USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 814 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 26 THR OG1 : rot 180:sc= 0.095 USER MOD Set 1.2: A 30 THR OG1 : rot 180:sc= 0.00734 USER MOD Single : A 1 ASP N :NH3+ -171:sc= -0.0171 (180deg=-0.162) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 64:sc= 0.913 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.432 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 74:sc= -2.55! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.813! C(o=-0.81!,f=-7.7!) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= -1.92! USER MOD Single : A 37 TYR OH : rot 166:sc= 1.25 USER MOD Single : A 38 SER OG : rot 65:sc= 0.587 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -132:sc= 1.42 USER MOD Single : A 53 SER OG : rot -168:sc= 0.475 USER MOD Single : A 55 ASN : amide:sc= -2.5! C(o=-2.5!,f=-2.8!) USER MOD Single : A 57 MET CE :methyl -159:sc= -0.063 (180deg=-0.935) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.54 K(o=-0.54,f=-0.036) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0568 USER MOD Single : A 73 SER OG : rot 20:sc= 1.01 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc=-0.00253 X(o=-0.0025,f=-0.0025) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -102:sc=-0.00164 (180deg=-0.0853) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl -125:sc= -1.7 (180deg=-3.38!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -7.28! C(o=-7.3!,f=-4.1!) USER MOD Single : A 102 ASN : amide:sc= -0.681 K(o=-0.68,f=-9.7!) USER MOD Single : A 103 HIS : no HE2:sc= -3.78! C(o=-3.8!,f=-8.6!) USER MOD Single : A 104 HIS : no HD1:sc= -0.695 K(o=-0.7,f=-3.1!) USER MOD Single : A 106 HIS : no HD1:sc= -1.99! K(o=-2!,f=-0.93) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 63:sc= 0.523 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 16.139 -1.256 23.145 1.00 50.00 N ATOM 2 CA ASP A 1 15.448 -2.058 24.195 1.00 50.00 C ATOM 3 C ASP A 1 13.956 -2.180 23.872 1.00 50.00 C ATOM 4 O ASP A 1 13.315 -3.155 24.211 1.00 50.00 O ATOM 5 CB ASP A 1 15.652 -1.274 25.492 1.00 50.00 C ATOM 6 CG ASP A 1 14.825 -1.911 26.610 1.00 50.00 C ATOM 7 OD1 ASP A 1 14.230 -2.947 26.363 1.00 50.00 O ATOM 8 OD2 ASP A 1 14.801 -1.353 27.695 1.00 50.00 O ATOM 0 H1 ASP A 1 17.168 -1.307 23.290 1.00 50.00 H new ATOM 0 H2 ASP A 1 15.902 -1.636 22.206 1.00 50.00 H new ATOM 0 H3 ASP A 1 15.830 -0.265 23.206 1.00 50.00 H new ATOM 0 HA ASP A 1 15.842 -3.072 24.265 1.00 50.00 H new ATOM 0 HB2 ASP A 1 16.708 -1.269 25.764 1.00 50.00 H new ATOM 0 HB3 ASP A 1 15.354 -0.235 25.352 1.00 50.00 H new ATOM 15 N LYS A 2 13.401 -1.198 23.217 1.00 50.00 N ATOM 16 CA LYS A 2 11.951 -1.258 22.872 1.00 50.00 C ATOM 17 C LYS A 2 11.629 -0.244 21.771 1.00 50.00 C ATOM 18 O LYS A 2 12.365 0.696 21.544 1.00 50.00 O ATOM 19 CB LYS A 2 11.221 -0.896 24.165 1.00 50.00 C ATOM 20 CG LYS A 2 9.824 -1.520 24.157 1.00 50.00 C ATOM 21 CD LYS A 2 9.932 -3.016 24.460 1.00 50.00 C ATOM 22 CE LYS A 2 8.543 -3.655 24.389 1.00 50.00 C ATOM 23 NZ LYS A 2 8.730 -5.039 24.905 1.00 50.00 N ATOM 0 H LYS A 2 13.887 -0.357 22.906 1.00 50.00 H new ATOM 0 HA LYS A 2 11.655 -2.238 22.498 1.00 50.00 H new ATOM 0 HB2 LYS A 2 11.786 -1.254 25.026 1.00 50.00 H new ATOM 0 HB3 LYS A 2 11.146 0.187 24.261 1.00 50.00 H new ATOM 0 HG2 LYS A 2 9.192 -1.032 24.899 1.00 50.00 H new ATOM 0 HG3 LYS A 2 9.352 -1.368 23.187 1.00 50.00 H new ATOM 0 HD2 LYS A 2 10.601 -3.495 23.745 1.00 50.00 H new ATOM 0 HD3 LYS A 2 10.363 -3.167 25.450 1.00 50.00 H new ATOM 0 HE2 LYS A 2 7.823 -3.103 24.993 1.00 50.00 H new ATOM 0 HE3 LYS A 2 8.163 -3.662 23.367 1.00 50.00 H new ATOM 0 HZ1 LYS A 2 7.820 -5.542 24.888 1.00 50.00 H new ATOM 0 HZ2 LYS A 2 9.416 -5.543 24.307 1.00 50.00 H new ATOM 0 HZ3 LYS A 2 9.085 -5.000 25.882 1.00 50.00 H new ATOM 37 N LEU A 3 10.535 -0.428 21.084 1.00 50.00 N ATOM 38 CA LEU A 3 10.166 0.525 19.998 1.00 50.00 C ATOM 39 C LEU A 3 9.553 1.794 20.595 1.00 50.00 C ATOM 40 O LEU A 3 8.553 1.746 21.283 1.00 50.00 O ATOM 41 CB LEU A 3 9.138 -0.220 19.147 1.00 50.00 C ATOM 42 CG LEU A 3 7.945 -0.618 20.017 1.00 50.00 C ATOM 43 CD1 LEU A 3 6.733 0.236 19.644 1.00 50.00 C ATOM 44 CD2 LEU A 3 7.619 -2.095 19.787 1.00 50.00 C ATOM 0 H LEU A 3 9.880 -1.197 21.227 1.00 50.00 H new ATOM 0 HA LEU A 3 11.030 0.836 19.411 1.00 50.00 H new ATOM 0 HB2 LEU A 3 8.806 0.412 18.323 1.00 50.00 H new ATOM 0 HB3 LEU A 3 9.591 -1.107 18.705 1.00 50.00 H new ATOM 0 HG LEU A 3 8.191 -0.458 21.067 1.00 50.00 H new ATOM 0 HD11 LEU A 3 5.883 -0.048 20.264 1.00 50.00 H new ATOM 0 HD12 LEU A 3 6.965 1.288 19.807 1.00 50.00 H new ATOM 0 HD13 LEU A 3 6.485 0.077 18.594 1.00 50.00 H new ATOM 0 HD21 LEU A 3 6.769 -2.381 20.406 1.00 50.00 H new ATOM 0 HD22 LEU A 3 7.373 -2.254 18.737 1.00 50.00 H new ATOM 0 HD23 LEU A 3 8.483 -2.704 20.053 1.00 50.00 H new ATOM 56 N ALA A 4 10.143 2.928 20.336 1.00 50.00 N ATOM 57 CA ALA A 4 9.592 4.199 20.889 1.00 50.00 C ATOM 58 C ALA A 4 8.768 4.925 19.822 1.00 50.00 C ATOM 59 O ALA A 4 9.291 5.673 19.022 1.00 50.00 O ATOM 60 CB ALA A 4 10.817 5.028 21.275 1.00 50.00 C ATOM 0 H ALA A 4 10.982 3.030 19.766 1.00 50.00 H new ATOM 0 HA ALA A 4 8.932 4.028 21.739 1.00 50.00 H new ATOM 0 HB1 ALA A 4 10.494 5.982 21.692 1.00 50.00 H new ATOM 0 HB2 ALA A 4 11.403 4.487 22.018 1.00 50.00 H new ATOM 0 HB3 ALA A 4 11.429 5.207 20.391 1.00 50.00 H new ATOM 66 N LEU A 5 7.482 4.709 19.807 1.00 50.00 N ATOM 67 CA LEU A 5 6.625 5.387 18.794 1.00 50.00 C ATOM 68 C LEU A 5 5.721 6.415 19.477 1.00 50.00 C ATOM 69 O LEU A 5 5.156 6.161 20.521 1.00 50.00 O ATOM 70 CB LEU A 5 5.788 4.269 18.171 1.00 50.00 C ATOM 71 CG LEU A 5 5.212 4.747 16.838 1.00 50.00 C ATOM 72 CD1 LEU A 5 6.091 4.247 15.690 1.00 50.00 C ATOM 73 CD2 LEU A 5 3.794 4.195 16.670 