 1.00 0.00 C ATOM 4 O GLY A 1 -33.814 -1.450 -5.724 1.00 0.00 O ATOM 0 H1 GLY A 1 -34.077 0.634 -8.541 1.00 0.00 H new ATOM 0 H2 GLY A 1 -33.766 0.559 -6.874 1.00 0.00 H new ATOM 0 H3 GLY A 1 -32.521 0.973 -7.952 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.715 -1.511 -8.626 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.026 -1.104 -8.402 1.00 0.00 H new ATOM 10 N SER A 2 -32.075 -2.706 -6.511 1.00 0.00 N ATOM 11 CA SER A 2 -31.918 -3.507 -5.303 1.00 0.00 C ATOM 12 C SER A 2 -31.017 -2.770 -4.295 1.00 0.00 C ATOM 13 O SER A 2 -30.809 -1.565 -4.362 1.00 0.00 O ATOM 14 CB SER A 2 -31.243 -4.854 -5.694 1.00 0.00 C ATOM 15 OG SER A 2 -29.772 -4.888 -5.892 1.00 0.00 O ATOM 0 H SER A 2 -31.419 -2.935 -7.258 1.00 0.00 H new ATOM 0 HA SER A 2 -32.893 -3.681 -4.848 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.488 -5.582 -4.921 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.708 -5.200 -6.617 1.00 0.00 H new ATOM 0 HG SER A 2 -29.495 -5.797 -6.131 1.00 0.00 H new ATOM 21 N VAL A 3 -30.501 -3.600 -3.366 1.00 0.00 N ATOM 22 CA VAL A 3 -29.587 -3.159 -2.321 1.00 0.00 C ATOM 23 C VAL A 3 -28.487 -4.224 -2.201 1.00 0.00 C ATOM 24 O VAL A 3 -28.756 -5.388 -1.925 1.00 0.00 O ATOM 25 CB VAL A 3 -30.328 -2.970 -0.985 1.00 0.00 C ATOM 26 CG1 VAL A 3 -29.375 -2.509 0.128 1.00 0.00 C ATOM 27 CG2 VAL A 3 -31.486 -1.970 -1.121 1.00 0.00 C ATOM 0 H VAL A 3 -30.714 -4.597 -3.329 1.00 0.00 H new ATOM 0 HA VAL A 3 -29.152 -2.192 -2.574 1.00 0.00 H new ATOM 0 HB VAL A 3 -30.737 -3.943 -0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -29.933 -2.386 1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -28.594 -3.255 0.270 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -28.922 -1.558 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -31.987 -1.861 -0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -31.096 -1.003 -1.439 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -32.198 -2.336 -1.861 1.00 0.00 H new ATOM 37 N ALA A 4 -27.246 -3.751 -2.427 1.00 0.00 N ATOM 38 CA ALA A 4 -26.094 -4.638 -2.372 1.00 0.00 C ATOM 39 C ALA A 4 -24.846 -3.805 -2.020 1.00 0.00 C ATOM 40 O ALA A 4 -24.815 -2.600 -2.241 1.00 0.00 O ATOM 41 CB ALA A 4 -25.935 -5.299 -3.751 1.00 0.00 C ATOM 0 H ALA A 4 -27.029 -2.778 -2.644 1.00 0.00 H new ATOM 0 HA ALA A 4 -26.224 -5.411 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -25.076 -5.970 -3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -26.835 -5.866 -3.988 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -25.781 -4.530 -4.508 1.00 0.00 H new ATOM 47 N PRO A 5 -23.812 -4.489 -1.450 1.00 0.00 N ATOM 48 CA PRO A 5 -22.557 -3.831 -1.088 1.00 0.00 C ATOM 49 C PRO A 5 -21.757 -3.459 -2.349 1.00 0.00 C ATOM 50 O PRO A 5 -21.595 -4.274 -3.248 1.00 0.00 O ATOM 51 CB PRO A 5 -21.802 -4.885 -0.268 1.00 0.00 C ATOM 52 CG PRO A 5 -22.379 -6.224 -0.729 1.00 0.00 C ATOM 53 CD PRO A 5 -23.825 -5.915 -1.116 1.00 0.00 C ATOM 0 HA PRO A 5 -22.716 -2.904 -0.537 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -20.728 -4.833 -0.449 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -21.952 -4.737 0.801 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -21.820 -6.625 -1.575 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -22.333 -6.969 0.065 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -24.148 -6.519 -1.964 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -24.510 -6.125 -0.295 1.00 0.00 H new ATOM 61 N VAL A 6 -21.308 -2.183 -2.354 1.00 0.00 N ATOM 62 CA VAL A 6 -20.530 -1.622 -3.457 1.00 0.00 C ATOM 63 C VAL A 6 -21.472 -1.294 -4.631 1.00 0.00 C ATOM 64 O VAL A 6 -21.867 -0.148 -4.811 1.00 0.00 O ATOM 65 CB VAL A 6 -19.299 -2.488 -3.837 1.00 0.00 C ATOM 66 CG1 VAL A 6 -18.476 -1.844 -4.955 1.00 0.00 C ATOM 67 CG2 VAL A 6 -18.399 -2.749 -2.620 1.00 0.00 C ATOM 0 H VAL A 6 -21.479 -1.525 -1.593 1.00 0.00 H new ATOM 0 HA VAL A 6 -20.079 -0.684 -3.132 1.00 0.00 H new ATOM 0 HB VAL A 6 -19.688 -3.440 -4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -17.624 -2.480 -5.192 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -19.098 -1.725 -5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -18.120 -0.867 -4.628 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -17.547 -3.358 -2.922 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -18.043 -1.799 -2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -18.968 -3.275 -1.853 1.00 0.00 H new ATOM 77 N GLU A 7 -21.767 -2.356 -5.425 1.00 0.00 N ATOM 78 CA GLU A 7 -22.649 -2.297 -6.598 1.00 0.00 C ATOM 79 C GLU A 7 -22.037 -1.530 -7.808 1.00 0.00 C ATOM 80 O GLU A 7 -22.500 -1.643 -8.936 1.00 0.00 O ATOM 81 CB GLU A 7 -24.027 -1.720 -6.177 1.00 0.00 C ATOM 82 CG GLU A 7 -25.154 -1.848 -7.218 1.00 0.00 C ATOM 83 CD GLU A 7 -25.692 -3.283 -7.327 1.00 0.00 C ATOM 84 OE1 GLU A 7 -25.052 -4.107 -7.981 1.00 0.00 O ATOM 85 OE2 GLU A 7 -26.750 -3.560 -6.762 1.00 0.00 O ATOM 0 H GLU A 7 -21.388 -3.288 -5.257 1.00 0.00 H new ATOM 0 HA GLU A 7 -22.780 -3.317 -6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -24.345 -2.220 -5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -23.899 -0.665 -5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -25.970 -1.177 -6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -24.784 -1.527 -8.192 1.00 0.00 H new ATOM 92 N THR A 8 -20.964 -0.767 -7.507 1.00 0.00 N ATOM 93 CA THR A 8 -20.268 0.099 -8.451 1.00 0.00 C ATOM 94 C THR A 8 -18.777 0.239 -8.082 1.00 0.00 C ATOM 95 O THR A 8 -18.418 0.296 -6.915 1.00 0.00 O ATOM 96 CB THR A 8 -20.926 1.483 -8.184 1.00 0.00 C ATOM 97 OG1 THR A 8 -21.033 1.894 -6.777 1.00 0.00 O ATOM 98 CG2 THR A 8 -22.285 1.574 -8.927 1.00 0.00 C ATOM 0 H THR A 8 -20.556 -0.744 -6.572 1.00 0.00 H new ATOM 0 HA THR A 8 -20.332 -0.274 -9.473 1.00 0.00 H new ATOM 0 HB THR A 8 -20.228 2.215 -8.591 1.00 0.00 H new ATOM 0 HG1 THR A 8 -21.452 1.177 -6.258 1.00 0.00 H new ATOM 0 HG21 THR A 8 -22.740 2.546 -8.735 1.00 0.00 H new ATOM 0 HG22 THR A 8 -22.123 1.454 -9.998 1.00 0.00 H new ATOM 0 HG23 THR A 8 -22.948 0.786 -8.570 1.00 0.00 H new ATOM 106 N LEU A 9 -17.945 0.310 -9.143 1.00 0.00 N ATOM 107 CA LEU A 9 -16.494 0.444 -8.981 1.00 0.00 C ATOM 108 C LEU A 9 -16.018 1.691 -9.763 1.00 0.00 C ATOM 109 O LEU A 9 -16.790 2.327 -10.471 1.00 0.00 O ATOM 110 CB LEU A 9 -15.816 -0.849 -9.479 1.00 0.00 C ATOM 111 CG LEU A 9 -16.260 -2.120 -8.724 1.00 0.00 C ATOM 112 CD1 LEU A 9 -15.846 -3.383 -9.485 1.00 0.00 C ATOM 113 CD2 LEU A 9 -15.692 -2.164 -7.298 1.00 0.00 C ATOM 0 H LEU A 9 -18.258 0.276 -10.113 1.00 0.00 H new ATOM 0 HA LEU A 9 -16.224 0.582 -7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.031 -0.975 -10.540 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.736 -0.741 -9.384 1.00 0.00 H new ATOM 0 HG LEU A 9 -17.347 -2.085 -8.657 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.171 -4.264 -8.932 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.310 -3.382 -10.471 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.762 -3.403 -9.595 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.028 -3.074 -6.801 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.603 -2.154 -7.340 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -16.042 -1.295 -6.740 1.00 0.00 H new ATOM 125 N GLU A 10 -14.708 1.994 -9.597 1.00 0.00 N ATOM 126 CA GLU A 10 -14.118 3.155 -10.266 1.00 0.00 C ATOM 127 C GLU A 10 -12.631 2.864 -10.576 1.00 0.00 C ATOM 128 O GLU A 10 -12.318 1.997 -11.382 1.00 0.00 O ATOM 129 CB GLU A 10 -14.365 4.444 -9.443 1.00 0.00 C ATOM 130 CG GLU A 10 -14.024 4.356 -7.937 1.00 0.00 C ATOM 131 CD GLU A 10 -15.174 3.749 -7.113 1.00 0.00 C ATOM 132 OE1 GLU A 10 -16.202 4.411 -6.969 1.00 0.00 O ATOM 133 OE2 GLU A 10 -15.029 2.628 -6.625 1.00 0.00 O ATOM 0 H GLU A 10 -14.061 1.459 -9.018 1.00 0.00 H new ATOM 0 HA GLU A 10 -14.604 3.336 -11.225 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -13.779 5.251 -9.882 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -15.414 4.721 -9.543 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.127 3.752 -7.805 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.796 5.353 -7.559 1.00 0.00 H new ATOM 140 N VAL A 11 -11.737 3.626 -9.899 1.00 0.00 N ATOM 141 CA VAL A 11 -10.282 3.496 -10.039 1.00 0.00 C ATOM 142 C VAL A 11 -9.733 2.338 -9.164 1.00 0.00 C ATOM 143 O VAL A 11 -8.541 2.240 -8.893 1.00 0.00 O ATOM 144 CB VAL A 11 -9.622 4.828 -9.625 1.00 0.00 C ATOM 145 CG1 VAL A 11 -10.069 5.984 -10.531 1.00 0.00 C ATOM 146 CG2 VAL A 11 -9.884 5.174 -8.146 1.00 0.00 C ATOM 0 H VAL A 11 -12.017 4.351 -9.238 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.047 3.266 -11.078 1.00 0.00 H new ATOM 0 HB VAL A 11 -8.548 4.690 -9.747 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.584 6.906 -10.210 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.790 5.767 -11.562 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.151 6.101 -10.465 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.400 6.120 -7.902 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -10.957 5.262 -7.978 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.481 4.385 -7.511 1.00 0.00 H new ATOM 156 N GLU A 12 -10.697 1.489 -8.754 1.00 0.00 N ATOM 157 CA GLU A 12 -10.522 0.328 -7.910 1.00 0.00 C ATOM 158 C GLU A 12 -9.345 -0.557 -8.327 1.00 0.00 C ATOM 159 O GLU A 12 -9.000 -0.755 -9.487 1.00 0.00 O ATOM 160 CB GLU A 12 -11.852 -0.452 -7.887 1.00 0.00 C ATOM 161 CG GLU A 12 -12.761 0.020 -6.741 1.00 0.00 C ATOM 162 CD GLU A 12 -12.368 -0.698 -5.435 1.00 0.00 C ATOM 163 OE1 GLU A 12 -11.308 -0.400 -4.883 1.00 0.00 O ATOM 164 OE2 GLU A 12 -13.115 -1.572 -4.996 1.00 0.00 O ATOM 0 H GLU A 12 -11.671 1.619 -9.029 1.00 0.00 H new ATOM 0 HA GLU A 12 -10.266 0.664 -6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -12.367 -0.323 -8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -11.649 -1.517 -7.777 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.672 1.099 -6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -13.803 -0.188 -6.982 1.00 0.00 H new ATOM 171 N LYS A 13 -8.786 -1.054 -7.212 1.00 0.00 N ATOM 172 CA LYS A 13 -7.666 -1.950 -7.108 1.00 0.00 C ATOM 173 C LYS A 13 -6.338 -1.237 -7.328 1.00 0.00 C ATOM 174 O LYS A 13 -5.452 -1.424 -6.503 1.00 0.00 O ATOM 175 CB LYS A 13 -7.898 -3.249 -7.853 1.00 0.00 C ATOM 176 CG LYS A 13 -9.212 -3.907 -7.416 1.00 0.00 C ATOM 177 CD LYS A 13 -9.402 -4.103 -5.908 1.00 0.00 C ATOM 178 CE LYS A 13 -10.725 -4.793 -5.572 1.00 0.00 C ATOM 179 NZ LYS A 13 -11.867 -3.935 -5.876 1.00 0.00 N ATOM 0 H LYS A 13 -9.151 -0.807 -6.292 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.578 -2.291 -6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.922 -3.058 -8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.067 -3.931 -7.670 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.039 -3.303 -7.790 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.285 -4.881 -7.900 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.576 -4.696 -5.514 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.364 -3.134 -5.411 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.806 -5.722 -6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.740 -5.060 -4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.743 -4.494 -5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.915 -3.162 -5.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.758 -3.537 -6.831 1.00 0.00 H new ATOM 193 N TRP A 14 -6.194 -0.411 -8.407 1.00 0.00 N ATOM 194 CA TRP A 14 -4.885 0.247 -8.521 1.00 0.00 C ATOM 195 C TRP A 14 -4.698 1.189 -7.322 1.00 0.00 C ATOM 196 O TRP A 14 -3.619 1.266 -6.757 1.00 0.00 O ATOM 197 CB TRP A 14 -4.508 0.869 -9.893 1.00 0.00 C ATOM 198 CG TRP A 14 -4.849 2.325 -10.216 1.00 0.00 C ATOM 199 CD1 TRP A 14 -5.703 2.743 -11.242 1.00 0.00 C ATOM 200 CD2 TRP A 14 -4.229 3.536 -9.707 1.00 0.00 C ATOM 201 NE1 TRP A 14 -5.622 4.091 -11.388 1.00 0.00 N ATOM 202 CE2 TRP A 14 -4.730 4.625 -10.469 1.00 0.00 C ATOM 203 CE3 TRP A 14 -3.319 3.789 -8.713 1.00 0.00 C ATOM 204 CZ2 TRP A 14 -4.295 5.907 -10.208 1.00 0.00 C ATOM 205 CZ3 TRP A 14 -2.901 5.090 -8.448 1.00 0.00 C ATOM 206 CH2 TRP A 14 -3.392 6.149 -9.194 1.00 0.00 C ATOM 0 H TRP A 14 -6.887 -0.208 -9.127 1.00 0.00 H new ATOM 0 HA TRP A 14 -4.143 -0.551 -8.485 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -3.430 0.760 -10.008 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -4.974 0.253 -10.662 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -6.332 2.092 -11.830 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -6.143 4.634 -12.076 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -2.923 2.971 -8.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.665 6.729 -10.