1.00 50.00 C ATOM 0 H LEU A 5 6.987 4.093 20.452 1.00 50.00 H new ATOM 0 HA LEU A 5 7.211 5.922 18.046 1.00 50.00 H new ATOM 0 HB2 LEU A 5 6.403 3.382 18.017 1.00 50.00 H new ATOM 0 HB3 LEU A 5 4.982 3.984 18.847 1.00 50.00 H new ATOM 0 HG LEU A 5 5.185 5.837 16.825 1.00 50.00 H new ATOM 0 HD11 LEU A 5 5.679 4.589 14.741 1.00 50.00 H new ATOM 0 HD12 LEU A 5 7.102 4.638 15.809 1.00 50.00 H new ATOM 0 HD13 LEU A 5 6.120 3.157 15.702 1.00 50.00 H new ATOM 0 HD21 LEU A 5 3.381 4.535 15.720 1.00 50.00 H new ATOM 0 HD22 LEU A 5 3.824 3.105 16.684 1.00 50.00 H new ATOM 0 HD23 LEU A 5 3.166 4.551 17.486 1.00 50.00 H new ATOM 85 N LYS A 6 5.578 7.574 18.897 1.00 50.00 N ATOM 86 CA LYS A 6 4.707 8.611 19.519 1.00 50.00 C ATOM 87 C LYS A 6 3.765 9.209 18.472 1.00 50.00 C ATOM 88 O LYS A 6 3.954 9.042 17.284 1.00 50.00 O ATOM 89 CB LYS A 6 5.670 9.675 20.048 1.00 50.00 C ATOM 90 CG LYS A 6 6.574 10.158 18.913 1.00 50.00 C ATOM 91 CD LYS A 6 7.976 9.572 19.092 1.00 50.00 C ATOM 92 CE LYS A 6 8.851 9.968 17.901 1.00 50.00 C ATOM 93 NZ LYS A 6 9.802 10.978 18.442 1.00 50.00 N ATOM 0 H LYS A 6 6.025 7.848 18.022 1.00 50.00 H new ATOM 0 HA LYS A 6 4.080 8.202 20.311 1.00 50.00 H new ATOM 0 HB2 LYS A 6 5.110 10.513 20.462 1.00 50.00 H new ATOM 0 HB3 LYS A 6 6.273 9.264 20.857 1.00 50.00 H new ATOM 0 HG2 LYS A 6 6.161 9.854 17.951 1.00 50.00 H new ATOM 0 HG3 LYS A 6 6.621 11.247 18.910 1.00 50.00 H new ATOM 0 HD2 LYS A 6 8.418 9.937 20.019 1.00 50.00 H new ATOM 0 HD3 LYS A 6 7.920 8.486 19.171 1.00 50.00 H new ATOM 0 HE2 LYS A 6 9.380 9.105 17.495 1.00 50.00 H new ATOM 0 HE3 LYS A 6 8.251 10.384 17.091 1.00 50.00 H new ATOM 0 HZ1 LYS A 6 10.437 11.299 17.683 1.00 50.00 H new ATOM 0 HZ2 LYS A 6 9.271 11.790 18.815 1.00 50.00 H new ATOM 0 HZ3 LYS A 6 10.364 10.551 19.206 1.00 50.00 H new ATOM 107 N GLY A 7 2.750 9.907 18.904 1.00 50.00 N ATOM 108 CA GLY A 7 1.797 10.517 17.934 1.00 50.00 C ATOM 109 C GLY A 7 2.067 12.017 17.824 1.00 50.00 C ATOM 110 O GLY A 7 1.241 12.775 17.355 1.00 50.00 O ATOM 0 H GLY A 7 2.540 10.081 19.887 1.00 50.00 H new ATOM 0 HA2 GLY A 7 1.905 10.045 16.957 1.00 50.00 H new ATOM 0 HA3 GLY A 7 0.771 10.345 18.260 1.00 50.00 H new ATOM 114 N THR A 8 3.219 12.455 18.254 1.00 50.00 N ATOM 115 CA THR A 8 3.541 13.908 18.175 1.00 50.00 C ATOM 116 C THR A 8 4.477 14.179 16.994 1.00 50.00 C ATOM 117 O THR A 8 5.668 13.946 17.066 1.00 50.00 O ATOM 118 CB THR A 8 4.237 14.233 19.498 1.00 50.00 C ATOM 119 OG1 THR A 8 5.567 13.735 19.466 1.00 50.00 O ATOM 120 CG2 THR A 8 3.473 13.583 20.653 1.00 50.00 C ATOM 0 H THR A 8 3.951 11.869 18.656 1.00 50.00 H new ATOM 0 HA THR A 8 2.652 14.520 18.022 1.00 50.00 H new ATOM 0 HB THR A 8 4.257 15.313 19.643 1.00 50.00 H new ATOM 0 HG1 THR A 8 6.073 14.199 18.766 1.00 50.00 H new ATOM 0 HG21 THR A 8 3.970 13.816 21.595 1.00 50.00 H new ATOM 0 HG22 THR A 8 2.453 13.967 20.677 1.00 50.00 H new ATOM 0 HG23 THR A 8 3.450 12.502 20.512 1.00 50.00 H new ATOM 128 N THR A 9 3.948 14.672 15.907 1.00 50.00 N ATOM 129 CA THR A 9 4.809 14.959 14.723 1.00 50.00 C ATOM 130 C THR A 9 4.168 16.045 13.855 1.00 50.00 C ATOM 131 O THR A 9 3.125 16.577 14.180 1.00 50.00 O ATOM 132 CB THR A 9 4.885 13.637 13.958 1.00 50.00 C ATOM 133 OG1 THR A 9 5.395 13.875 12.653 1.00 50.00 O ATOM 134 CG2 THR A 9 3.489 13.021 13.858 1.00 50.00 C ATOM 0 H THR A 9 2.958 14.888 15.787 1.00 50.00 H new ATOM 0 HA THR A 9 5.796 15.322 15.009 1.00 50.00 H new ATOM 0 HB THR A 9 5.545 12.949 14.487 1.00 50.00 H new ATOM 0 HG1 THR A 9 5.446 13.028 12.162 1.00 50.00 H new ATOM 0 HG21 THR A 9 3.545 12.079 13.312 1.00 50.00 H new ATOM 0 HG22 THR A 9 3.100 12.838 14.859 1.00 50.00 H new ATOM 0 HG23 THR A 9 2.826 13.707 13.331 1.00 50.00 H new ATOM 142 N TYR A 10 4.783 16.378 12.753 1.00 50.00 N ATOM 143 CA TYR A 10 4.207 17.429 11.866 1.00 50.00 C ATOM 144 C TYR A 10 2.713 17.182 11.650 1.00 50.00 C ATOM 145 O TYR A 10 2.169 16.186 12.085 1.00 50.00 O ATOM 146 CB TYR A 10 4.970 17.298 10.548 1.00 50.00 C ATOM 147 CG TYR A 10 5.963 18.430 10.430 1.00 50.00 C ATOM 148 CD1 TYR A 10 5.515 19.728 10.161 1.00 50.00 C ATOM 149 CD2 TYR A 10 7.331 18.180 10.594 1.00 50.00 C ATOM 150 CE1 TYR A 10 6.435 20.778 10.053 1.00 50.00 C ATOM 151 CE2 TYR A 10 8.251 19.230 10.488 1.00 50.00 C ATOM 152 CZ TYR A 10 7.803 20.528 10.218 1.00 50.00 C ATOM 153 OH TYR A 10 8.710 21.563 10.113 1.00 49.57 O ATOM 0 H TYR A 10 5.659 15.968 12.429 1.00 50.00 H new ATOM 0 HA TYR A 10 4.303 18.427 12.294 1.00 50.00 H new ATOM 0 HB2 TYR A 10 5.488 16.340 10.508 1.00 50.00 H new ATOM 0 HB3 TYR A 10 4.275 17.320 9.709 1.00 50.00 H new ATOM 0 HD1 TYR A 10 4.460 19.920 10.037 1.00 50.00 H new ATOM 0 HD2 TYR A 10 7.676 17.178 10.802 1.00 50.00 H new ATOM 0 HE1 TYR A 10 6.090 21.780 9.843 1.00 50.00 H new ATOM 0 HE2 TYR A 10 9.306 19.038 10.615 1.00 50.00 H new ATOM 0 HH TYR A 10 9.617 21.219 10.255 1.00 49.57 H new ATOM 163 N GLY A 11 2.043 18.083 10.983 1.00 50.00 N ATOM 164 CA GLY A 11 0.583 17.901 10.742 1.00 50.00 C ATOM 165 C GLY A 11 0.368 16.844 9.658 1.00 50.00 C ATOM 166 O GLY A 11 0.877 16.952 8.560 1.00 50.00 O ATOM 0 H GLY A 11 2.444 18.937 10.595 1.00 50.00 H new ATOM 0 HA2 GLY A 11 0.088 17.597 11.664 1.00 50.00 H new ATOM 0 HA3 GLY A 11 0.134 18.846 10.436 1.00 50.00 H new ATOM 170 N MET A 12 -0.386 15.822 9.957 1.00 50.00 N ATOM 171 CA MET A 12 -0.641 14.757 8.944 1.00 50.00 C ATOM 172 C MET A 12 -1.695 15.231 7.939 1.00 50.00 C ATOM 173 O MET A 12 -2.842 15.435 8.282 1.00 50.00 O ATOM 174 CB MET A 12 -1.163 13.567 9.749 1.00 50.00 C ATOM 175 CG MET A 12 -2.480 13.948 10.428 1.00 50.00 C ATOM 176 SD MET A 12 -2.668 12.999 11.958 1.00 50.00 S ATOM 177 CE MET A 12 -4.362 12.435 11.666 1.00 50.00 C ATOM 0 H MET A 12 -0.837 15.678 10.860 1.00 50.00 H new ATOM 0 HA MET A 