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -2.190 5.275 -7.656 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.070 7.158 -8.983 1.00 0.00 H new ATOM 217 N PHE A 15 -5.822 1.847 -6.947 1.00 0.00 N ATOM 218 CA PHE A 15 -5.803 2.766 -5.815 1.00 0.00 C ATOM 219 C PHE A 15 -6.739 2.289 -4.688 1.00 0.00 C ATOM 220 O PHE A 15 -7.954 2.225 -4.826 1.00 0.00 O ATOM 221 CB PHE A 15 -6.157 4.183 -6.290 1.00 0.00 C ATOM 222 CG PHE A 15 -5.661 5.218 -5.318 1.00 0.00 C ATOM 223 CD1 PHE A 15 -4.292 5.416 -5.160 1.00 0.00 C ATOM 224 CD2 PHE A 15 -6.548 5.979 -4.563 1.00 0.00 C ATOM 225 CE1 PHE A 15 -3.818 6.362 -4.262 1.00 0.00 C ATOM 226 CE2 PHE A 15 -6.072 6.929 -3.666 1.00 0.00 C ATOM 227 CZ PHE A 15 -4.707 7.123 -3.517 1.00 0.00 C ATOM 0 H PHE A 15 -6.727 1.753 -7.408 1.00 0.00 H new ATOM 0 HA PHE A 15 -4.797 2.786 -5.396 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.718 4.361 -7.272 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -7.237 4.273 -6.403 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -3.595 4.830 -5.740 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -7.612 5.831 -4.674 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -2.754 6.506 -4.143 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -6.767 7.517 -3.084 1.00 0.00 H new ATOM 0 HZ PHE A 15 -4.337 7.864 -2.823 1.00 0.00 H new ATOM 237 N PHE A 16 -6.061 1.962 -3.568 1.00 0.00 N ATOM 238 CA PHE A 16 -6.672 1.511 -2.321 1.00 0.00 C ATOM 239 C PHE A 16 -6.097 2.403 -1.216 1.00 0.00 C ATOM 240 O PHE A 16 -5.007 2.940 -1.368 1.00 0.00 O ATOM 241 CB PHE A 16 -6.243 0.048 -1.998 1.00 0.00 C ATOM 242 CG PHE A 16 -7.272 -1.020 -2.292 1.00 0.00 C ATOM 243 CD1 PHE A 16 -8.626 -0.817 -2.028 1.00 0.00 C ATOM 244 CD2 PHE A 16 -6.865 -2.252 -2.803 1.00 0.00 C ATOM 245 CE1 PHE A 16 -9.554 -1.817 -2.277 1.00 0.00 C ATOM 246 CE2 PHE A 16 -7.797 -3.249 -3.070 1.00 0.00 C ATOM 247 CZ PHE A 16 -9.138 -3.033 -2.790 1.00 0.00 C ATOM 0 H PHE A 16 -5.043 2.009 -3.515 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.758 1.559 -2.397 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -5.340 -0.179 -2.564 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.980 -0.009 -0.942 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.956 0.129 -1.625 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -5.817 -2.433 -2.993 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.600 -1.647 -2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -7.477 -4.189 -3.494 1.00 0.00 H new ATOM 0 HZ PHE A 16 -9.859 -3.816 -2.973 1.00 0.00 H new ATOM 257 N ARG A 17 -6.873 2.534 -0.109 1.00 0.00 N ATOM 258 CA ARG A 17 -6.339 3.307 1.015 1.00 0.00 C ATOM 259 C ARG A 17 -5.071 2.626 1.519 1.00 0.00 C ATOM 260 O ARG A 17 -3.972 3.087 1.288 1.00 0.00 O ATOM 261 CB ARG A 17 -7.320 3.443 2.196 1.00 0.00 C ATOM 262 CG ARG A 17 -8.206 4.677 2.087 1.00 0.00 C ATOM 263 CD ARG A 17 -8.884 5.054 3.415 1.00 0.00 C ATOM 264 NE ARG A 17 -8.076 6.040 4.133 1.00 0.00 N ATOM 265 CZ ARG A 17 -7.128 5.753 5.051 1.00 0.00 C ATOM 266 NH1 ARG A 17 -6.911 4.512 5.466 1.00 0.00 N ATOM 267 NH2 ARG A 17 -6.396 6.739 5.552 1.00 0.00 N ATOM 0 H ARG A 17 -7.805 2.140 0.018 1.00 0.00 H new ATOM 0 HA ARG A 17 -6.147 4.313 0.641 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -7.948 2.553 2.245 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -6.756 3.487 3.128 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.605 5.518 1.741 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.972 4.501 1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.878 5.458 3.222 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.016 4.164 4.030 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.242 7.024 3.923 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.467 3.744 5.090 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.188 4.326 6.161 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.553 7.698 5.243 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.676 6.538 6.246 1.00 0.00 H new ATOM 281 N THR A 18 -5.323 1.499 2.200 1.00 0.00 N ATOM 282 CA THR A 18 -4.251 0.702 2.757 1.00 0.00 C ATOM 283 C THR A 18 -4.788 -0.679 3.122 1.00 0.00 C ATOM 284 O THR A 18 -5.246 -0.920 4.233 1.00 0.00 O ATOM 285 CB THR A 18 -3.606 1.285 4.063 1.00 0.00 C ATOM 286 OG1 THR A 18 -3.025 0.324 5.009 1.00 0.00 O ATOM 287 CG2 THR A 18 -4.524 2.343 4.748 1.00 0.00 C ATOM 0 H THR A 18 -6.259 1.131 2.371 1.00 0.00 H new ATOM 0 HA THR A 18 -3.483 0.683 1.983 1.00 0.00 H new ATOM 0 HB THR A 18 -2.717 1.796 3.693 1.00 0.00 H new ATOM 0 HG1 THR A 18 -3.728 -0.271 5.344 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.037 2.719 5.648 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.703 3.169 4.060 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.474 1.881 5.016 1.00 0.00 H new ATOM 295 N ILE A 19 -4.702 -1.566 2.117 1.00 0.00 N ATOM 296 CA ILE A 19 -5.079 -2.954 2.347 1.00 0.00 C ATOM 297 C ILE A 19 -3.827 -3.551 2.999 1.00 0.00 C ATOM 298 O ILE A 19 -2.780 -2.914 2.966 1.00 0.00 O ATOM 299 CB ILE A 19 -5.367 -3.605 0.991 1.00 0.00 C ATOM 300 CG1 ILE A 19 -6.251 -4.841 1.090 1.00 0.00 C ATOM 301 CG2 ILE A 19 -4.114 -3.870 0.164 1.00 0.00 C ATOM 302 CD1 ILE A 19 -6.468 -5.506 -0.280 1.00 0.00 C ATOM 0 H ILE A 19 -4.385 -1.350 1.172 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.966 -3.092 2.965 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.941 -2.856 0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.796 -5.558 1.773 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.216 -4.564 1.515 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.394 -4.332 -0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.600 -2.929 -0.029 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.451 -4.539 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.104 -6.383 -0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.948 -4.798 -0.956 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.506 -5.808 -0.694 1.00 0.00 H new ATOM 314 N SER A 20 -3.915 -4.760 3.584 1.00 0.00 N ATOM 315 CA SER A 20 -2.650 -5.231 4.167 1.00 0.00 C ATOM 316 C SER A 20 -1.687 -5.584 3.027 1.00 0.00 C ATOM 317 O SER A 20 -2.067 -5.827 1.889 1.00 0.00 O ATOM 318 CB SER A 20 -2.792 -6.455 5.120 1.00 0.00 C ATOM 319 OG SER A 20 -1.601 -7.058 5.787 1.00 0.00 O ATOM 0 H SER A 20 -4.735 -5.362 3.663 1.00 0.00 H new ATOM 0 HA SER A 20 -2.271 -4.417 4.785 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.486 -6.165 5.909 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.273 -7.249 4.549 1.00 0.00 H new ATOM 0 HG SER A 20 -1.868 -7.442 6.648 1.00 0.00 H new ATOM 325 N ARG A 21 -0.410 -5.594 3.426 1.00 0.00 N ATOM 326 CA ARG A 21 0.676 -5.887 2.509 1.00 0.00 C ATOM 327 C ARG A 21 0.405 -7.167 1.701 1.00 0.00 C ATOM 328 O ARG A 21 0.500 -7.144 0.483 1.00 0.00 O ATOM 329 CB ARG A 21 2.011 -5.980 3.277 1.00 0.00 C ATOM 330 CG ARG A 21 3.228 -5.756 2.362 1.00 0.00 C ATOM 331 CD ARG A 21 3.865 -4.363 2.485 1.00 0.00 C ATOM 332 NE ARG A 21 4.628 -4.277 3.728 1.00 0.00 N ATOM 333 CZ ARG A 21 5.475 -3.263 4.005 1.00 0.00 C ATOM 334 NH1 ARG A 21 5.638 -2.250 3.160 1.00 0.00 N ATOM 335 NH2 ARG A 21 6.156 -3.280 5.143 1.00 0.00 N ATOM 0 H ARG A 21 -0.112 -5.401 4.382 1.00 0.00 H new ATOM 0 HA ARG A 21 0.746 -5.068 1.793 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.020 -5.240 4.077 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.089 -6.960 3.748 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.982 -6.509 2.590 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.923 -5.913 1.327 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.518 -4.175 1.633 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.091 -3.596 2.469 1.00 0.00 H new ATOM 0 HE ARG A 21 4.515 -5.018 4.419 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.118 -2.229 2.283 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.283 -1.494 3.389 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.037 -4.053 5.797 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.799 -2.520 5.364 1.00 0.00 H new ATOM 349 N LYS A 22 0.031 -8.257 2.418 1.00 0.00 N ATOM 350 CA LYS A 22 -0.220 -9.512 1.705 1.00 0.00 C ATOM 351 C LYS A 22 -1.575 -9.574 1.007 1.00 0.00 C ATOM 352 O LYS A 22 -1.815 -10.443 0.182 1.00 0.00 O ATOM 353 CB LYS A 22 -0.112 -10.748 2.603 1.00 0.00 C ATOM 354 CG LYS A 22 -1.303 -11.053 3.524 1.00 0.00 C ATOM 355 CD LYS A 22 -1.550 -9.954 4.534 1.00 0.00 C ATOM 356 CE LYS A 22 -2.726 -10.230 5.476 1.00 0.00 C ATOM 357 NZ LYS A 22 -2.525 -11.404 6.321 1.00 0.00 N ATOM 0 H LYS A 22 -0.095 -8.287 3.430 1.00 0.00 H new ATOM 0 HA LYS A 22 0.569 -9.523 0.953 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.052 -11.616 1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.776 -10.637 3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.199 -11.195 2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.121 -11.991 4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.647 -9.810 5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.734 -9.020 4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.887 -9.358 6.110 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.632 -10.367 4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.331 -11.507 6.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.450 -12.252 5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.650 -11.290 6.872 1.00 0.00 H new ATOM 371 N ASP A 23 -2.452 -8.634 1.399 1.00 0.00 N ATOM 372 CA ASP A 23 -3.788 -8.626 0.826 1.00 0.00 C ATOM 373 C ASP A 23 -3.763 -8.105 -0.605 1.00 0.00 C ATOM 374 O ASP A 23 -4.505 -8.533 -1.475 1.00 0.00 O ATOM 375 CB ASP A 23 -4.752 -7.764 1.651 1.00 0.00 C ATOM 376 CG ASP A 23 -5.244 -8.442 2.939 1.00 0.00 C ATOM 377 OD1 ASP A 23 -5.227 -9.671 3.019 1.00 0.00 O ATOM 378 OD2 ASP A 23 -5.666 -7.728 3.845 1.00 0.00 O ATOM 0 H ASP A 23 -2.262 -7.902 2.083 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.140 -9.657 0.835 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.256 -6.829 1.911 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.614 -7.508 1.035 1.00 0.00 H new ATOM 383 N ALA A 24 -2.855 -7.147 -0.784 1.00 0.00 N ATOM 384 CA ALA A 24 -2.667 -6.558 -2.097 1.00 0.00 C ATOM 385 C ALA A 24 -1.960 -7.558 -3.025 1.00 0.00 C ATOM 386 O ALA A 24 -2.123 -7.536 -4.239 1.00 0.00 O ATOM 387 CB ALA A 24 -1.868 -5.286 -1.918 1.00 0.00 C ATOM 0 H ALA A 24 -2.253 -6.773 -0.051 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.623 -6.318 -2.563 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.708 -4.817 -2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.415 -4.601 -1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.904 -5.522 -1.466 1.00 0.00 H new ATOM 393 N GLU A 25 -1.190 -8.444 -2.358 1.00 0.00 N ATOM 394 CA GLU A 25 -0.482 -9.489 -3.058 1.00 0.00 C ATOM 395 C GLU A 25 -1.430 -10.678 -3.267 1.00 0.00 C ATOM 396 O GLU A 25 -1.182 -11.505 -4.123 1.00 0.00 O ATOM 397 CB GLU A 25 0.751 -9.979 -2.277 1.00 0.00 C ATOM 398 CG GLU A 25 1.802 -8.900 -1.956 1.00 0.00 C ATOM 399 CD GLU A 25 3.207 -9.507 -1.753 1.00 0.00 C ATOM 400 OE1 GLU A 25 3.341 -10.425 -0.944 1.00 0.00 O ATOM 401 OE2 GLU A 25 4.149 -9.057 -2.405 1.00 0.00 O ATOM 0 H GLU A 25 -1.056 -8.441 -1.347 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.141 -9.079 -4.009 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.414 -10.423 -1.341 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.232 -10.771 -2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.835 -8.172 -2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.506 -8.361 -1.056 1.00 0.00 H new ATOM 408 N ARG A 26 -2.535 -10.734 -2.480 1.00 0.00 N ATOM 409 CA ARG A 26 -3.457 -11.861 -2.630 1.00 0.00 C ATOM 410 C ARG A 26 -4.220 -11.729 -3.955 1.00 0.00 C ATOM 411 O ARG A 26 -4.521 -12.701 -4.636 1.00 0.00 O ATOM 412 CB ARG A 26 -4.437 -11.957 -1.434 1.00 0.00 C ATOM 413 CG ARG A 26 -5.788 -11.203 -1.524 1.00 0.00 C ATOM 414 CD ARG A 26 -6.363 -10.763 -0.173 1.00 0.00 C ATOM 415 NE ARG A 26 -7.818 -10.733 -0.239 1.00 0.00 N ATOM 416 CZ ARG A 26 -8.575 -10.380 0.819 1.00 0.00 C ATOM 417 NH1 ARG A 26 -8.026 -10.045 1.981 1.00 0.00 N ATOM 418 NH2 ARG A 26 -9.895 -10.374 0.704 1.00 0.00 N ATOM 0 H ARG A 26 -2.791 -10.045 -1.773 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.876 -12.783 -2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.656 -13.012 -1.269 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.915 -11.597 -0.547 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.657 -10.322 -2.153 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -6.515 -11.845 -2.022 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -6.040 -11.449 0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.982 -9.776 0.090 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.278 -10.987 -1.113 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.011 -10.051 2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.619 -9.781 2.768 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -10.331 -10.635 -0.180 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.475 -10.108 1.500 1.00 0.00 H new ATOM 432 N GLN A 27 -4.480 -10.436 -4.257 1.00 0.00 N ATOM 433 CA GLN A 27 -5.216 -10.096 -5.468 1.00 0.00 C ATOM 434 C GLN A 27 -4.354 -10.251 -6.730 1.00 0.00 C ATOM 435 O GLN A 27 -4.849 -10.656 -7.776 1.00 0.00 O ATOM 436 CB GLN A 27 -5.816 -8.684 -5.367 1.00 0.00 C ATOM 437 CG GLN A 27 -6.758 -8.533 -4.157 1.00 0.00 C ATOM 438 CD GLN A 27 -7.765 -7.379 -4.318 1.00 0.00 C ATOM 439 OE1 GLN A 27 -8.204 -7.049 -5.411 1.00 0.00 O ATOM 440 NE2 GLN A 27 -8.118 -6.806 -3.155 1.00 0.00 N ATOM 0 H GLN A 27 -4.194 -9.639 -3.688 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.038 -10.806 -5.559 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.010 -7.954 -5.290 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -6.364 -8.459 -6.282 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.303 -9.465 -4.009 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -6.163 -8.366 -3.259 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -7.710 -7.134 -2.280 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.794 -6.043 -3.147 1.00 0.00 H new ATOM 449 N LEU A 28 -3.046 -9.928 -6.577 1.00 0.00 N ATOM 450 CA LEU A 28 -2.166 -10.045 -7.732 1.00 0.00 C ATOM 451 C LEU A 28 -1.729 -11.514 -7.945 1.00 0.00 C ATOM 452 O LEU A 28 -1.856 -12.020 -9.046 1.00 0.00 O ATOM 453 CB LEU A 28 -1.072 -8.979 -7.676 1.00 0.00 C ATOM 454 CG LEU A 28 -1.685 -7.577 -7.605 1.00 0.00 C ATOM 455 CD1 LEU A 28 -0.586 -6.549 -7.355 1.00 0.00 C ATOM 456 CD2 LEU A 28 -2.491 -7.240 -8.872 1.00 0.00 C ATOM 0 H LEU A 28 -2.610 -9.604 -5.713 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.693 -9.815 -8.658 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.437 -9.148 -6.806 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.435 -9.058 -8.557 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.389 -7.551 -6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.025 -5.552 -7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.086 -6.773 -6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.139 -6.586 -8.168 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.909 -6.237 -8.781 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.836 -7.283 -9.742 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.300 -7.961 -8.991 1.00 0.00 H new ATOM 468 N LEU A 29 -1.294 -12.203 -6.859 1.00 0.00 N ATOM 469 CA LEU A 29 -0.880 -13.612 -6.929 1.00 0.00 C ATOM 470 C LEU A 29 -2.008 -14.531 -7.462 1.00 0.00 C ATOM 471 O LEU A 29 -1.760 -15.677 -7.819 1.00 0.00 O ATOM 472 CB LEU A 29 -0.473 -14.107 -5.535 1.00 0.00 C ATOM 473 CG LEU A 29 0.844 -13.506 -5.024 1.00 0.00 C ATOM 474 CD1 LEU A 29 0.941 -13.681 -3.511 1.00 0.00 C ATOM 475 CD2 LEU A 29 2.052 -14.140 -5.734 1.00 0.00 C ATOM 0 H LEU A 29 -1.224 -11.797 -5.926 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.039 -13.660 -7.621 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.268 -13.869 -4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.381 -15.193 -5.558 1.00 0.00 H new ATOM 0 HG LEU A 29 0.854 -12.440 -5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.878 -13.253 -3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.104 -13.173 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.911 -14.742 -3.265 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.972 -13.696 -5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.062 -15.214 -5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.979 -13.960 -6.807 1.00 0.00 H new ATOM 487 N ALA A 30 -3.248 -13.995 -7.480 1.00 0.00 N ATOM 488 CA ALA A 30 -4.371 -14.764 -7.988 1.00 0.00 C ATOM 489 C ALA A 30 -4.233 -14.915 -9.521 1.00 0.00 C ATOM 490 O ALA A 30 -3.723 -14.032 -10.204 1.00 0.00 O ATOM 491 CB ALA A 30 -5.672 -14.024 -7.653 1.00 0.00 C ATOM 0 H ALA A 30 -3.479 -13.056 -7.155 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.386 -15.753 -7.530 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.522 -14.593 -8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.760 -13.914 -6.572 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.660 -13.038 -8.118 1.00 0.00 H new ATOM 497 N PRO A 31 -4.729 -16.073 -10.045 1.00 0.00 N ATOM 498 CA PRO A 31 -4.689 -16.374 -11.480 1.00 0.00 C ATOM 499 C PRO A 31 -5.624 -15.504 -12.357 1.00 0.00 C ATOM 500 O PRO A 31 -5.764 -15.729 -13.553 1.00 0.00 O ATOM 501 CB PRO A 31 -5.086 -17.855 -11.561 1.00 0.00 C ATOM 502 CG PRO A 31 -5.883 -18.107 -10.283 1.00 0.00 C ATOM 503 CD PRO A 31 -5.285 -17.164 -9.253 1.00 0.00 C ATOM 0 HA PRO A 31 -3.699 -16.154 -11.880 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.685 -18.057 -12.449 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.208 -18.499 -11.615 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -6.944 -17.906 -10.433 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -5.798 -19.146 -9.963 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.042 -16.804 -8.556 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.515 -17.658 -8.660 1.00 0.00 H new ATOM 511 N MET A 32 -6.253 -14.513 -11.690 1.00 0.00 N ATOM 512 CA MET A 32 -7.169 -13.563 -12.283 1.00 0.00 C ATOM 513 C MET A 32 -6.524 -12.750 -13.430 1.00 0.00 C ATOM 514 O MET A 32 -7.149 -12.502 -14.454 1.00 0.00 O ATOM 515 CB MET A 32 -7.592 -12.661 -11.119 1.00 0.00 C ATOM 516 CG MET A 32 -8.618 -13.312 -10.174 1.00 0.00 C ATOM 517 SD MET A 32 -8.470 -12.735 -8.467 1.00 0.00 S ATOM 518 CE MET A 32 -8.709 -10.964 -8.675 1.00 0.00 C ATOM 0 H MET A 32 -6.121 -14.362 -10.690 1.00 0.00 H new ATOM 0 HA MET A 32 -8.016 -14.064 -12.752 1.00 0.00 H new ATOM 0 HB2 MET A 32 -6.707 -12.384 -10.545 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.014 -11.739 -11.520 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.624 -13.101 -10.537 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.491 -14.394 -10.198 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.539 -10.460 -7.724 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.005 -10.586 -9.416 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.728 -10.771 -9.011 1.00 0.00 H new ATOM 528 N ASN A 33 -5.249 -12.359 -13.187 1.00 0.00 N ATOM 529 CA ASN A 33 -4.480 -11.572 -14.159 1.00 0.00 C ATOM 530 C ASN A 33 -3.042 -12.128 -14.282 1.00 0.00 C ATOM 531 O ASN A 33 -2.767 -13.286 -13.993 1.00 0.00 O ATOM 532 CB ASN A 33 -4.463 -10.084 -13.729 1.00 0.00 C ATOM 533 CG ASN A 33 -5.869 -9.485 -13.685 1.00 0.00 C ATOM 534 OD1 ASN A 33 -6.325 -8.845 -14.623 1.00 0.00 O ATOM 535 ND2 ASN A 33 -6.511 -9.713 -12.533 1.00 0.00 N ATOM 0 H ASN A 33 -4.742 -12.578 -12.330 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.954 -11.646 -15.138 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -4.000 -9.996 -12.746 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -3.847 -9.513 -14.424 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.450 -9.342 -12.391 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -6.061 -10.258 -11.797 1.00 0.00 H new ATOM 542 N LYS A 34 -2.154 -11.217 -14.721 1.00 0.00 N ATOM 543 CA LYS A 34 -0.733 -11.464 -14.912 1.00 0.00 C ATOM 544 C LYS A 34 0.034 -10.137 -14.766 1.00 0.00 C ATOM 545 O LYS A 34 -0.546 -9.061 -14.835 1.00 0.00 O ATOM 546 CB LYS A 34 -0.430 -12.166 -16.246 1.00 0.00 C ATOM 547 CG LYS A 34 -1.404 -11.853 -17.382 1.00 0.00 C ATOM 548 CD LYS A 34 -1.515 -10.369 -17.732 1.00 0.00 C ATOM 549 CE LYS A 34 -0.323 -9.829 -18.521 1.00 0.00 C ATOM 550 NZ LYS A 34 -0.715 -8.712 -19.369 1.00 0.00 N ATOM 0 H LYS A 34 -2.425 -10.262 -14.957 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.394 -12.156 -14.141 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.575 -11.889 -16.564 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.426 -13.243 -16.079 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.093 -12.401 -18.272 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.392 -12.224 -17.109 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.424 -10.209 -18.311 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.619 -9.795 -16.811 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.458 -9.509 -17.831 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.100 -10.624 -19.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.111 -8.377 -19.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.455 -9.022 -20.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.081 -7.939 -18.777 1.00 0.00 H new ATOM 564 N ALA A 35 1.353 -10.307 -14.553 1.00 0.00 N ATOM 565 CA ALA A 35 2.365 -9.259 -14.400 1.00 0.00 C ATOM 566 C ALA A 35 1.966 -7.993 -15.180 1.00 0.00 C ATOM 567 O ALA A 35 1.882 -7.980 -16.402 1.00 0.00 O ATOM 568 CB ALA A 35 3.707 -9.804 -14.897 1.00 0.00 C ATOM 0 H ALA A 35 1.759 -11.240 -14.480 1.00 0.00 H new ATOM 0 HA ALA A 35 2.448 -8.979 -13.350 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.473 -9.036 -14.791 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.985 -10.678 -14.309 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.619 -10.086 -15.946 1.00 0.00 H new ATOM 574 N GLY A 36 1.696 -6.953 -14.368 1.00 0.00 N ATOM 575 CA GLY A 36 1.243 -5.675 -14.880 1.00 0.00 C ATOM 576 C GLY A 36 -0.045 -5.253 -14.177 1.00 0.00 C ATOM 577 O GLY A 36 -0.385 -4.083 -14.064 1.00 0.00 O ATOM 0 H GLY A 36 1.789 -6.988 -13.353 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.014 -4.920 -14.727 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.074 -5.745 -15.955 1.00 0.00 H new ATOM 581 N SER A 37 -0.733 -6.292 -13.677 1.00 0.00 N ATOM 582 CA SER A 37 -1.893 -6.083 -12.829 1.00 0.00 C ATOM 583 C SER A 37 -1.251 -5.595 -11.509 1.00 0.00 C ATOM 584 O SER A 37 -0.414 -6.287 -10.934 1.00 0.00 O ATOM 585 CB SER A 37 -2.583 -7.467 -12.656 1.00 0.00 C ATOM 586 OG SER A 37 -1.716 -8.652 -12.456 1.00 0.00 O ATOM 0 H SER A 37 -0.501 -7.270 -13.849 1.00 0.00 H new ATOM 0 HA SER A 37 -2.643 -5.384 -13.199 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.260 -7.400 -11.804 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.198 -7.647 -13.538 1.00 0.00 H new ATOM 0 HG SER A 37 -1.521 -9.065 -13.323 1.00 0.00 H new ATOM 592 N PHE A 38 -1.637 -4.352 -11.117 1.00 0.00 N ATOM 593 CA PHE A 38 -1.060 -3.700 -9.939 1.00 0.00 C ATOM 594 C PHE A 38 -2.162 -3.296 -8.900 1.00 0.00 C ATOM 595 O PHE A 38 -3.364 -3.427 -9.105 1.00 0.00 O ATOM 596 CB PHE A 38 -0.368 -2.376 -10.411 1.00 0.00 C ATOM 597 CG PHE A 38 1.002 -2.414 -11.064 1.00 0.00 C ATOM 598 CD1 PHE A 38 1.487 -3.444 -11.856 1.00 0.00 C ATOM 599 CD2 PHE A 38 1.842 -1.325 -10.862 1.00 0.00 C ATOM 600 CE1 PHE A 38 2.756 -3.361 -12.428 1.00 0.00 C ATOM 601 CE2 PHE A 38 3.138 -1.272 -11.356 1.00 0.00 C ATOM 602 CZ PHE A 38 3.600 -2.297 -12.165 1.00 0.00 C ATOM 0 H PHE A 38 -2.340 -3.796 -11.603 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.366 -4.397 -9.470 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.046 -1.891 -11.113 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.292 -1.725 -9.540 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.877 -4.318 -12.031 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.470 -0.484 -10.296 1.00 0.00 H new ATOM 0 HE1 PHE A 38 3.088 -4.146 -13.092 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.780 -0.439 -11.112 1.00 0.00 H new ATOM 0 HZ PHE A 38 4.596 -2.266 -12.581 1.00 0.00 H new ATOM 612 N LEU A 39 -1.574 -2.768 -7.791 1.00 0.00 N ATOM 613 CA LEU A 39 -2.095 -2.210 -6.535 1.00 0.00 C ATOM 614 C LEU A 39 -1.224 -1.021 -6.124 1.00 0.00 C ATOM 615 O LEU A 39 -0.102 -0.937 -6.579 1.00 0.00 O ATOM 616 CB LEU A 39 -1.829 -3.196 -5.380 1.00 0.00 C ATOM 617 CG LEU A 39 -2.883 -4.236 -5.036 1.00 0.00 C ATOM 618 CD1 LEU A 39 -3.740 -3.586 -3.958 1.00 0.00 C ATOM 619 CD2 LEU A 39 -3.771 -4.750 -6.152 1.00 0.00 C ATOM 0 H LEU A 39 -0.555 -2.724 -7.770 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.148 -1.977 -6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.905 -3.728 -5.609 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.644 -2.607 -4.482 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.350 -5.139 -4.738 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.528 -4.276 -3.654 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.118 -3.343 -3.096 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.188 -2.673 -4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.470 -5.484 -5.752 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.327 -3.919 -6.587 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.155 -5.217 -6.921 1.00 0.00 H new ATOM 631 N ILE A 40 -1.743 -0.140 -5.224 1.00 0.00 N ATOM 632 CA ILE A 40 -0.848 0.925 -4.750 1.00 0.00 C ATOM 633 C ILE A 40 -1.527 1.232 -3.363 1.00 0.00 C ATOM 634 O ILE A 40 -2.424 2.054 -3.230 1.00 0.00 O ATOM 635 CB ILE A 40 -0.755 2.074 -5.816 1.00 0.00 C ATOM 636 CG1 ILE A 40 0.605 2.797 -5.889 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.656 3.241 -5.467 1.00 0.00 C ATOM 638 CD1 ILE A 40 0.843 3.344 -7.326 1.00 0.00 C ATOM 0 H ILE A 40 -2.691 -0.146 -4.846 1.00 0.00 H new ATOM 0 HA ILE A 40 0.212 0.707 -4.620 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.997 1.535 -6.732 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.629 3.617 -5.171 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.406 2.110 -5.616 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.562 4.014 -6.230 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.691 2.901 -5.421 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.365 3.649 -4.499 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.806 3.853 -7.367 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.839 2.517 -8.036 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.050 4.046 -7.584 1.00 0.00 H new ATOM 650 N ARG A 41 -1.106 0.445 -2.347 1.00 0.00 N ATOM 651 CA ARG A 41 -1.675 0.542 -1.008 1.00 0.00 C ATOM 652 C ARG A 41 -0.803 1.440 -0.107 1.00 0.00 C ATOM 653 O ARG A 41 0.402 1.257 -0.033 1.00 0.00 O ATOM 654 CB ARG A 41 -1.858 -0.902 -0.509 1.00 0.00 C ATOM 655 CG ARG A 41 -0.658 -1.580 0.177 1.00 0.00 C ATOM 656 CD ARG A 41 -0.562 -1.183 1.654 1.00 0.00 C ATOM 657 NE ARG A 41 0.222 -2.134 2.424 1.00 0.00 N ATOM 658 CZ ARG A 41 0.367 -1.969 3.756 1.00 0.00 C ATOM 659 NH1 ARG A 41 -0.169 -0.933 4.386 1.00 0.00 N ATOM 660 NH2 ARG A 41 1.061 -2.856 4.453 1.00 0.00 N ATOM 0 H ARG A 41 -0.375 -0.260 -2.441 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.648 1.033 -0.997 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.694 -0.912 0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.149 -1.517 -1.361 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.754 -2.663 0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.262 -1.302 -0.337 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.113 -0.193 1.735 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.564 -1.113 2.076 1.00 0.00 H new ATOM 0 HE ARG A 41 0.663 -2.927 1.958 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.704 -0.240 3.863 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.046 -0.829 5.393 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.482 -3.657 3.983 1.00 0.00 H new ATOM 0 HH22 ARG A 41 1.175 -2.738 