12 0.252 14.502 8.373 1.00 50.00 H new ATOM 0 HB2 MET A 12 -1.314 12.709 9.094 1.00 50.00 H new ATOM 0 HB3 MET A 12 -0.428 13.270 10.497 1.00 50.00 H new ATOM 0 HG2 MET A 12 -2.493 15.016 10.646 1.00 50.00 H new ATOM 0 HG3 MET A 12 -3.317 13.749 9.759 1.00 50.00 H new ATOM 0 HE1 MET A 12 -4.690 11.819 12.503 1.00 50.00 H new ATOM 0 HE2 MET A 12 -5.021 13.298 11.570 1.00 50.00 H new ATOM 0 HE3 MET A 12 -4.397 11.848 10.748 1.00 50.00 H new ATOM 187 N CYS A 13 -1.318 15.403 6.701 1.00 99.99 N ATOM 188 CA CYS A 13 -2.307 15.860 5.684 1.00 99.99 C ATOM 189 C CYS A 13 -1.964 15.290 4.301 1.00 99.99 C ATOM 190 O CYS A 13 -1.016 15.695 3.662 1.00 99.99 O ATOM 191 CB CYS A 13 -2.210 17.393 5.706 1.00 99.99 C ATOM 192 SG CYS A 13 -0.741 17.960 4.801 1.00 99.99 S ATOM 0 H CYS A 13 -0.373 15.248 6.351 1.00 99.99 H new ATOM 0 HA CYS A 13 -3.319 15.519 5.902 1.00 99.99 H new ATOM 0 HB2 CYS A 13 -3.106 17.825 5.261 1.00 99.99 H new ATOM 0 HB3 CYS A 13 -2.165 17.744 6.737 1.00 99.99 H new ATOM 197 N THR A 14 -2.738 14.350 3.829 1.00 99.99 N ATOM 198 CA THR A 14 -2.456 13.758 2.488 1.00 99.99 C ATOM 199 C THR A 14 -3.697 13.043 1.946 1.00 99.99 C ATOM 200 O THR A 14 -3.613 11.949 1.425 1.00 99.99 O ATOM 201 CB THR A 14 -1.321 12.760 2.722 1.00 99.99 C ATOM 202 OG1 THR A 14 -0.775 12.961 4.017 1.00 99.99 O ATOM 203 CG2 THR A 14 -0.234 12.967 1.669 1.00 99.99 C ATOM 0 H THR A 14 -3.551 13.967 4.312 1.00 99.99 H new ATOM 0 HA THR A 14 -2.186 14.518 1.755 1.00 99.99 H new ATOM 0 HB THR A 14 -1.708 11.744 2.646 1.00 99.99 H new ATOM 0 HG1 THR A 14 -1.398 12.618 4.691 1.00 99.99 H new ATOM 0 HG21 THR A 14 0.575 12.256 1.836 1.00 99.99 H new ATOM 0 HG22 THR A 14 -0.655 12.811 0.676 1.00 99.99 H new ATOM 0 HG23 THR A 14 0.155 13.982 1.743 1.00 99.99 H new ATOM 211 N GLU A 15 -4.846 13.646 2.066 1.00 99.99 N ATOM 212 CA GLU A 15 -6.086 12.989 1.557 1.00 99.99 C ATOM 213 C GLU A 15 -6.169 13.102 0.030 1.00 99.99 C ATOM 214 O GLU A 15 -7.183 12.801 -0.566 1.00 99.99 O ATOM 215 CB GLU A 15 -7.236 13.753 2.214 1.00 99.99 C ATOM 216 CG GLU A 15 -7.414 15.108 1.526 1.00 99.99 C ATOM 217 CD GLU A 15 -8.658 15.069 0.636 1.00 99.99 C ATOM 218 OE1 GLU A 15 -9.067 13.980 0.270 1.00 99.99 O ATOM 219 OE2 GLU A 15 -9.179 16.130 0.334 1.00 99.99 O ATOM 0 H GLU A 15 -4.982 14.562 2.493 1.00 99.99 H new ATOM 0 HA GLU A 15 -6.112 11.925 1.793 1.00 99.99 H new ATOM 0 HB2 GLU A 15 -8.157 13.175 2.143 1.00 99.99 H new ATOM 0 HB3 GLU A 15 -7.031 13.897 3.275 1.00 99.99 H new ATOM 0 HG2 GLU A 15 -7.512 15.897 2.272 1.00 99.99 H new ATOM 0 HG3 GLU A 15 -6.533 15.343 0.928 1.00 99.99 H new ATOM 226 N LYS A 16 -5.114 13.532 -0.610 1.00 50.00 N ATOM 227 CA LYS A 16 -5.149 13.659 -2.097 1.00 50.00 C ATOM 228 C LYS A 16 -4.226 12.624 -2.748 1.00 50.00 C ATOM 229 O LYS A 16 -3.280 12.963 -3.431 1.00 50.00 O ATOM 230 CB LYS A 16 -4.655 15.077 -2.387 1.00 50.00 C ATOM 231 