5.460 1.00 0.00 H new ATOM 674 N GLU A 42 -1.456 2.401 0.587 1.00 0.00 N ATOM 675 CA GLU A 42 -0.704 3.314 1.462 1.00 0.00 C ATOM 676 C GLU A 42 -0.062 2.583 2.633 1.00 0.00 C ATOM 677 O GLU A 42 -0.540 1.566 3.115 1.00 0.00 O ATOM 678 CB GLU A 42 -1.491 4.521 2.056 1.00 0.00 C ATOM 679 CG GLU A 42 -2.202 4.350 3.419 1.00 0.00 C ATOM 680 CD GLU A 42 -2.669 5.687 4.004 1.00 0.00 C ATOM 681 OE1 GLU A 42 -1.877 6.351 4.667 1.00 0.00 O ATOM 682 OE2 GLU A 42 -3.828 6.039 3.798 1.00 0.00 O ATOM 0 H GLU A 42 -2.464 2.558 0.558 1.00 0.00 H new ATOM 0 HA GLU A 42 0.035 3.720 0.771 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.795 5.355 2.149 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.245 4.815 1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.061 3.689 3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.524 3.866 4.122 1.00 0.00 H new ATOM 689 N SER A 43 1.060 3.188 3.054 1.00 0.00 N ATOM 690 CA SER A 43 1.723 2.678 4.240 1.00 0.00 C ATOM 691 C SER A 43 0.858 3.219 5.396 1.00 0.00 C ATOM 692 O SER A 43 0.603 4.408 5.468 1.00 0.00 O ATOM 693 CB SER A 43 3.123 3.332 4.375 1.00 0.00 C ATOM 694 OG SER A 43 3.789 3.404 5.697 1.00 0.00 O ATOM 0 H SER A 43 1.502 3.992 2.609 1.00 0.00 H new ATOM 0 HA SER A 43 1.834 1.594 4.221 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.795 2.798 3.703 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.041 4.352 3.999 1.00 0.00 H new ATOM 0 HG SER A 43 4.718 3.695 5.580 1.00 0.00 H new ATOM 700 N GLU A 44 0.395 2.343 6.289 1.00 0.00 N ATOM 701 CA GLU A 44 -0.474 2.844 7.357 1.00 0.00 C ATOM 702 C GLU A 44 0.309 3.477 8.550 1.00 0.00 C ATOM 703 O GLU A 44 -0.182 3.534 9.670 1.00 0.00 O ATOM 704 CB GLU A 44 -1.433 1.726 7.785 1.00 0.00 C ATOM 705 CG GLU A 44 -0.853 0.299 7.735 1.00 0.00 C ATOM 706 CD GLU A 44 0.413 0.117 8.585 1.00 0.00 C ATOM 707 OE1 GLU A 44 0.303 0.090 9.810 1.00 0.00 O ATOM 708 OE2 GLU A 44 1.492 -0.010 8.005 1.00 0.00 O ATOM 0 H GLU A 44 0.590 1.342 6.301 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.060 3.675 6.964 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.768 1.928 8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.315 1.763 7.146 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.613 -0.405 8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.625 0.045 6.700 1.00 0.00 H new ATOM 715 N SER A 45 1.532 3.962 8.235 1.00 0.00 N ATOM 716 CA SER A 45 2.438 4.582 9.205 1.00 0.00 C ATOM 717 C SER A 45 3.217 5.776 8.605 1.00 0.00 C ATOM 718 O SER A 45 3.988 6.439 9.288 1.00 0.00 O ATOM 719 CB SER A 45 3.525 3.515 9.506 1.00 0.00 C ATOM 720 OG SER A 45 4.397 3.094 8.373 1.00 0.00 O ATOM 0 H SER A 45 1.913 3.929 7.289 1.00 0.00 H new ATOM 0 HA SER A 45 1.853 4.920 10.060 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.165 3.899 10.300 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.028 2.628 9.898 1.00 0.00 H new ATOM 0 HG SER A 45 3.965 3.325 7.524 1.00 0.00 H new ATOM 726 N ASN A 46 2.989 6.002 7.300 1.00 0.00 N ATOM 727 CA ASN A 46 3.691 7.025 6.537 1.00 0.00 C ATOM 728 C ASN A 46 3.157 8.454 6.656 1.00 0.00 C ATOM 729 O ASN A 46 2.200 8.778 7.350 1.00 0.00 O ATOM 730 CB ASN A 46 3.493 6.668 5.051 1.00 0.00 C ATOM 731 CG ASN A 46 2.004 6.596 4.567 1.00 0.00 C ATOM 732 OD1 ASN A 46 1.735 6.104 3.488 1.00 0.00 O ATOM 733 ND2 ASN A 46 1.035 7.082 5.358 1.00 0.00 N ATOM 0 H ASN A 46 2.310 5.475 6.752 1.00 0.00 H new ATOM 0 HA ASN A 46 4.711 7.025 6.922 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.018 7.406 4.445 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.966 5.704 4.861 1.00 0.00 H new ATOM 0 HD21 ASN A 46 0.062 7.041 5.056 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.272 7.493 6.261 1.00 0.00 H new ATOM 740 N LYS A 47 3.906 9.257 5.867 1.00 0.00 N ATOM 741 CA LYS A 47 3.654 10.643 5.572 1.00 0.00 C ATOM 742 C LYS A 47 3.006 10.820 4.184 1.00 0.00 C ATOM 743 O LYS A 47 3.347 11.716 3.421 1.00 0.00 O ATOM 744 CB LYS A 47 4.829 11.541 5.944 1.00 0.00 C ATOM 745 CG LYS A 47 6.182 10.922 5.612 1.00 0.00 C ATOM 746 CD LYS A 47 6.350 10.619 4.125 1.00 0.00 C ATOM 747 CE LYS A 47 6.510 11.889 3.277 1.00 0.00 C ATOM 748 NZ LYS A 47 5.803 11.822 2.010 1.00 0.00 N ATOM 0 H LYS A 47 4.747 8.913 5.403 1.00 0.00 H new ATOM 0 HA LYS A 47 2.880 11.025 6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.732 12.492 5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.788 11.760 7.011 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.974 11.600 5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.303 10.000 6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.222 9.981 3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.484 10.058 3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.146 12.746 3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.569 12.060 3.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.963 12.700 1.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.154 11.013 1.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.785 11.705 2.186 1.00 0.00 H new ATOM 762 N GLY A 48 2.069 9.888 3.914 1.00 0.00 N ATOM 763 CA GLY A 48 1.321 9.839 2.663 1.00 0.00 C ATOM 764 C GLY A 48 1.992 8.988 1.571 1.00 0.00 C ATOM 765 O GLY A 48 1.734 9.166 0.386 1.00 0.00 O ATOM 0 H GLY A 48 1.816 9.148 4.569 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.326 9.440 2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.189 10.854 2.289 1.00 0.00 H new ATOM 769 N ALA A 49 2.836 8.034 2.028 1.00 0.00 N ATOM 770 CA ALA A 49 3.521 7.157 1.063 1.00 0.00 C ATOM 771 C ALA A 49 2.585 6.023 0.559 1.00 0.00 C ATOM 772 O ALA A 49 1.464 5.850 1.016 1.00 0.00 O ATOM 773 CB ALA A 49 4.795 6.597 1.709 1.00 0.00 C ATOM 0 H ALA A 49 3.049 7.859 3.010 1.00 0.00 H new ATOM 0 HA ALA A 49 3.798 7.740 0.185 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.307 5.947 1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.453 7.420 1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.531 6.026 2.599 1.00 0.00 H new ATOM 779 N PHE A 50 3.104 5.280 -0.439 1.00 0.00 N ATOM 780 CA PHE A 50 2.332 4.211 -1.074 1.00 0.00 C ATOM 781 C PHE A 50 3.255 3.000 -1.375 1.00 0.00 C ATOM 782 O PHE A 50 4.470 3.131 -1.451 1.00 0.00 O ATOM 783 CB PHE A 50 1.555 4.818 -2.273 1.00 0.00 C ATOM 784 CG PHE A 50 0.211 5.363 -1.867 1.00 0.00 C ATOM 785 CD1 PHE A 50 -0.905 4.541 -1.872 1.00 0.00 C ATOM 786 CD2 PHE A 50 0.063 6.688 -1.466 1.00 0.00 C ATOM 787 CE1 PHE A 50 -2.145 5.024 -1.483 1.00 0.00 C ATOM 788 CE2 PHE A 50 -1.172 7.177 -1.067 1.00 0.00 C ATOM 789 CZ PHE A 50 -2.280 6.344 -1.079 1.00 0.00 C ATOM 0 H PHE A 50 4.044 5.404 -0.814 1.00 0.00 H new ATOM 0 HA PHE A 50 1.568 3.792 -0.420 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.148 5.616 -2.721 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.419 4.054 -3.039 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.807 3.511 -2.183 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.921 7.344 -1.466 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.006 4.372 -1.495 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.270 8.204 -0.748 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.245 6.722 -0.775 1.00 0.00 H new ATOM 799 N SER A 51 2.600 1.819 -1.507 1.00 0.00 N ATOM 800 CA SER A 51 3.261 0.530 -1.761 1.00 0.00 C ATOM 801 C SER A 51 2.591 -0.176 -2.957 1.00 0.00 C ATOM 802 O SER A 51 1.538 -0.796 -2.852 1.00 0.00 O ATOM 803 CB SER A 51 3.203 -0.376 -0.494 1.00 0.00 C ATOM 804 OG SER A 51 3.185 0.274 0.840 1.00 0.00 O ATOM 0 H SER A 51 1.585 1.743 -1.438 1.00 0.00 H new ATOM 0 HA SER A 51 4.308 0.715 -2.000 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.311 -0.998 -0.572 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.063 -1.045 -0.525 1.00 0.00 H new ATOM 0 HG SER A 51 2.328 0.731 0.970 1.00 0.00 H new ATOM 810 N LEU A 52 3.304 -0.039 -4.085 1.00 0.00 N ATOM 811 CA LEU A 52 2.885 -0.567 -5.374 1.00 0.00 C ATOM 812 C LEU A 52 3.256 -2.047 -5.542 1.00 0.00 C ATOM 813 O LEU A 52 4.414 -2.409 -5.712 1.00 0.00 O ATOM 814 CB LEU A 52 3.637 0.328 -6.382 1.00 0.00 C ATOM 815 CG LEU A 52 3.321 0.179 -7.875 1.00 0.00 C ATOM 816 CD1 LEU A 52 1.824 0.304 -8.104 1.00 0.00 C ATOM 817 CD2 LEU A 52 4.059 1.246 -8.704 1.00 0.00 C ATOM 0 H LEU A 52 4.199 0.450 -4.119 1.00 0.00 H new ATOM 0 HA LEU A 52 1.803 -0.544 -5.506 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.450 1.366 -6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.704 0.150 -6.250 1.00 0.00 H new ATOM 0 HG LEU A 52 3.659 -0.806 -8.196 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.608 0.197 -9.167 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.304 -0.476 -7.548 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.484 1.281 -7.761 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.818 1.118 -9.759 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.748 2.239 -8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.134 1.138 -8.562 1.00 0.00 H new ATOM 829 N SER A 53 2.179 -2.863 -5.504 1.00 0.00 N ATOM 830 CA SER A 53 2.282 -4.307 -5.649 1.00 0.00 C ATOM 831 C SER A 53 2.030 -4.653 -7.119 1.00 0.00 C ATOM 832 O SER A 53 1.120 -4.128 -7.741 1.00 0.00 O ATOM 833 CB SER A 53 1.333 -4.996 -4.619 1.00 0.00 C ATOM 834 OG SER A 53 1.132 -4.368 -3.285 1.00 0.00 O ATOM 0 H SER A 53 1.225 -2.528 -5.372 1.00 0.00 H new ATOM 0 HA SER A 53 3.275 -4.690 -5.413 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.354 -5.091 -5.088 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.707 -6.006 -4.453 1.00 0.00 H new ATOM 0 HG SER A 53 0.946 -5.064 -2.621 1.00 0.00 H new ATOM 840 N VAL A 54 2.917 -5.532 -7.633 1.00 0.00 N ATOM 841 CA VAL A 54 2.868 -5.979 -9.033 1.00 0.00 C ATOM 842 C VAL A 54 3.196 -7.454 -9.048 1.00 0.00 C ATOM 843 O VAL A 54 4.053 -7.850 -8.281 1.00 0.00 O ATOM 844 CB VAL A 54 3.960 -5.284 -9.860 1.00 0.00 C ATOM 845 CG1 VAL A 54 3.948 -5.736 -11.327 1.00 0.00 C ATOM 846 CG2 VAL A 54 3.939 -3.788 -9.583 1.00 0.00 C ATOM 0 H VAL A 54 3.677 -5.945 -7.093 1.00 0.00 H new ATOM 0 HA VAL A 54 1.885 -5.754 -9.446 1.00 0.00 H new ATOM 0 HB VAL A 54 4.952 -5.604 -9.541 1.00 0.00 H new ATOM 0 HG11 VAL A 54 4.737 -5.219 -11.874 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.117 -6.812 -11.378 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.982 -5.499 -11.773 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.715 -3.298 -10.171 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.965 -3.381 -9.856 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.122 -3.612 -8.523 1.00 0.00 H new ATOM 856 N LYS A 55 2.556 -8.244 -9.943 1.00 0.00 N ATOM 857 CA LYS A 55 2.902 -9.658 -9.905 1.00 0.00 C ATOM 858 C LYS A 55 4.227 -9.969 -10.641 1.00 0.00 C ATOM 859 O LYS A 55 4.216 -10.014 -11.867 1.00 0.00 O ATOM 860 CB LYS A 55 1.742 -10.451 -10.501 1.00 0.00 C ATOM 861 CG LYS A 55 1.846 -11.921 -10.088 1.00 0.00 C ATOM 862 CD LYS A 55 0.704 -12.831 -10.527 1.00 0.00 C ATOM 863 CE LYS A 55 -0.369 -12.175 -11.363 1.00 0.00 C ATOM 864 NZ LYS A 55 -1.437 -13.135 -11.612 1.00 0.00 N ATOM 0 H LYS A 55 1.864 -7.952 -10.633 1.00 0.00 H new ATOM 0 HA LYS A 55 3.066 -9.949 -8.868 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.794 -10.035 -10.161 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.755 -10.368 -11.588 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.777 -12.323 -10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.920 -11.966 -9.001 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.123 -13.662 -11.094 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.238 -13.254 -9.637 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.764 -11.299 -10.848 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.051 -11.827 -12.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.667 -13.143 -12.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.126 -14.084 -11.