CG LYS A 16 -3.407 15.370 -1.550 1.00 50.00 C ATOM 232 CD LYS A 16 -3.803 16.162 -0.303 1.00 50.00 C ATOM 233 CE LYS A 16 -3.780 17.659 -0.619 1.00 50.00 C ATOM 234 NZ LYS A 16 -3.164 18.295 0.578 1.00 50.00 N ATOM 0 H LYS A 16 -4.233 13.800 -0.170 1.00 50.00 H new ATOM 0 HA LYS A 16 -6.147 13.484 -2.498 1.00 50.00 H new ATOM 0 HB2 LYS A 16 -4.427 15.183 -3.447 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -5.438 15.800 -2.156 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -2.922 14.437 -1.262 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -2.686 15.936 -2.139 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -4.798 15.865 0.028 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -3.116 15.942 0.514 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -3.199 17.864 -1.518 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -4.786 18.041 -0.796 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -3.113 19.324 0.437 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -3.742 18.089 1.417 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -2.205 17.917 0.717 1.00 50.00 H new ATOM 248 N PHE A 17 -4.497 11.362 -2.550 1.00 50.00 N ATOM 249 CA PHE A 17 -3.640 10.306 -3.165 1.00 50.00 C ATOM 250 C PHE A 17 -4.245 9.850 -4.496 1.00 50.00 C ATOM 251 O PHE A 17 -5.447 9.858 -4.677 1.00 50.00 O ATOM 252 CB PHE A 17 -3.640 9.157 -2.154 1.00 50.00 C ATOM 253 CG PHE A 17 -2.231 8.911 -1.675 1.00 50.00 C ATOM 254 CD1 PHE A 17 -1.517 9.936 -1.041 1.00 50.00 C ATOM 255 CD2 PHE A 17 -1.636 7.659 -1.865 1.00 50.00 C ATOM 256 CE1 PHE A 17 -0.208 9.708 -0.598 1.00 50.00 C ATOM 257 CE2 PHE A 17 -0.327 7.430 -1.423 1.00 50.00 C ATOM 258 CZ PHE A 17 0.386 8.454 -0.789 1.00 50.00 C ATOM 0 H PHE A 17 -5.275 11.016 -1.989 1.00 50.00 H new ATOM 0 HA PHE A 17 -2.631 10.661 -3.377 1.00 50.00 H new ATOM 0 HB2 PHE A 17 -4.285 9.401 -1.310 1.00 50.00 H new ATOM 0 HB3 PHE A 17 -4.043 8.254 -2.613 1.00 50.00 H new ATOM 0 HD1 PHE A 17 -1.976 10.902 -0.894 1.00 50.00 H new ATOM 0 HD2 PHE A 17 -2.187 6.868 -2.353 1.00 50.00 H new ATOM 0 HE1 PHE A 17 0.343 10.498 -0.110 1.00 50.00 H new ATOM 0 HE2 PHE A 17 0.132 6.464 -1.571 1.00 50.00 H new ATOM 0 HZ PHE A 17 1.395 8.277 -0.447 1.00 50.00 H new ATOM 268 N SER A 18 -3.424 9.455 -5.431 1.00 50.00 N ATOM 269 CA SER A 18 -3.959 9.002 -6.749 1.00 50.00 C ATOM 270 C SER A 18 -3.445 7.598 -7.072 1.00 50.00 C ATOM 271 O SER A 18 -2.266 7.393 -7.271 1.00 50.00 O ATOM 272 CB SER A 18 -3.427 10.013 -7.763 1.00 50.00 C ATOM 273 OG SER A 18 -3.730 9.563 -9.077 1.00 50.00 O ATOM 0 H SER A 18 -2.408 9.426 -5.341 1.00 50.00 H new ATOM 0 HA SER A 18 -5.048 8.952 -6.757 1.00 50.00 H new ATOM 0 HB2 SER A 18 -3.875 10.991 -7.589 1.00 50.00 H new ATOM 0 HB3 SER A 18 -2.350 10.131 -7.646 1.00 50.00 H new ATOM 0 HG SER A 18 -3.391 10.210 -9.731 1.00 50.00 H new ATOM 279 N PHE A 19 -4.319 6.631 -7.127 