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.281 -12.864 -11.068 1.00 0.00 H new ATOM 878 N ASP A 56 5.360 -10.174 -9.895 1.00 0.00 N ATOM 879 CA ASP A 56 6.575 -10.518 -10.659 1.00 0.00 C ATOM 880 C ASP A 56 6.545 -12.034 -10.985 1.00 0.00 C ATOM 881 O ASP A 56 6.827 -12.890 -10.160 1.00 0.00 O ATOM 882 CB ASP A 56 7.853 -9.982 -9.987 1.00 0.00 C ATOM 883 CG ASP A 56 9.155 -10.415 -10.693 1.00 0.00 C ATOM 884 OD1 ASP A 56 9.537 -11.575 -10.565 1.00 0.00 O ATOM 885 OD2 ASP A 56 9.793 -9.580 -11.330 1.00 0.00 O ATOM 0 H ASP A 56 5.447 -10.114 -8.881 1.00 0.00 H new ATOM 0 HA ASP A 56 6.592 -10.005 -11.621 1.00 0.00 H new ATOM 0 HB2 ASP A 56 7.809 -8.893 -9.961 1.00 0.00 H new ATOM 0 HB3 ASP A 56 7.880 -10.325 -8.953 1.00 0.00 H new ATOM 890 N ILE A 57 6.152 -12.293 -12.252 1.00 0.00 N ATOM 891 CA ILE A 57 6.048 -13.660 -12.760 1.00 0.00 C ATOM 892 C ILE A 57 7.374 -14.083 -13.422 1.00 0.00 C ATOM 893 O ILE A 57 7.962 -13.369 -14.224 1.00 0.00 O ATOM 894 CB ILE A 57 4.848 -13.784 -13.715 1.00 0.00 C ATOM 895 CG1 ILE A 57 3.547 -13.402 -12.980 1.00 0.00 C ATOM 896 CG2 ILE A 57 4.748 -15.201 -14.314 1.00 0.00 C ATOM 897 CD1 ILE A 57 2.281 -13.695 -13.778 1.00 0.00 C ATOM 0 H ILE A 57 5.905 -11.572 -12.930 1.00 0.00 H new ATOM 0 HA ILE A 57 5.869 -14.344 -11.931 1.00 0.00 H new ATOM 0 HB ILE A 57 4.998 -13.093 -14.544 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.503 -13.943 -12.035 1.00 0.00 H new ATOM 0 HG13 ILE A 57 3.576 -12.339 -12.739 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.890 -15.253 -14.984 1.00 0.00 H new ATOM 0 HG22 ILE A 57 5.657 -15.425 -14.872 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.626 -15.928 -13.511 1.00 0.00 H new ATOM 0 HD11 ILE A 57 1.408 -13.400 -13.196 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.302 -13.134 -14.712 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.228 -14.761 -13.997 1.00 0.00 H new ATOM 909 N THR A 58 7.777 -15.304 -13.011 1.00 0.00 N ATOM 910 CA THR A 58 9.006 -15.936 -13.481 1.00 0.00 C ATOM 911 C THR A 58 8.899 -17.454 -13.295 1.00 0.00 C ATOM 912 O THR A 58 8.028 -17.952 -12.592 1.00 0.00 O ATOM 913 CB THR A 58 10.240 -15.409 -12.690 1.00 0.00 C ATOM 914 OG1 THR A 58 11.515 -16.053 -12.999 1.00 0.00 O ATOM 915 CG2 THR A 58 9.938 -15.254 -11.166 1.00 0.00 C ATOM 0 H THR A 58 7.253 -15.871 -12.344 1.00 0.00 H new ATOM 0 HA THR A 58 9.138 -15.693 -14.535 1.00 0.00 H new ATOM 0 HB THR A 58 10.408 -14.402 -13.071 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.225 -15.378 -13.023 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.827 -14.884 -10.655 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.119 -14.548 -11.027 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.657 -16.222 -10.751 1.00 0.00 H new ATOM 923 N THR A 59 9.849 -18.159 -13.957 1.00 0.00 N ATOM 924 CA THR A 59 9.880 -19.621 -13.875 1.00 0.00 C ATOM 925 C THR A 59 10.484 -20.119 -12.548 1.00 0.00 C ATOM 926 O THR A 59 10.614 -21.321 -12.346 1.00 0.00 O ATOM 927 CB THR A 59 10.592 -20.295 -15.091 1.00 0.00 C ATOM 928 OG1 THR A 59 10.742 -21.754 -15.051 1.00 0.00 O ATOM 929 CG2 THR A 59 11.898 -19.556 -15.505 1.00 0.00 C ATOM 0 H THR A 59 10.580 -17.744 -14.535 1.00 0.00 H new ATOM 0 HA THR A 59 8.835 -19.929 -13.909 1.00 0.00 H new ATOM 0 HB THR A 59 9.868 -20.164 -15.896 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.762 -22.055 -14.119 1.00 0.00 H new ATOM 0 HG21 THR A 59 12.351 -20.067 -16.354 1.00 0.00 H new ATOM 0 HG22 THR A 59 11.662 -18.529 -15.783 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.596 -19.554 -14.668 1.00 0.00 H new ATOM 937 N GLN A 60 10.842 -19.159 -11.659 1.00 0.00 N ATOM 938 CA GLN A 60 11.395 -19.536 -10.355 1.00 0.00 C ATOM 939 C GLN A 60 10.337 -19.420 -9.234 1.00 0.00 C ATOM 940 O GLN A 60 10.484 -20.020 -8.177 1.00 0.00 O ATOM 941 CB GLN A 60 12.649 -18.734 -9.995 1.00 0.00 C ATOM 942 CG GLN A 60 13.760 -18.834 -11.056 1.00 0.00 C ATOM 943 CD GLN A 60 13.752 -17.666 -12.039 1.00 0.00 C ATOM 944 OE1 GLN A 60 13.545 -17.833 -13.232 1.00 0.00 O ATOM 945 NE2 GLN A 60 13.986 -16.477 -11.466 1.00 0.00 N ATOM 0 H GLN A 60 10.758 -18.155 -11.821 1.00 0.00 H new ATOM 0 HA GLN A 60 11.692 -20.581 -10.441 1.00 0.00 H new ATOM 0 HB2 GLN A 60 12.377 -17.687 -9.862 1.00 0.00 H new ATOM 0 HB3 GLN A 60 13.036 -19.087 -9.039 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.728 -18.876 -10.557 1.00 0.00 H new ATOM 0 HG3 GLN A 60 13.645 -19.767 -11.608 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.150 -16.419 -10.461 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.000 -15.631 -12.035 1.00 0.00 H new ATOM 954 N GLY A 61 9.278 -18.624 -9.510 1.00 0.00 N ATOM 955 CA GLY A 61 8.231 -18.456 -8.508 1.00 0.00 C ATOM 956 C GLY A 61 7.321 -17.260 -8.811 1.00 0.00 C ATOM 957 O GLY A 61 7.775 -16.160 -9.096 1.00 0.00 O ATOM 0 H GLY A 61 9.138 -18.113 -10.382 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.630 -19.364 -8.459 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.688 -18.323 -7.527 1.00 0.00 H new ATOM 961 N GLU A 62 6.007 -17.549 -8.716 1.00 0.00 N ATOM 962 CA GLU A 62 4.979 -16.544 -8.957 1.00 0.00 C ATOM 963 C GLU A 62 4.905 -15.664 -7.682 1.00 0.00 C ATOM 964 O GLU A 62 4.433 -16.117 -6.644 1.00 0.00 O ATOM 965 CB GLU A 62 3.683 -17.349 -9.185 1.00 0.00 C ATOM 966 CG GLU A 62 2.681 -16.688 -10.133 1.00 0.00 C ATOM 967 CD GLU A 62 1.790 -15.648 -9.461 1.00 0.00 C ATOM 968 OE1 GLU A 62 2.330 -14.710 -8.883 1.00 0.00 O ATOM 969 OE2 GLU A 62 0.568 -15.778 -9.539 1.00 0.00 O ATOM 0 H GLU A 62 5.644 -18.471 -8.474 1.00 0.00 H new ATOM 0 HA GLU A 62 5.164 -15.890 -9.809 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.945 -18.330 -9.581 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.199 -17.513 -8.222 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.226 -16.213 -10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.052 -17.459 -10.577 1.00 0.00 H new ATOM 976 N VAL A 63 5.420 -14.419 -7.801 1.00 0.00 N ATOM 977 CA VAL A 63 5.437 -13.516 -6.654 1.00 0.00 C ATOM 978 C VAL A 63 4.711 -12.230 -7.043 1.00 0.00 C ATOM 979 O VAL A 63 4.086 -12.121 -8.088 1.00 0.00 O ATOM 980 CB VAL A 63 6.905 -13.191 -6.268 1.00 0.00 C ATOM 981 CG1 VAL A 63 7.710 -14.452 -5.934 1.00 0.00 C ATOM 982 CG2 VAL A 63 7.637 -12.339 -7.330 1.00 0.00 C ATOM 0 H VAL A 63 5.816 -14.035 -8.659 1.00 0.00 H new ATOM 0 HA VAL A 63 4.943 -13.982 -5.801 1.00 0.00 H new ATOM 0 HB VAL A 63 6.838 -12.585 -5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.730 -14.173 -5.670 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.246 -14.968 -5.093 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.727 -15.113 -6.801 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.658 -12.146 -7.001 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.657 -12.877 -8.278 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.113 -11.392 -7.461 1.00 0.00 H new ATOM 992 N VAL A 64 4.878 -11.267 -6.120 1.00 0.00 N ATOM 993 CA VAL A 64 4.390 -9.915 -6.275 1.00 0.00 C ATOM 994 C VAL A 64 5.670 -9.048 -6.165 1.00 0.00 C ATOM 995 O VAL A 64 6.761 -9.572 -6.334 1.00 0.00 O ATOM 996 CB VAL A 64 3.111 -9.688 -5.429 1.00 0.00 C ATOM 997 CG1 VAL A 64 2.711 -8.241 -5.180 1.00 0.00 C ATOM 998 CG2 VAL A 64 1.899 -10.251 -6.164 1.00 0.00 C ATOM 0 H VAL A 64 5.365 -11.424 -5.238 1.00 0.00 H new ATOM 0 HA VAL A 64 3.946 -9.614 -7.224 1.00 0.00 H new ATOM 0 HB VAL A 64 3.366 -10.165 -4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.803 -8.213 -4.578 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.514 -7.728 -4.650 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.530 -7.744 -6.133 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.003 -10.089 -5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.790 -9.747 -7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.037 -11.320 -6.328 1.00 0.00 H new ATOM 1008 N LYS A 65 5.506 -7.740 -5.953 1.00 0.00 N ATOM 1009 CA LYS A 65 6.575 -6.747 -5.803 1.00 0.00 C ATOM 1010 C LYS A 65 6.050 -5.647 -4.873 1.00 0.00 C ATOM 1011 O LYS A 65 4.889 -5.692 -4.508 1.00 0.00 O ATOM 1012 CB LYS A 65 6.912 -6.144 -7.176 1.00 0.00 C ATOM 1013 CG LYS A 65 7.761 -7.078 -8.043 1.00 0.00 C ATOM 1014 CD LYS A 65 9.239 -7.079 -7.617 1.00 0.00 C ATOM 1015 CE LYS A 65 10.198 -7.558 -8.711 1.00 0.00 C ATOM 1016 NZ LYS A 65 10.636 -8.937 -8.519 1.00 0.00 N ATOM 0 H LYS A 65 4.578 -7.323 -5.877 1.00 0.00 H new ATOM 0 HA LYS A 65 7.475 -7.204 -5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.986 -5.910 -7.702 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.445 -5.204 -7.034 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.365 -8.091 -7.978 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.685 -6.772 -9.086 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.521 -6.070 -7.316 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.354 -7.717 -6.741 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.708 -7.469 -9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.070 -6.905 -8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.067 -9.290 -9.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.336 -8.975 -7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.818 -9.530 -8.272 1.00 0.00 H new ATOM 1030 N HIS A 66 6.935 -4.682 -4.516 1.00 0.00 N ATOM 1031 CA HIS A 66 6.620 -3.543 -3.649 1.00 0.00 C ATOM 1032 C HIS A 66 7.540 -2.346 -3.998 1.00 0.00 C ATOM 1033 O HIS A 66 8.755 -2.494 -4.026 1.00 0.00 O ATOM 1034 CB HIS A 66 6.920 -3.897 -2.174 1.00 0.00 C ATOM 1035 CG HIS A 66 5.907 -4.854 -1.593 1.00 0.00 C ATOM 1036 ND1 HIS A 66 4.630 -4.920 -2.007 1.00 0.00 N ATOM 1037 CD2 HIS A 66 6.088 -5.800 -0.571 1.00 0.00 C ATOM 1038 CE1 HIS A 66 4.043 -5.875 -1.271 1.00 0.00 C ATOM 1039 NE2 HIS A 66 4.902 -6.425 -0.392 1.00 0.00 N ATOM 0 H HIS A 66 7.904 -4.684 -4.835 1.00 0.00 H new ATOM 0 HA HIS A 66 5.568 -3.298 -3.793 1.00 0.00 H new ATOM 0 HB2 HIS A 66 7.914 -4.339 -2.104 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.935 -2.983 -1.580 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.003 -5.992 -0.030 1.00 0.00 H new ATOM 0 HE1 HIS A 66 3.008 -6.167 -1.371 1.00 0.00 H new ATOM 0 HE2 HIS A 66 4.698 -7.167 0.277 1.00 0.00 H new ATOM 1047 N TYR A 67 6.916 -1.170 -4.252 1.00 0.00 N ATOM 1048 CA TYR A 67 7.677 0.057 -4.532 1.00 0.00 C ATOM 1049 C TYR A 67 7.124 1.134 -3.592 1.00 0.00 C ATOM 1050 O TYR A 67 5.927 1.380 -3.548 1.00 0.00 O ATOM 1051 CB TYR A 67 7.585 0.545 -5.982 1.00 0.00 C ATOM 1052 CG TYR A 67 7.966 -0.495 -6.995 1.00 0.00 C ATOM 1053 CD1 TYR A 67 9.301 -0.714 -7.298 1.00 0.00 C ATOM 1054 CD2 TYR A 67 6.993 -1.215 -7.673 1.00 0.00 C ATOM 1055 CE1 TYR A 67 9.662 -1.622 -8.285 1.00 0.00 C ATOM 1056 CE2 TYR A 67 7.333 -2.118 -8.666 1.00 0.00 C ATOM 1057 CZ TYR A 67 8.681 -2.325 -8.991 1.00 0.00 C ATOM 1058 OH TYR A 67 9.056 -3.139 -10.053 1.00 0.00 O ATOM 0 H TYR A 67 5.903 -1.052 -4.267 1.00 0.00 H new ATOM 0 HA TYR A 67 8.734 -0.153 -4.372 1.00 0.00 H new ATOM 0 HB2 TYR A 67 6.566 0.876 -6.180 1.00 0.00 H new ATOM 0 HB3 TYR A 67 8.232 1.414 -6.105 1.00 0.00 H new ATOM 0 HD1 TYR A 67 10.067 -0.174 -6.762 1.00 0.00 H new ATOM 0 HD2 TYR A 67 5.953 -1.069 -7.422 1.00 0.00 H new ATOM 0 HE1 TYR A 67 10.706 -1.786 -8.508 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.561 -2.662 -9.189 1.00 0.00 H new ATOM 0 HH TYR A 67 9.986 -3.424 -9.934 1.00 0.00 H new ATOM 1068 N LYS A 68 8.065 1.753 -2.854 1.00 0.00 N ATOM 1069 CA LYS A 68 7.721 2.764 -1.856 1.00 0.00 C ATOM 1070 C LYS A 68 7.651 4.201 -2.415 1.00 0.00 C ATOM 1071 O LYS A 68 8.518 5.035 -2.183 1.00 0.00 O ATOM 1072 CB LYS A 68 8.645 2.656 -0.626 1.00 0.00 C ATOM 1073 CG LYS A 68 10.053 2.142 -0.943 1.00 0.00 C ATOM 1074 CD LYS A 68 10.856 2.998 -1.935 1.00 0.00 C ATOM 1075 CE LYS A 68 11.646 4.143 -1.288 1.00 0.00 C ATOM 1076 NZ LYS A 68 10.806 5.136 -0.630 1.00 0.00 N ATOM 0 H LYS A 68 9.064 1.566 -2.935 1.00 0.00 H new ATOM 0 HA LYS A 68 6.702 2.545 -1.537 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.725 3.637 -0.158 1.00 0.00 H new ATOM 0 HB3 LYS A 68 8.183 1.991 0.104 1.00 0.00 H new ATOM 0 HG2 LYS A 68 10.615 2.072 -0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.972 1.131 -1.343 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.550 2.353 -2.474 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.171 3.416 -2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.340 3.727 -0.558 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.245 4.637 -2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.333 6.027 -0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 9.951 5.300 -1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.533 4.791 0.312 1.00 0.00 H new ATOM 1090 N ILE A 69 6.539 4.434 -3.135 1.00 0.00 N ATOM 1091 CA ILE A 69 6.269 5.770 -3.678 1.00 0.00 C ATOM 1092 C ILE A 69 6.095 6.782 -2.531 1.00 0.00 C ATOM 1093 O ILE A 69 5.235 6.646 -1.673 1.00 0.00 O ATOM 1094 CB ILE A 69 5.007 5.864 -4.587 1.00 0.00 C ATOM 1095 CG1 ILE A 69 3.891 4.879 -4.269 1.00 0.00 C ATOM 1096 CG2 ILE A 69 5.184 6.104 -6.071 1.00 0.00 C ATOM 1097 CD1 ILE A 69 3.875 3.574 -5.051 1.00 0.00 C ATOM 0 H ILE A 69 5.831 3.732 -3.349 1.00 0.00 H new ATOM 0 HA ILE A 69 7.135 5.996 -4.301 1.00 0.00 H new ATOM 0 HB ILE A 69 4.662 6.842 -4.252 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.946 4.637 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.938 5.383 -4.432 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.207 6.142 -6.553 1.00 0.00 H new ATOM 0 HG22 ILE A 69 5.702 7.050 -6.227 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.770 5.293 -6.503 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.031 2.966 -4.727 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.780 3.789 -6.115 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.803 3.031 -4.872 1.00 0.00 H new ATOM 1109 N ARG A 70 6.967 7.798 -2.585 1.00 0.00 N ATOM 1110 CA ARG A 70 6.870 8.878 -1.627 1.00 0.00 C ATOM 1111 C ARG A 70 5.864 9.859 -2.207 1.00 0.00 C ATOM 1112 O ARG A 70 5.600 9.835 -3.396 1.00 0.00 O ATOM 1113 CB ARG A 70 8.213 9.571 -1.512 1.00 0.00 C ATOM 1114 CG ARG A 70 9.180 8.769 -0.643 1.00 0.00 C ATOM 1115 CD ARG A 70 9.961 9.737 0.226 1.00 0.00 C ATOM 1116 NE ARG A 70 11.140 9.087 0.794 1.00 0.00 N ATOM 1117 CZ ARG A 70 12.332 9.700 0.960 1.00 0.00 C ATOM 1118 NH1 ARG A 70 12.522 10.959 0.587 1.00 0.00 N ATOM 1119 NH2 ARG A 70 13.336 9.029 1.507 1.00 0.00 N ATOM 0 H ARG A 70 7.722 7.884 -3.265 1.00 0.00 H new ATOM 0 HA ARG A 70 6.574 8.516 -0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.641 9.707 -2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.076 10.565 -1.085 1.00 0.00 H new ATOM 0 HG2 ARG A 70 8.633 8.060 -0.022 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.859 8.188 -1.268 1.00 0.00 H new ATOM 0 HD2 ARG A 70 10.265 10.600 -0.366 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.323 10.109 1.028 1.00 0.00 H new ATOM 0 HE ARG A 70 11.058 8.112 1.082 1.00 0.00 H new ATOM 0 HH11 ARG A 70 11.758 11.486 0.164 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.432 11.399 0.723 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.204 8.060 1.797 1.00 0.00 H new ATOM 0 HH22 ARG A 70 14.241 9.482 1.637 1.00 0.00 H new ATOM 1133 N SER A 71 5.332 10.697 -1.310 1.00 0.00 N ATOM 1134 CA SER A 71 4.375 11.720 -1.702 1.00 0.00 C ATOM 1135 C SER A 71 5.018 13.068 -1.368 1.00 0.00 C ATOM 1136 O SER A 71 5.270 13.372 -0.207 1.00 0.00 O ATOM 1137 CB SER A 71 3.116 11.542 -0.829 1.00 0.00 C ATOM 1138 OG SER A 71 3.350 11.312 0.620 1.00 0.00 O ATOM 0 H SER A 71 5.551 10.682 -0.314 1.00 0.00 H new ATOM 0 HA SER A 71 4.113 11.658 -2.758 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.494 12.431 -0.939 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.543 10.702 -1.221 1.00 0.00 H new ATOM 0 HG SER A 71 2.987 12.064 1.133 1.00 0.00 H new ATOM 1144 N LEU A 72 5.283 13.843 -2.436 1.00 0.00 N ATOM 1145 CA LEU A 72 5.949 15.121 -2.299 1.00 0.00 C ATOM 1146 C LEU A 72 4.940 16.245 -2.470 1.00 0.00 C ATOM 1147 O LEU A 72 4.011 16.177 -3.266 1.00 0.00 O ATOM 1148 CB LEU A 72 7.060 15.211 -3.354 1.00 0.00 C ATOM 1149 CG LEU A 72 7.847 13.918 -3.519 1.00 0.00 C ATOM 1150 CD1 LEU A 72 8.308 13.391 -2.150 1.00 0.00 C ATOM 1151 CD2 LEU A 72 7.093 12.910 -4.405 1.00 0.00 C ATOM 0 H LEU A 72 5.041 13.594 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 72 6.392 15.215 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.619 15.483 -4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.746 16.012 -3.080 1.00 0.00 H new ATOM 0 HG LEU A 72 8.767 14.111 -4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.869 12.466 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.944 14.134 -1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.438 13.198 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.683 11.998 -4.502 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.131 12.673 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.930 13.343 -5.392 1.00 0.00 H new ATOM 1163 N ASP A 73 5.223 17.276 -1.658 1.00 0.00 N ATOM 1164 CA ASP A 73 4.401 18.481 -1.637 1.00 0.00 C ATOM 1165 C ASP A 73 4.452 19.253 -2.964 1.00 0.00 C ATOM 1166 O ASP A 73 3.483 19.889 -3.360 1.00 0.00 O ATOM 1167 CB ASP A 73 4.836 19.414 -0.494 1.00 0.00 C ATOM 1168 CG ASP A 73 6.343 19.742 -0.519 1.00 0.00 C ATOM 1169 OD1 ASP A 73 7.136 18.902 -0.093 1.00 0.00 O ATOM 1170 OD2 ASP A 73 6.701 20.832 -0.961 1.00 0.00 O ATOM 0 H ASP A 73 6.013 17.293 -1.013 1.00 0.00 H new ATOM 0 HA ASP A 73 3.374 18.151 -1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.268 20.342 -0.555 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.587 18.950 0.460 1.00 0.00 H new ATOM 1175 N ASN A 74 5.633 19.152 -3.615 1.00 0.00 N ATOM 1176 CA ASN A 74 5.843 19.853 -4.880 1.00 0.00 C ATOM 1177 C ASN A 74 6.265 18.910 -6.027 1.00 0.00 C ATOM 1178 O ASN A 74 6.583 19.358 -7.122 1.00 0.00 O ATOM 1179 CB ASN A 74 6.878 20.970 -4.659 1.00 0.00 C ATOM 1180 CG ASN A 74 8.293 20.445 -4.358 1.00 0.00 C ATOM 1181 OD1 ASN A 74 8.616 20.039 -3.250 1.00 0.00 O ATOM 1182 ND2 ASN A 74 9.114 20.487 -5.417 1.00 0.00 N ATOM 0 H ASN A 74 6.429 18.605 -3.288 1.00 0.00 H new ATOM 0 HA ASN A 74 4.893 20.285 -5.195 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.915 21.601 -5.547 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.550 21.600 -3.833 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.078 20.167 -5.328 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.774 20.839 -6.312 1.00 0.00 H new ATOM 1189 N GLY A 75 6.249 17.596 -5.717 1.00 0.00 N ATOM 1190 CA GLY A 75 6.657 16.603 -6.713 1.00 0.00 C ATOM 1191 C GLY A 75 5.803 15.334 -6.775 1.00 0.00 C ATOM 1192 O GLY A 75 6.285 14.295 -7.193 1.00 0.00 O ATOM 0 H GLY A 75 5.967 17.215 -4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.645 17.075 -7.695 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.689 16.315 -6.510 1.00 0.00 H new ATOM 1196 N GLY A 76 4.541 15.458 -6.322 1.00 0.00 N ATOM 1197 CA GLY A 76 3.556 14.380 -6.356 1.00 0.00 C ATOM 1198 C GLY A 76 3.989 13.041 -5.785 1.00 0.00 C ATOM 1199 O GLY A 76 3.733 12.756 -4.626 1.00 0.00 O ATOM 0 H GLY A 76 4.181 16.323 -5.919 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.671 14.711 -5.813 1.00 0.00 H new ATOM 0 HA3 GLY A 76 3.255 14.227 -7.392 1.00 0.00 H new ATOM 1203 N TYR A 77 4.624 12.228 -6.672 1.00 0.00 N ATOM 1204 CA TYR A 77 5.107 10.913 -6.267 1.00 0.00 C ATOM 1205 C TYR A 77 6.369 10.572 -7.042 1.00 0.00 C ATOM 1206 O TYR A 77 6.481 10.799 -8.240 1.00 0.00 O ATOM 1207 CB TYR A 77 4.092 9.774 -6.480 1.00 0.00 C ATOM 1208 CG TYR A 77 2.856 9.954 -5.655 1.00 0.00 C ATOM 1209 CD1 TYR A 77 1.826 10.740 -6.132 1.00 0.00 C ATOM 1210 CD2 TYR A 77 2.717 9.328 -4.428 1.00 0.00 C ATOM 1211 CE1 TYR A 77 0.644 10.900 -5.426 1.00 0.00 C ATOM 1212 CE2 TYR A 77 1.553 9.478 -3.690 1.00 0.00 C ATOM 1213 CZ TYR A 77 0.490 10.240 -4.197 1.00 0.00 C ATOM 1214 OH TYR A 77 -0.709 10.318 -3.500 1.00 0.00 O ATOM 0 H TYR A 77 4.803 12.468 -7.647 1.00 0.00 H new ATOM 0 HA TYR A 77 5.292 10.985 -5.195 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.819 9.726 -7.534 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.559 8.822 -6.228 1.00 0.00 H new ATOM 0 HD1 TYR A 77 1.944 11.243 -7.080 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.521 8.718 -4.043 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.147 11.523 -5.816 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.464 9.007 -2.722 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.640 9.801 -2.671 1.00 0.00 H new ATOM 1224 N TYR A 78 7.302 9.988 -6.256 1.00 0.00 N ATOM 1225 CA TYR A 78 8.577 9.553 -6.833 1.00 0.00 C ATOM 1226 C TYR A 78 8.967 8.159 -6.283 1.00 0.00 C ATOM 1227 O TYR A 78 8.845 7.876 -5.096 1.00 0.00 O ATOM 1228 CB TYR A 78 9.682 10.626 -6.686 1.00 0.00 C ATOM 1229 CG TYR A 78 10.573 10.523 -5.471 1.00 0.00 C ATOM 1230 CD1 TYR A 78 11.655 9.656 -5.505 1.00 0.00 C ATOM 1231 CD2 TYR A 78 10.370 11.286 -4.325 1.00 0.00 C ATOM 1232 CE1 TYR A 78 12.515 9.512 -4.432 1.00 0.00 C ATOM 1233 CE2 TYR A 78 11.234 11.160 -3.238 1.00 0.00 C ATOM 1234 CZ TYR A 78 12.307 10.262 -3.272 1.00 0.00 C ATOM 1235 OH TYR A 78 13.158 10.138 -2.177 1.00 0.00 O ATOM 0 H TYR A 78 7.196 9.815 -5.256 1.00 0.00 H new ATOM 0 HA TYR A 78 8.454 9.438 -7.910 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.313 10.588 -7.574 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.205 11.606 -6.675 1.00 0.00 H new ATOM 0 HD1 TYR A 78 11.831 9.075 -6.398 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.541 11.977 -4.278 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.344 8.822 -4.490 1.00 0.00 H new ATOM 0 HE2 TYR A 78 11.073 11.764 -2.357 1.00 0.00 H new ATOM 0 HH TYR A 78 13.447 11.028 -1.885 1.00 0.00 H new ATOM 1245 N ILE A 79 9.434 7.325 -7.240 1.00 0.00 N ATOM 1246 CA ILE A 79 9.901 5.940 -7.001 1.00 0.00 C ATOM 1247 C ILE A 79 11.386 5.768 -7.369 1.00 0.00 C ATOM 1248 O ILE A 79 12.015 4.756 -7.089 1.00 0.00 O ATOM 1249 CB ILE A 79 8.946 4.846 -7.539 1.00 0.00 C ATOM 1250 CG1 ILE A 79 8.151 5.342 -8.760 1.00 0.00 C ATOM 1251 CG2 ILE A 79 8.117 4.146 -6.458 1.00 0.00 C ATOM 1252 CD1 ILE A 79 7.050 4.381 -9.209 1.00 0.00 C ATOM 0 H ILE A 79 9.498 7.602 -8.220 1.00 0.00 H new ATOM 0 HA ILE A 79 9.854 5.772 -5.925 1.00 0.00 H new ATOM 0 HB ILE A 79 9.573 4.034 -7.908 1.00 0.00 H new ATOM 0 HG12 ILE A 79 7.704 6.307 -8.523 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.840 5.504 -9.589 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.476 3.395 -6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 79 8.784 3.663 -5.744 1.00 0.00 H new ATOM 0 HG23 ILE A 79 7.500 4.880 -5.940 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.533 4.798 -10.074 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.492 3.422 -9.478 1.00 0.00 H new ATOM 0 HD13 ILE A 79 6.339 4.237 -8.396 1.00 0.00 H new ATOM 1264 N SER A 80 11.892 6.840 -7.987 1.00 0.00 N ATOM 1265 CA SER A 80 13.268 7.003 -8.417 1.00 0.00 C ATOM 1266 C SER A 80 13.336 8.542 -8.486 1.00 0.00 C ATOM 1267 O SER A 80 12.471 9.149 -9.101 1.00 0.00 O ATOM 1268 CB SER A 80 13.462 6.199 -9.739 1.00 0.00 C ATOM 1269 OG SER A 80 14.679 6.346 -10.566 1.00 0.00 O ATOM 0 H SER A 80 11.317 7.653 -8.208 1.00 0.00 H new ATOM 0 HA SER A 80 14.078 6.618 -7.798 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.381 5.143 -9.481 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.613 6.437 -10.381 1.00 0.00 H new ATOM 0 HG SER A 80 14.615 5.761 -11.349 1.00 0.00 H new ATOM 1275 N PRO A 81 14.327 9.199 -7.819 1.00 0.00 N ATOM 1276 CA PRO A 81 14.304 10.660 -7.761 1.00 0.00 C ATOM 1277 C PRO A 81 14.360 11.456 -9.067 1.00 0.00 C ATOM 1278 O PRO A 81 13.859 12.573 -9.112 1.00 0.00 O ATOM 1279 CB PRO A 81 15.423 11.028 -6.785 1.00 0.00 C ATOM 1280 CG PRO A 81 15.845 9.722 -6.113 1.00 0.00 C ATOM 1281 CD PRO A 81 15.439 8.617 -7.070 1.00 0.00 C ATOM 0 HA PRO A 81 13.308 10.963 -7.437 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.262 11.486 -7.309 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.075 11.751 -6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 81 16.919 9.706 -5.929 1.00 0.00 H new ATOM 0 HG3 PRO A 81 15.355 9.603 -5.147 1.00 0.00 H new ATOM 0 HD2 PRO A 81 16.261 8.335 -7.728 1.00 0.00 H new ATOM 0 HD3 PRO A 81 15.135 7.717 -6.536 1.00 0.00 H new ATOM 1289 N ARG A 82 14.932 10.841 -10.128 1.00 0.00 N ATOM 1290 CA ARG A 82 14.962 11.574 -11.407 1.00 0.00 C ATOM 1291 C ARG A 82 13.638 11.396 -12.195 1.00 0.00 C ATOM 1292 O ARG A 82 13.437 12.024 -13.226 1.00 0.00 O ATOM 1293 CB ARG A 82 16.215 11.312 -12.261 1.00 0.00 C ATOM 1294 CG ARG A 82 16.465 9.849 -12.633 1.00 0.00 C ATOM 1295 CD ARG A 82 17.467 9.194 -11.665 1.00 0.00 C ATOM 1296 NE ARG A 82 17.312 7.742 -11.600 1.00 0.00 N ATOM 1297 CZ ARG A 82 17.596 6.919 -12.632 1.00 0.00 C ATOM 1298 NH1 ARG A 82 18.058 7.390 -13.783 1.00 0.00 N ATOM 1299 NH2 ARG A 82 17.423 5.610 -12.496 1.00 0.00 N ATOM 0 H ARG A 82 15.349 9.910 -10.130 1.00 0.00 H new ATOM 0 HA ARG A 82 15.043 12.629 -11.143 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.135 11.894 -13.179 1.00 0.00 H new ATOM 0 HB3 ARG A 82 17.085 11.685 -11.722 1.00 0.00 H new ATOM 0 HG2 ARG A 82 15.524 9.300 -12.613 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.847 9.790 -13.652 1.00 0.00 H new ATOM 0 HD2 ARG A 82 18.482 9.434 -11.980 1.00 0.00 H new ATOM 0 HD3 ARG A 82 17.334 9.616 -10.669 1.00 0.00 H new ATOM 0 HE ARG A 82 16.972 7.330 -10.731 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.205 8.392 -13.902 1.00 0.00 H new ATOM 0 HH12 ARG A 82 18.266 6.750 -14.549 1.00 0.00 H new ATOM 0 HH21 ARG A 82 17.077 5.230 -11.615 1.00 0.00 H new ATOM 0 HH22 ARG A 82 17.636 4.984 -13.273 1.00 0.00 H new ATOM 1313 N ILE A 83 12.761 10.517 -11.653 1.00 0.00 N ATOM 1314 CA ILE A 83 11.441 10.257 -12.222 1.00 0.00 C ATOM 1315 C ILE A 83 10.368 10.407 -11.124 1.00 0.00 C ATOM 1316 O ILE A 83 9.993 9.507 -10.371 1.00 0.00 O ATOM 1317 CB ILE A 83 11.320 8.947 -12.984 1.00 0.00 C ATOM 1318 CG1 ILE A 83 11.827 7.776 -12.177 1.00 0.00 C ATOM 1319 CG2 ILE A 83 12.009 8.965 -14.342 1.00 0.00 C ATOM 1320 CD1 ILE A 83 10.887 6.613 -12.381 1.00 0.00 C ATOM 0 H ILE A 83 12.960 9.976 -10.811 1.00 0.00 H new ATOM 0 HA ILE A 83 11.276 11.010 -12.993 1.00 0.00 H new ATOM 0 HB ILE A 83 10.251 8.826 -13.161 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.836 7.508 -12.491 1.00 0.00 H new ATOM 0 HG13 ILE A 83 11.881 8.039 -11.121 1.00 0.00 H new ATOM 0 HG21 ILE A 83 11.881 7.998 -14.828 1.00 0.00 H new ATOM 0 HG22 ILE A 83 11.568 9.744 -14.963 1.00 0.00 H new ATOM 0 HG23 ILE A 83 13.072 9.166 -14.208 1.00 0.00 H new ATOM 0 HD11 ILE A 83 11.237 5.757 -11.805 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.887 6.890 -12.047 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.857 6.351 -13.439 1.00 0.00 H new ATOM 1332 N THR A 84 9.934 11.674 -11.161 1.00 0.00 N ATOM 1333 CA THR A 84 8.923 12.261 -10.316 1.00 0.00 C ATOM 1334 C THR A 84 7.693 12.491 -11.214 1.00 0.00 C ATOM 1335 O THR A 84 7.797 12.594 -12.432 1.00 0.00 O ATOM 1336 CB THR A 84 9.544 13.600 -9.826 1.00 0.00 C ATOM 1337 OG1 THR A 84 11.002 13.713 -9.680 1.00 0.00 O ATOM 1338 CG2 THR A 84 8.834 14.076 -8.551 1.00 0.00 C ATOM 0 H THR A 84 10.313 12.346 -11.829 1.00 0.00 H new ATOM 0 HA THR A 84 8.621 11.657 -9.461 1.00 0.00 H new ATOM 0 HB THR A 84 9.364 14.256 -10.677 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.231 14.613 -9.366 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.277 15.014 -8.217 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.775 14.228 -8.760 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.945 13.324 -7.770 1.00 0.00 H new ATOM 1346 N PHE A 85 6.546 12.560 -10.528 1.00 0.00 N ATOM 1347 CA PHE A 85 5.251 12.718 -11.201 1.00 0.00 C ATOM 1348 C PHE A 85 4.392 13.676 -10.356 1.00 0.00 C ATOM 1349 O PHE A 85 4.649 13.819 -9.175 1.00 0.00 O ATOM 1350 CB PHE A 85 4.605 11.315 -11.323 1.00 0.00 C ATOM 1351 CG PHE A 85 5.461 10.383 -12.151 1.00 0.00 C ATOM 1352 CD1 PHE A 85 5.319 10.328 -13.536 1.00 0.00 C ATOM 1353 CD2 PHE A 85 6.437 9.591 -11.547 1.00 0.00 C ATOM 1354 CE1 PHE A 85 6.169 9.533 -14.300 1.00 0.00 C ATOM 1355 CE2 PHE A 85 7.286 8.798 -12.307 1.00 0.00 C ATOM 1356 CZ PHE A 85 7.163 8.776 -13.688 1.00 0.00 C ATOM 0 H PHE A 85 6.488 12.509 -9.511 1.00 0.00 H new ATOM 0 HA PHE A 85 5.351 13.139 -12.201 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.460 10.892 -10.329 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.618 11.405 -11.778 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.545 10.905 -14.020 1.00 0.00 H new ATOM 0 HD2 PHE A 85 6.534 9.595 -10.471 1.00 0.00 H new ATOM 0 HE1 PHE A 85 6.056 9.504 -15.374 1.00 0.00 H new ATOM 0 HE2 PHE A 85 8.042 8.198 -11.823 1.00 0.00 H new ATOM 0 HZ PHE A 85 7.834 8.176 -14.284 1.00 0.00 H new ATOM 1366 N PRO A 86 3.374 14.343 -10.973 1.00 0.00 N ATOM 1367 CA PRO A 86 2.502 15.275 -10.234 1.00 