1.00 50.00 N ATOM 280 CA PHE A 19 -3.872 5.241 -7.439 1.00 50.00 C ATOM 281 C PHE A 19 -3.313 5.173 -8.861 1.00 50.00 C ATOM 282 O PHE A 19 -4.029 5.333 -9.829 1.00 50.00 O ATOM 283 CB PHE A 19 -5.125 4.372 -7.319 1.00 50.00 C ATOM 284 CG PHE A 19 -5.944 4.813 -6.129 1.00 50.00 C ATOM 285 CD1 PHE A 19 -5.523 4.493 -4.834 1.00 50.00 C ATOM 286 CD2 PHE A 19 -7.122 5.544 -6.323 1.00 50.00 C ATOM 287 CE1 PHE A 19 -6.281 4.903 -3.730 1.00 50.00 C ATOM 288 CE2 PHE A 19 -7.880 5.954 -5.220 1.00 50.00 C ATOM 289 CZ PHE A 19 -7.459 5.634 -3.924 1.00 50.00 C ATOM 0 H PHE A 19 -5.321 6.741 -6.970 1.00 50.00 H new ATOM 0 HA PHE A 19 -3.083 4.907 -6.766 1.00 50.00 H new ATOM 0 HB2 PHE A 19 -5.720 4.448 -8.229 1.00 50.00 H new ATOM 0 HB3 PHE A 19 -4.843 3.325 -7.209 1.00 50.00 H new ATOM 0 HD1 PHE A 19 -4.614 3.930 -4.685 1.00 50.00 H new ATOM 0 HD2 PHE A 19 -7.446 5.791 -7.323 1.00 50.00 H new ATOM 0 HE1 PHE A 19 -5.957 4.655 -2.730 1.00 50.00 H new ATOM 0 HE2 PHE A 19 -8.789 6.517 -5.369 1.00 50.00 H new ATOM 0 HZ PHE A 19 -8.043 5.951 -3.073 1.00 50.00 H new ATOM 299 N ALA A 20 -2.038 4.936 -8.996 1.00 50.00 N ATOM 300 CA ALA A 20 -1.435 4.856 -10.356 1.00 50.00 C ATOM 301 C ALA A 20 -1.340 3.395 -10.806 1.00 50.00 C ATOM 302 O ALA A 20 -1.458 3.089 -11.976 1.00 50.00 O ATOM 303 CB ALA A 20 -0.041 5.465 -10.209 1.00 50.00 C ATOM 0 H ALA A 20 -1.387 4.794 -8.223 1.00 50.00 H new ATOM 0 HA ALA A 20 -2.030 5.380 -11.104 1.00 50.00 H new ATOM 0 HB1 ALA A 20 0.469 5.443 -11.172 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -0.129 6.497 -9.869 1.00 50.00 H new ATOM 0 HB3 ALA A 20 0.532 4.891 -9.481 1.00 50.00 H new ATOM 309 N LYS A 21 -1.126 2.492 -9.887 1.00 50.00 N ATOM 310 CA LYS A 21 -1.021 1.053 -10.265 1.00 50.00 C ATOM 311 C LYS A 21 -1.753 0.182 -9.241 1.00 50.00 C ATOM 312 O LYS A 21 -2.048 0.614 -8.144 1.00 50.00 O ATOM 313 CB LYS A 21 0.478 0.742 -10.255 1.00 50.00 C ATOM 314 CG LYS A 21 1.258 1.943 -10.798 1.00 50.00 C ATOM 315 CD LYS A 21 2.523 1.455 -11.504 1.00 50.00 C ATOM 316 CE LYS A 21 2.357 1.629 -13.014 1.00 50.00 C ATOM 317 NZ LYS A 21 2.990 0.423 -13.613 1.00 50.00 N ATOM 0 H LYS A 21 -1.019 2.688 -8.892 1.00 50.00 H new ATOM 0 HA LYS A 21 -1.471 0.851 -11.237 1.00 50.00 H new ATOM 0 HB2 LYS A 21 0.805 0.512 -9.241 1.00 50.00 H new ATOM 0 HB3 LYS A 21 0.680 -0.140 -10.863 1.00 50.00 H new ATOM 0 HG2 LYS A 21 0.637 2.509 -11.492 1.00 50.00 H new ATOM 0 HG3 LYS A 21 1.521 2.617 -9.983 1.00 50.00 H new ATOM 0 HD2 LYS A 21 3.389 2.018 -11.154 1.00 50.00 H new ATOM 0 HD3 LYS A 21 2.706 0.407 -11.265 1.00 50.00 H new ATOM 0 HE2 LYS A 21 1.305 1.700 -13.290 1.00 50.00 H new ATOM 0 HE3 LYS A 21 2.840 2.542 -13.361 1.00 50.00 H new ATOM 0 HZ1 LYS A 21 2.916 0.470 -14.649 1.00 50.00 H new ATOM 0 HZ2 LYS A 21 3.993 0.385 -13.339 1.00 50.00 H new ATOM 0 HZ3 LYS A 21 2.505 -0.430 -13.270 1.00 50.00 H new ATOM 331 