0.00 C ATOM 1368 C PRO A 86 1.479 14.552 -9.331 1.00 0.00 C ATOM 1369 O PRO A 86 0.932 15.127 -8.398 1.00 0.00 O ATOM 1370 CB PRO A 86 1.763 16.026 -11.356 1.00 0.00 C ATOM 1371 CG PRO A 86 1.783 15.064 -12.551 1.00 0.00 C ATOM 1372 CD PRO A 86 3.083 14.281 -12.403 1.00 0.00 C ATOM 0 HA PRO A 86 3.076 15.913 -9.562 1.00 0.00 H new ATOM 0 HB2 PRO A 86 0.742 16.271 -11.062 1.00 0.00 H new ATOM 0 HB3 PRO A 86 2.260 16.966 -11.597 1.00 0.00 H new ATOM 0 HG2 PRO A 86 0.918 14.400 -12.538 1.00 0.00 H new ATOM 0 HG3 PRO A 86 1.754 15.607 -13.496 1.00 0.00 H new ATOM 0 HD2 PRO A 86 2.969 13.252 -12.743 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.885 14.725 -12.993 1.00 0.00 H new ATOM 1380 N THR A 87 1.290 13.258 -9.655 1.00 0.00 N ATOM 1381 CA THR A 87 0.397 12.356 -8.930 1.00 0.00 C ATOM 1382 C THR A 87 0.734 10.956 -9.420 1.00 0.00 C ATOM 1383 O THR A 87 1.462 10.778 -10.391 1.00 0.00 O ATOM 1384 CB THR A 87 -1.125 12.554 -9.182 1.00 0.00 C ATOM 1385 OG1 THR A 87 -2.065 11.642 -8.522 1.00 0.00 O ATOM 1386 CG2 THR A 87 -1.407 12.759 -10.681 1.00 0.00 C ATOM 0 H THR A 87 1.764 12.811 -10.440 1.00 0.00 H new ATOM 0 HA THR A 87 0.555 12.547 -7.869 1.00 0.00 H new ATOM 0 HB THR A 87 -1.355 13.473 -8.642 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.982 11.883 -8.768 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.477 12.895 -10.835 1.00 0.00 H new ATOM 0 HG22 THR A 87 -0.874 13.642 -11.034 1.00 0.00 H new ATOM 0 HG23 THR A 87 -1.069 11.885 -11.238 1.00 0.00 H new ATOM 1394 N LEU A 88 0.134 9.971 -8.724 1.00 0.00 N ATOM 1395 CA LEU A 88 0.382 8.613 -9.148 1.00 0.00 C ATOM 1396 C LEU A 88 -0.268 8.361 -10.507 1.00 0.00 C ATOM 1397 O LEU A 88 0.259 7.538 -11.223 1.00 0.00 O ATOM 1398 CB LEU A 88 -0.198 7.534 -8.221 1.00 0.00 C ATOM 1399 CG LEU A 88 0.288 7.546 -6.783 1.00 0.00 C ATOM 1400 CD1 LEU A 88 -0.624 6.653 -5.971 1.00 0.00 C ATOM 1401 CD2 LEU A 88 1.701 7.005 -6.642 1.00 0.00 C ATOM 0 H LEU A 88 -0.483 10.091 -7.921 1.00 0.00 H new ATOM 0 HA LEU A 88 1.469 8.532 -9.156 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.283 7.636 -8.216 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.028 6.558 -8.650 1.00 0.00 H new ATOM 0 HG LEU A 88 0.281 8.580 -6.439 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.295 6.645 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.645 7.030 -6.025 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.590 5.639 -6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 88 2.000 7.036 -5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.734 5.975 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.385 7.615 -7.232 1.00 0.00 H new ATOM 1413 N GLN A 89 -1.375 9.062 -10.890 1.00 0.00 N ATOM 1414 CA GLN A 89 -1.934 8.629 -12.194 1.00 0.00 C ATOM 1415 C GLN A 89 -0.986 8.786 -13.389 1.00 0.00 C ATOM 1416 O GLN A 89 -1.001 7.957 -14.282 1.00 0.00 O ATOM 1417 CB GLN A 89 -3.389 8.995 -12.500 1.00 0.00 C ATOM 1418 CG GLN A 89 -3.777 10.453 -12.400 1.00 0.00 C ATOM 1419 CD GLN A 89 -3.148 11.398 -13.441 1.00 0.00 C ATOM 1420 OE1 GLN A 89 -3.074 12.601 -13.238 1.00 0.00 O ATOM 1421 NE2 GLN A 89 -2.716 10.804 -14.566 1.00 0.00 N ATOM 0 H GLN A 89 -1.841 9.822 -10.394 1.00 0.00 H new ATOM 0 HA GLN A 89 -2.010 7.555 -12.024 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -3.616 8.655 -13.510 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -4.028 8.429 -11.822 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -4.861 10.525 -12.483 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -3.509 10.811 -11.406 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -2.806 9.794 -14.676 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -2.298 11.363 -15.310 1.00 0.00 H new ATOM 1430 N ALA A 90 -0.157 9.845 -13.364 1.00 0.00 N ATOM 1431 CA ALA A 90 0.785 10.036 -14.475 1.00 0.00 C ATOM 1432 C ALA A 90 1.885 8.949 -14.477 1.00 0.00 C ATOM 1433 O ALA A 90 2.584 8.721 -15.455 1.00 0.00 O ATOM 1434 CB ALA A 90 1.451 11.408 -14.348 1.00 0.00 C ATOM 0 H ALA A 90 -0.119 10.548 -12.626 1.00 0.00 H new ATOM 0 HA ALA A 90 0.223 9.965 -15.406 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.150 11.551 -15.172 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.689 12.187 -14.380 1.00 0.00 H new ATOM 0 HB3 ALA A 90 1.989 11.465 -13.402 1.00 0.00 H new ATOM 1440 N LEU A 91 1.984 8.310 -13.306 1.00 0.00 N ATOM 1441 CA LEU A 91 2.896 7.217 -13.042 1.00 0.00 C ATOM 1442 C LEU A 91 2.208 5.912 -13.497 1.00 0.00 C ATOM 1443 O LEU A 91 2.840 5.045 -14.077 1.00 0.00 O ATOM 1444 CB LEU A 91 3.284 7.360 -11.549 1.00 0.00 C ATOM 1445 CG LEU A 91 3.640 6.122 -10.705 1.00 0.00 C ATOM 1446 CD1 LEU A 91 4.250 6.590 -9.377 1.00 0.00 C ATOM 1447 CD2 LEU A 91 2.400 5.295 -10.349 1.00 0.00 C ATOM 0 H LEU A 91 1.410 8.554 -12.499 1.00 0.00 H new ATOM 0 HA LEU A 91 3.835 7.215 -13.596 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.138 8.035 -11.503 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.455 7.861 -11.049 1.00 0.00 H new ATOM 0 HG LEU A 91 4.327 5.513 -11.293 1.00 0.00 H new ATOM 0 HD11 LEU A 91 4.507 5.723 -8.769 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.149 7.173 -9.575 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.528 7.207 -8.842 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.697 4.432 -9.754 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.705 5.909 -9.776 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.914 4.955 -11.264 1.00 0.00 H new ATOM 1459 N VAL A 92 0.875 5.839 -13.264 1.00 0.00 N ATOM 1460 CA VAL A 92 0.082 4.671 -13.612 1.00 0.00 C ATOM 1461 C VAL A 92 -0.351 4.714 -15.106 1.00 0.00 C ATOM 1462 O VAL A 92 -0.876 3.739 -15.616 1.00 0.00 O ATOM 1463 CB VAL A 92 -1.151 4.572 -12.656 1.00 0.00 C ATOM 1464 CG1 VAL A 92 -1.598 3.146 -12.424 1.00 0.00 C ATOM 1465 CG2 VAL A 92 -0.960 5.093 -11.225 1.00 0.00 C ATOM 0 H VAL A 92 0.338 6.591 -12.832 1.00 0.00 H new ATOM 0 HA VAL A 92 0.690 3.776 -13.485 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.861 5.193 -13.201 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.457 3.139 -11.753 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.877 2.693 -13.375 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.783 2.577 -11.976 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.887 4.968 -10.665 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.163 4.532 -10.737 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.694 6.150 -11.255 1.00 0.00 H new ATOM 1475 N GLN A 93 -0.088 5.869 -15.774 1.00 0.00 N ATOM 1476 CA GLN A 93 -0.447 6.110 -17.178 1.00 0.00 C ATOM 1477 C GLN A 93 0.750 5.689 -18.049 1.00 0.00 C ATOM 1478 O GLN A 93 0.665 4.899 -18.983 1.00 0.00 O ATOM 1479 CB GLN A 93 -0.861 7.592 -17.439 1.00 0.00 C ATOM 1480 CG GLN A 93 0.244 8.583 -17.845 1.00 0.00 C ATOM 1481 CD GLN A 93 -0.274 10.015 -17.989 1.00 0.00 C ATOM 1482 OE1 GLN A 93 -1.257 10.423 -17.385 1.00 0.00 O ATOM 1483 NE2 GLN A 93 0.473 10.749 -18.824 1.00 0.00 N ATOM 0 H GLN A 93 0.385 6.661 -15.338 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.324 5.517 -17.436 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.619 7.595 -18.222 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -1.336 7.972 -16.534 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.038 8.561 -17.099 1.00 0.00 H new ATOM 0 HG3 GLN A 93 0.685 8.263 -18.789 1.00 0.00 H new ATOM 0 HE21 GLN A 93 1.279 10.331 -19.289 1.00 0.00 H new ATOM 0 HE22 GLN A 93 0.236 11.726 -18.995 1.00 0.00 H new ATOM 1492 N HIS A 94 1.883 6.282 -17.610 1.00 0.00 N ATOM 1493 CA HIS A 94 3.199 6.129 -18.197 1.00 0.00 C ATOM 1494 C HIS A 94 3.635 4.672 -18.113 1.00 0.00 C ATOM 1495 O HIS A 94 4.219 4.140 -19.044 1.00 0.00 O ATOM 1496 CB HIS A 94 4.149 7.045 -17.406 1.00 0.00 C ATOM 1497 CG HIS A 94 5.601 6.914 -17.815 1.00 0.00 C ATOM 1498 ND1 HIS A 94 6.614 7.001 -16.930 1.00 0.00 N ATOM 1499 CD2 HIS A 94 6.149 6.711 -19.094 1.00 0.00 C ATOM 1500 CE1 HIS A 94 7.745 6.859 -17.640 1.00 0.00 C ATOM 1501 NE2 HIS A 94 7.494 6.680 -18.952 1.00 0.00 N ATOM 0 H HIS A 94 1.887 6.903 -16.801 1.00 0.00 H new ATOM 0 HA HIS A 94 3.204 6.406 -19.251 1.00 0.00 H new ATOM 0 HB2 HIS A 94 3.835 8.080 -17.539 1.00 0.00 H new ATOM 0 HB3 HIS A 94 4.058 6.818 -16.344 1.00 0.00 H new ATOM 0 HD2 HIS A 94 5.599 6.601 -20.017 1.00 0.00 H new ATOM 0 HE1 HIS A 94 8.736 6.885 -17.211 1.00 0.00 H new ATOM 0 HE2 HIS A 94 8.183 6.547 -19.692 1.00 0.00 H new ATOM 1509 N TYR A 95 3.287 4.068 -16.957 1.00 0.00 N ATOM 1510 CA TYR A 95 3.654 2.680 -16.715 1.00 0.00 C ATOM 1511 C TYR A 95 2.805 1.706 -17.511 1.00 0.00 C ATOM 1512 O TYR A 95 3.286 0.636 -17.858 1.00 0.00 O ATOM 1513 CB TYR A 95 3.636 2.362 -15.222 1.00 0.00 C ATOM 1514 CG TYR A 95 4.750 3.027 -14.454 1.00 0.00 C ATOM 1515 CD1 TYR A 95 5.666 3.903 -15.039 1.00 0.00 C ATOM 1516 CD2 TYR A 95 4.877 2.741 -13.105 1.00 0.00 C ATOM 1517 CE1 TYR A 95 6.700 4.457 -14.309 1.00 0.00 C ATOM 1518 CE2 TYR A 95 5.908 3.285 -12.359 1.00 0.00 C ATOM 1519 CZ TYR A 95 6.859 4.109 -12.967 1.00 0.00 C ATOM 1520 OH TYR A 95 7.972 4.532 -12.259 1.00 0.00 O ATOM 0 H TYR A 95 2.766 4.515 -16.202 1.00 0.00 H new ATOM 0 HA TYR A 95 4.676 2.552 -17.072 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.679 2.674 -14.803 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.706 1.283 -15.087 1.00 0.00 H new ATOM 0 HD1 TYR A 95 5.564 4.153 -16.085 1.00 0.00 H new ATOM 0 HD2 TYR A 95 4.163 2.085 -12.629 1.00 0.00 H new ATOM 0 HE1 TYR A 95 7.381 5.155 -14.774 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.978 3.072 -11.303 1.00 0.00 H new ATOM 0 HH TYR A 95 8.282 5.389 -12.619 1.00 0.00 H new ATOM 1530 N SER A 96 1.544 2.108 -17.804 1.00 0.00 N ATOM 1531 CA SER A 96 0.722 1.181 -18.594 1.00 0.00 C ATOM 1532 C SER A 96 1.372 0.831 -19.951 1.00 0.00 C ATOM 1533 O SER A 96 1.193 -0.264 -20.470 1.00 0.00 O ATOM 1534 CB SER A 96 -0.700 1.775 -18.830 1.00 0.00 C ATOM 1535 OG SER A 96 -1.544 2.187 -17.685 1.00 0.00 O ATOM 0 H SER A 96 1.109 2.989 -17.531 1.00 0.00 H new ATOM 0 HA SER A 96 0.642 0.260 -18.017 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.581 2.648 -19.472 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.267 1.037 -19.397 1.00 0.00 H new ATOM 0 HG SER A 96 -1.074 2.868 -17.160 1.00 0.00 H new ATOM 1541 N LYS A 97 2.138 1.816 -20.478 1.00 0.00 N ATOM 1542 CA LYS A 97 2.810 1.619 -21.764 1.00 0.00 C ATOM 1543 C LYS A 97 4.333 1.376 -21.634 1.00 0.00 C ATOM 1544 O LYS A 97 4.932 0.770 -22.514 1.00 0.00 O ATOM 1545 CB LYS A 97 2.567 2.859 -22.645 1.00 0.00 C ATOM 1546 CG LYS A 97 1.153 2.956 -23.247 1.00 0.00 C ATOM 1547 CD LYS A 97 0.028 3.063 -22.207 1.00 0.00 C ATOM 1548 CE LYS A 97 -1.311 3.508 -22.798 1.00 0.00 C ATOM 1549 NZ LYS A 97 -1.886 2.491 -23.672 1.00 0.00 N ATOM 0 H LYS A 97 2.297 2.724 -20.041 1.00 0.00 H new ATOM 0 HA LYS A 97 2.388 0.720 -22.213 1.00 0.00 H new ATOM 0 HB2 LYS A 97 2.755 3.753 -22.050 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.293 2.858 -23.458 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.109 3.826 -23.903 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.975 2.079 -23.869 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.102 2.095 -21.723 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.327 3.769 -21.432 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.009 3.729 -21.990 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -1.171 4.432 -23.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.792 2.832 -24.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -1.232 2.298 -24.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.044 1.617 -23.131 1.00 0.00 H new ATOM 1563 N LYS A 98 4.928 1.853 -20.516 1.00 0.00 N ATOM 1564 CA LYS A 98 6.357 1.721 -20.304 1.00 0.00 C ATOM 1565 C LYS A 98 6.660 1.896 -18.798 1.00 0.00 C ATOM 1566 O LYS A 98 6.659 3.003 -18.276 1.00 0.00 O ATOM 1567 CB LYS A 98 7.012 2.824 -21.159 1.00 0.00 C ATOM 1568 CG LYS A 98 8.390 2.420 -21.643 1.00 0.00 C ATOM 1569 CD LYS A 98 9.497 2.734 -20.648 1.00 0.00 C ATOM 1570 CE LYS A 98 10.805 2.083 -21.086 1.00 0.00 C ATOM 1571 NZ LYS A 98 11.923 2.410 -20.210 1.00 0.00 N ATOM 0 H LYS A 98 4.430 2.327 -19.762 1.00 0.00 H new ATOM 0 HA LYS A 98 6.744 0.744 -20.594 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.376 3.044 -22.016 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.087 3.741 -20.574 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.394 1.351 -21.854 1.00 0.00 H new ATOM 0 HG3 LYS A 98 8.601 2.931 -22.583 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.629 3.813 -20.569 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.218 2.374 -19.658 1.00 0.00 H new ATOM 0 HE2 LYS A 98 10.675 1.001 -21.113 1.00 0.00 H new ATOM 0 HE3 LYS A 98 11.041 2.401 -22.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.797 2.472 -20.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.744 3.323 -19.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 12.027 1.668 -19.488 1.00 0.00 H new ATOM 1585 N GLY A 99 6.947 0.740 -18.149 1.00 0.00 N ATOM 1586 CA GLY A 99 7.258 0.687 -16.712 1.00 0.00 C ATOM 1587 C GLY A 99 8.323 1.696 -16.245 1.00 0.00 C ATOM 1588 O GLY A 99 8.303 2.185 -15.125 1.00 0.00 O ATOM 0 H GLY A 99 6.968 -0.170 -18.609 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.341 0.861 -16.149 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.597 -0.319 -16.465 1.00 0.00 H new ATOM 1592 N ASP A 100 9.262 1.935 -17.180 1.00 0.00 N ATOM 1593 CA ASP A 100 10.370 2.884 -17.055 1.00 0.00 C ATOM 1594 C ASP A 100 11.075 2.868 -15.687 1.00 0.00 C ATOM 1595 O ASP A 100 11.315 3.892 -15.060 1.00 0.00 O ATOM 1596 CB ASP A 100 9.863 4.286 -17.422 1.00 0.00 C ATOM 1597 CG ASP A 100 11.016 5.202 -17.863 1.00 0.00 C ATOM 1598 OD1 ASP A 100 11.589 4.950 -18.921 1.00 0.00 O ATOM 1599 OD2 ASP A 100 11.334 6.151 -17.147 1.00 0.00 O ATOM 0 H ASP A 100 9.264 1.449 -18.077 1.00 0.00 H new ATOM 0 HA ASP A 100 11.147 2.570 -17.752 1.00 0.00 H new ATOM 0 HB2 ASP A 100 9.129 4.211 -18.224 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.354 4.726 -16.565 1.00 0.00 H new ATOM 1604 N GLY A 101 11.395 1.632 -15.281 1.00 0.00 N ATOM 1605 CA GLY A 101 12.085 1.468 -14.007 1.00 0.00 C ATOM 1606 C GLY A 101 11.726 0.152 -13.345 1.00 0.00 C ATOM 1607 O GLY A 101 12.568 -0.561 -12.814 1.00 0.00 O ATOM 0 H GLY A 101 11.197 0.772 -15.792 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.162 1.514 -14.167 1.00 0.00 H new ATOM 0 HA3 GLY A 101 11.826 2.293 -13.343 1.00 0.00 H new ATOM 1611 N LEU A 102 10.408 -0.116 -13.420 1.00 0.00 N ATOM 1612 CA LEU A 102 9.854 -1.318 -12.843 1.00 0.00 C ATOM 1613 C LEU A 102 10.318 -2.544 -13.637 1.00 0.00 C ATOM 1614 O LEU A 102 10.772 -2.473 -14.773 1.00 0.00 O ATOM 1615 CB LEU A 102 8.323 -1.229 -12.839 1.00 0.00 C ATOM 1616 CG LEU A 102 7.737 0.074 -12.258 1.00 0.00 C ATOM 1617 CD1 LEU A 102 6.265 -0.144 -11.924 1.00 0.00 C ATOM 1618 CD2 LEU A 102 8.468 0.593 -11.010 1.00 0.00 C ATOM 0 H LEU A 102 9.725 0.490 -13.875 1.00 0.00 H new ATOM 0 HA LEU A 102 10.204 -1.420 -11.816 1.00 0.00 H new ATOM 0 HB2 LEU A 102 7.967 -1.343 -13.863 1.00 0.00 H new ATOM 0 HB3 LEU A 102 7.929 -2.070 -12.269 1.00 0.00 H new ATOM 0 HG LEU A 102 7.866 0.837 -13.026 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.845 0.774 -11.513 1.00 0.00 H new ATOM 0 HD12 LEU A 102 5.723 -0.417 -12.829 1.00 0.00 H new ATOM 0 HD13 LEU A 102 6.173 -0.945 -11.191 1.00 0.00 H new ATOM 0 HD21 LEU A 102 7.993 1.512 -10.666 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.420 -0.158 -10.221 1.00 0.00 H new ATOM 0 HD23 LEU A 102 9.511 0.794 -11.256 1.00 0.00 H new ATOM 1630 N CYS A 103 10.148 -3.660 -12.918 1.00 0.00 N ATOM 1631 CA CYS A 103 10.500 -4.989 -13.406 1.00 0.00 C ATOM 1632 C CYS A 103 9.686 -5.377 -14.664 1.00 0.00 C ATOM 1633 O CYS A 103 10.171 -6.098 -15.525 1.00 0.00 O ATOM 1634 CB CYS A 103 10.356 -5.993 -12.261 1.00 0.00 C ATOM 1635 SG CYS A 103 8.806 -5.777 -11.347 1.00 0.00 S ATOM 0 H CYS A 103 9.759 -3.661 -11.975 1.00 0.00 H new ATOM 0 HA CYS A 103 11.540 -4.994 -13.732 1.00 0.00 H new ATOM 0 HB2 CYS A 103 10.401 -7.006 -12.661 1.00 0.00 H new ATOM 0 HB3 CYS A 103 11.197 -5.883 -11.576 1.00 0.00 H new ATOM 0 HG CYS A 103 8.894 -4.727 -10.585 1.00 0.00 H new ATOM 1641 N GLN A 104 8.441 -4.848 -14.723 1.00 0.00 N ATOM 1642 CA GLN A 104 7.543 -5.042 -15.845 1.00 0.00 C ATOM 1643 C GLN A 104 7.013 -3.634 -16.182 1.00 0.00 C ATOM 1644 O GLN A 104 7.734 -2.645 -16.173 1.00 0.00 O ATOM 1645 CB GLN A 104 6.480 -6.135 -15.554 1.00 0.00 C ATOM 1646 CG GLN A 104 7.058 -7.531 -15.227 1.00 0.00 C ATOM 1647 CD GLN A 104 7.311 -7.763 -13.741 1.00 0.00 C ATOM 1648 OE1 GLN A 104 8.423 -8.024 -13.314 1.00 0.00 O ATOM 1649 NE2 GLN A 104 6.210 -7.668 -12.982 1.00 0.00 N ATOM 0 H GLN A 104 8.045 -4.273 -13.979 1.00 0.00 H new ATOM 0 HA GLN A 104 8.031 -5.451 -16.730 1.00 0.00 H new ATOM 0 HB2 GLN A 104 5.863 -5.808 -14.717 1.00 0.00 H new ATOM 0 HB3 GLN A 104 5.823 -6.223 -16.420 1.00 0.00 H new ATOM 0 HG2 GLN A 104 6.369 -8.293 -15.591 1.00 0.00 H new ATOM 0 HG3 GLN A 104 7.994 -7.662 -15.770 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.312 -7.445 -13.412 1.00 0.00 H new ATOM 0 HE22 GLN A 104 6.270 -7.818 -11.975 1.00 0.00 H new ATOM 1658 N LYS A 105 5.715 -3.642 -16.467 1.00 0.00 N ATOM 1659 CA LYS A 105 4.888 -2.506 -16.843 1.00 0.00 C ATOM 1660 C LYS A 105 3.449 -2.888 -16.472 1.00 0.00 C ATOM 1661 O LYS A 105 3.218 -4.045 -16.155 1.00 0.00 O ATOM 1662 CB LYS A 105 5.082 -2.304 -18.349 1.00 0.00 C ATOM 1663 CG LYS A 105 4.264 -3.273 -19.223 1.00 0.00 C ATOM 1664 CD LYS A 105 4.789 -3.362 -20.653 1.00 0.00 C ATOM 1665 CE LYS A 105 4.549 -2.041 -21.370 1.00 0.00 C ATOM 1666 NZ LYS A 105 4.962 -2.060 -22.770 1.00 0.00 N ATOM 0 H LYS A 105 5.176 -4.508 -16.438 1.00 0.00 H new ATOM 0 HA LYS A 105 5.140 -1.572 -16.341 1.00 0.00 H new ATOM 0 HB2 LYS A 105 4.808 -1.281 -18.606 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.139 -2.421 -18.587 1.00 0.00 H new ATOM 0 HG2 LYS A 105 4.281 -4.265 -18.772 1.00 0.00 H new ATOM 0 HG3 LYS A 105 3.224 -2.949 -19.242 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.854 -3.595 -20.646 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.289 -4.172 -21.185 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.489 -1.793 -21.315 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.089 -1.250 -20.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.080 -1.084 -23.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.865 -2.569 -22.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.236 -2.540 -23.340 1.00 0.00 H new ATOM 1680 N LEU A 106 2.499 -1.929 -16.542 1.00 0.00 N ATOM 1681 CA LEU A 106 1.127 -2.283 -16.150 1.00 0.00 C ATOM 1682 C LEU A 106 0.341 -2.885 -17.314 1.00 0.00 C ATOM 1683 O LEU A 106 0.715 -2.750 -18.472 1.00 0.00 O ATOM 1684 CB LEU A 106 0.281 -1.112 -15.612 1.00 0.00 C ATOM 1685 CG LEU A 106 1.009 -0.016 -14.824 1.00 0.00 C ATOM 1686 CD1 LEU A 106 0.056 0.658 -13.827 1.00 0.00 C ATOM 1687 CD2 LEU A 106 2.157 -0.578 -14.016 1.00 0.00 C ATOM 0 H LEU A 106 2.645 -0.966 -16.846 1.00 0.00 H new ATOM 0 HA LEU A 106 1.281 -3.002 -15.345 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.219 -0.642 -16.459 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.498 -1.526 -14.971 1.00 0.00 H new ATOM 0 HG LEU A 106 1.379 0.696 -15.561 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.592 1.432 -13.278 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.778 1.107 -14.367 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.324 -0.086 -13.127 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.648 0.229 -13.472 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.777 -1.315 -13.308 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.874 -1.054 -14.685 1.00 0.00 H new ATOM 1699 N THR A 107 -0.769 -3.546 -16.930 1.00 0.00 N ATOM 1700 CA THR A 107 -1.632 -4.163 -17.928 1.00 0.00 C ATOM 1701 C THR A 107 -3.091 -4.057 -17.509 1.00 0.00 C ATOM 1702 O THR A 107 -3.854 -3.293 -18.086 1.00 0.00 O ATOM 1703 CB THR A 107 -1.217 -5.631 -18.245 1.00 0.00 C ATOM 1704 OG1 THR A 107 -1.535 -6.742 -17.336 1.00 0.00 O ATOM 1705 CG2 THR A 107 0.280 -5.647 -18.658 1.00 0.00 C ATOM 0 H THR A 107 -1.074 -3.659 -15.963 1.00 0.00 H new ATOM 0 HA THR A 107 -1.509 -3.611 -18.860 1.00 0.00 H new ATOM 0 HB THR A 107 -1.911 -5.885 -19.046 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.705 -7.172 -17.042 1.00 0.00 H new ATOM 0 HG21 THR A 107 0.584 -6.669 -18.883 1.00 0.00 H new ATOM 0 HG22 THR A 107 0.420 -5.024 -19.541 1.00 0.00 H new ATOM 0 HG23 THR A 107 0.887 -5.259 -17.840 1.00 0.00 H new ATOM 1713 N LEU A 108 -3.417 -4.858 -16.472 1.00 0.00 N ATOM 1714 CA LEU A 108 -4.804 -4.864 -15.999 1.00 0.00 C ATOM 1715 C LEU A 108 -4.837 -4.904 -14.455 1.00 0.00 C ATOM 1716 O LEU A 108 -4.700 -5.961 -13.868 1.00 0.00 O ATOM 1717 CB LEU A 108 -5.518 -6.107 -16.512 1.00 0.00 C ATOM 1718 CG LEU A 108 -5.416 -6.369 -18.020 1.00 0.00 C ATOM 1719 CD1 LEU A 108 -5.745 -7.828 -18.339 1.00 0.00 C ATOM 1720 CD2 LEU A 108 -6.315 -5.403 -18.800 1.00 0.00 C ATOM 0 H LEU A 108 -2.774 -5.474 -15.974 1.00 0.00 H new ATOM 0 HA LEU A 108 -5.295 -3.962 -16.365 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.119 -6.974 -15.985 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -6.573 -6.031 -16.247 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.388 -6.188 -18.334 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.667 -7.992 -19.414 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.043 -8.481 -17.820 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.760 -8.052 -18.011 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -6.228 -5.606 -19.867 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -7.351 -5.538 -18.489 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -6.007 -4.377 -18.599 1.00 0.00 H new ATOM 1732 N PRO A 109 -5.060 -3.739 -13.802 1.00 0.00 N ATOM 1733 CA PRO A 109 -5.075 -3.645 -12.340 1.00 0.00 C ATOM 1734 C PRO A 109 -6.337 -4.293 -11.736 1.00 0.00 C ATOM 1735 O PRO A 109 -7.327 -3.653 -11.404 1.00 0.00 O ATOM 1736 CB PRO A 109 -5.025 -2.133 -12.086 1.00 0.00 C ATOM 1737 CG PRO A 109 -5.658 -1.516 -13.342 1.00 0.00 C ATOM 1738 CD PRO A 109 -5.378 -2.506 -14.480 1.00 0.00 C ATOM 0 HA PRO A 109 -4.249 -4.179 -11.871 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -5.579 -1.862 -11.187 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -4.001 -1.787 -11.946 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -6.729 -1.368 -13.207 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -5.226 -0.539 -13.558 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -6.245 -2.621 -15.131 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -4.551 -2.170 -15.106 1.00 0.00 H new ATOM 1746 N CYS A 110 -6.142 -5.621 -11.595 1.00 0.00 N ATOM 1747 CA CYS A 110 -7.079 -6.605 -11.067 1.00 0.00 C ATOM 1748 C CYS A 110 -8.466 -6.576 -11.753 1.00 0.00 C ATOM 1749 O CYS A 110 -8.895 -5.577 -12.315 1.00 0.00 O ATOM 1750 CB CYS A 110 -7.181 -6.461 -9.546 1.00 0.00 C ATOM 1751 SG CYS A 110 -7.987 -7.868 -8.741 1.00 0.00 S ATOM 0 H CYS A 110 -5.260 -6.053 -11.870 1.00 0.00 H new ATOM 0 HA CYS A 110 -6.678 -7.591 -11.302 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -6.180 -6.340 -9.132 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.735 -5.552 -9.311 1.00 0.00 H new ATOM 0 HG CYS A 110 -8.612 -7.460 -7.677 1.00 0.00 H new ATOM 1757 N VAL A 111 -9.144 -7.741 -11.674 1.00 0.00 N ATOM 1758 CA VAL A 111 -10.493 -7.838 -12.242 1.00 0.00 C ATOM 1759 C VAL A 111 -11.526 -7.356 -11.191 1.00 0.00 C ATOM 1760 O VAL A 111 -12.724 -7.334 -11.445 1.00 0.00 O ATOM 1761 CB VAL A 111 -10.787 -9.263 -12.752 1.00 0.00 C ATOM 1762 CG1 VAL A 111 -9.906 -9.615 -13.957 1.00 0.00 C ATOM 1763 CG2 VAL A 111 -10.647 -10.322 -11.651 1.00 0.00 C ATOM 0 H VAL A 111 -8.792 -8.594 -11.239 1.00 0.00 H new ATOM 0 HA VAL A 111 -10.567 -7.188 -13.114 1.00 0.00 H new ATOM 0 HB VAL A 111 -11.829 -9.268 -13.072 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -10.137 -10.626 -14.294 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.098 -8.910 -14.766 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -8.856 -9.559 -13.669 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -10.865 -11.307 -12.064 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -9.629 -10.309 -11.261 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -11.347 -10.103 -10.845 1.00 0.00 H new ATOM 1773 N ASN A 112 -10.986 -6.968 -10.007 1.00 0.00 N ATOM 1774 CA ASN A 112 -11.753 -6.454 -8.875 1.00 0.00 C ATOM 1775 C ASN A 112 -12.503 -7.602 -8.176 1.00 0.00 C ATOM 1776 O ASN A 112 -12.380 -8.765 -8.544 1.00 0.00 O ATOM 1777 CB ASN A 112 -12.696 -5.292 -9.276 1.00 0.00 C ATOM 1778 CG ASN A 112 -12.070 -4.237 -10.213 1.00 0.00 C ATOM 1779 OD1 ASN A 112 -12.765 -3.592 -10.986 1.00 0.00 O ATOM 1780 ND2 ASN A 112 -10.742 -4.081 -10.120 1.00 0.00 N ATOM 0 H ASN A 112 -9.984 -7.010 -9.823 1.00 0.00 H new ATOM 0 HA ASN A 112 -11.050 -6.026 -8.161 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -13.577 -5.711 -9.762 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -13.039 -4.793 -8.370 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -10.266 -3.399 -10.711 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -10.207 -4.644 -9.459 1.00 0.00 H new ATOM 1787 N LEU A 113 -13.268 -7.195 -7.141 1.00 0.00 N ATOM 1788 CA LEU A 113 -14.053 -8.143 -6.355 1.00 0.00 C ATOM 1789 C LEU A 113 -15.472 -7.593 -6.121 1.00 0.00 C ATOM 1790 O LEU A 113 -16.442 -8.124 -6.643 1.00 0.00 O ATOM 1791 CB LEU A 113 -13.357 -8.472 -5.018 1.00 0.00 C ATOM 1792 CG LEU A 113 -12.105 -9.364 -5.154 1.00 0.00 C ATOM 1793 CD1 LEU A 113 -10.811 -8.554 -5.304 1.00 0.00 C ATOM 1794 CD2 LEU A 113 -11.978 -10.301 -3.944 1.00 0.00 C ATOM 0 H LEU A 113 -13.352 -6.224 -6.840 1.00 0.00 H new ATOM 0 HA LEU A 113 -14.132 -9.073 -6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -13.072 -7.539 -4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -14.072 -8.968 -4.362 1.00 0.00 H new ATOM 0 HG LEU A 113 -12.240 -9.945 -6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -9.964 -9.234 -5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -10.873 -7.930 -6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -10.674 -7.921 -4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -11.090 -10.923 -4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -11.893 -9.709 -3.033 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -12.861 -10.937 -3.882 1.00 0.00 H new ATOM 1806 N ALA A 114 -15.512 -6.508 -5.313 1.00 0.00 N ATOM 1807 CA ALA A 114 -16.755 -5.824 -4.932 1.00 0.00 C ATOM 1808 C ALA A 114 -17.520 -6.616 -3.835 1.00 0.00 C ATOM 1809 O ALA A 114 -16.943 -7.532 -3.245 1.00 0.00 O ATOM 1810 CB ALA A 114 -17.634 -5.494 -6.153 1.00 0.00 C ATOM 1811 OXT ALA A 114 -18.682 -6.299 -3.577 1.00 0.00 O ATOM 0 H ALA A 114 -14.676 -6.086 -4.909 1.00 0.00 H new ATOM 0 HA ALA A 114 -16.481 -4.864 -4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -18.542 -4.989 -5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -17.084 -4.843 -6.832 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -17.900 -6.416 -6.670 1.00 0.00 H new TER 1817 ALA A 114