N ASN A 22 -2.048 -1.041 -9.589 1.00 50.00 N ATOM 332 CA ASN A 22 -2.758 -1.937 -8.633 1.00 50.00 C ATOM 333 C ASN A 22 -1.783 -2.454 -7.572 1.00 50.00 C ATOM 334 O ASN A 22 -0.582 -2.367 -7.738 1.00 50.00 O ATOM 335 CB ASN A 22 -3.285 -3.091 -9.488 1.00 50.00 C ATOM 336 CG ASN A 22 -2.117 -3.775 -10.200 1.00 50.00 C ATOM 337 OD1 ASN A 22 -1.034 -3.231 -10.277 1.00 50.00 O ATOM 338 ND2 ASN A 22 -2.293 -4.956 -10.728 1.00 50.00 N ATOM 0 H ASN A 22 -1.828 -1.458 -10.494 1.00 50.00 H new ATOM 0 HA ASN A 22 -3.561 -1.424 -8.103 1.00 50.00 H new ATOM 0 HB2 ASN A 22 -3.814 -3.810 -8.862 1.00 50.00 H new ATOM 0 HB3 ASN A 22 -4.002 -2.718 -10.219 1.00 50.00 H new ATOM 0 HD21 ASN A 22 -1.521 -5.422 -11.205 1.00 50.00 H new ATOM 0 HD22 ASN A 22 -3.203 -5.413 -10.663 1.00 50.00 H new ATOM 345 N PRO A 23 -2.336 -2.978 -6.513 1.00 50.00 N ATOM 346 CA PRO A 23 -1.506 -3.518 -5.407 1.00 50.00 C ATOM 347 C PRO A 23 -0.817 -4.816 -5.840 1.00 50.00 C ATOM 348 O PRO A 23 -1.451 -5.742 -6.304 1.00 50.00 O ATOM 349 CB PRO A 23 -2.520 -3.782 -4.296 1.00 50.00 C ATOM 350 CG PRO A 23 -3.824 -3.967 -5.003 1.00 50.00 C ATOM 351 CD PRO A 23 -3.772 -3.118 -6.246 1.00 50.00 C ATOM 0 HA PRO A 23 -0.709 -2.842 -5.098 1.00 50.00 H new ATOM 0 HB2 PRO A 23 -2.253 -4.668 -3.720 1.00 50.00 H new ATOM 0 HB3 PRO A 23 -2.565 -2.948 -3.596 1.00 50.00 H new ATOM 0 HG2 PRO A 23 -3.980 -5.015 -5.258 1.00 50.00 H new ATOM 0 HG3 PRO A 23 -4.655 -3.667 -4.365 1.00 50.00 H new ATOM 0 HD2 PRO A 23 -4.289 -3.595 -7.078 1.00 50.00 H new ATOM 0 HD3 PRO A 23 -4.246 -2.149 -6.089 1.00 50.00 H new ATOM 359 N ALA A 24 0.479 -4.889 -5.693 1.00 50.00 N ATOM 360 CA ALA A 24 1.206 -6.126 -6.100 1.00 50.00 C ATOM 361 C ALA A 24 1.961 -6.717 -4.906 1.00 50.00 C ATOM 362 O ALA A 24 2.405 -6.007 -4.026 1.00 50.00 O ATOM 363 CB ALA A 24 2.186 -5.672 -7.181 1.00 50.00 C ATOM 0 H ALA A 24 1.064 -4.147 -5.309 1.00 50.00 H new ATOM 0 HA ALA A 24 0.529 -6.901 -6.461 1.00 50.00 H new ATOM 0 HB1 ALA A 24 2.761 -6.528 -7.534 1.00 50.00 H new ATOM 0 HB2 ALA A 24 1.633 -5.238 -8.014 1.00 50.00 H new ATOM 0 HB3 ALA A 24 2.864 -4.925 -6.767 1.00 50.00 H new ATOM 369 N ASP A 25 2.110 -8.013 -4.872 1.00 50.00 N ATOM 370 CA ASP A 25 2.836 -8.652 -3.738 1.00 50.00 C ATOM 371 C ASP A 25 4.309 -8.860 -4.103 1.00 50.00 C ATOM 372 O ASP A 25 4.632 -9.513 -5.076 1.00 50.00 O ATOM 373 CB ASP A 25 2.140 -9.998 -3.531 1.00 50.00 C ATOM 374 CG ASP A 25 2.674 -10.662 -2.261 1.00 50.00 C ATOM 375 OD1 ASP A 25 3.843 -11.011 -2.245 1.00 50.00 O ATOM 376 OD2 ASP A 25 1.906 -10.810 -1.325 1.00 50.00 O ATOM 0 H ASP A 25 1.760 -8.657 -5.581 1.00 50.00 H new ATOM 0 HA ASP A 25 2.816 -8.039 -2.837 1.00 50.00 H new ATOM 0 HB2 ASP A 25 1.063 -9.853 -3.452 1.00 50.00 H new ATOM 0 HB3 ASP A 25 2.313 -10.644 -4.392 1.00 50.00 H new ATOM 381 N THR A 26 5.206 -8.306 -3.333 1.00 50.00 N ATOM 382 CA THR A 26 6.657 -8.470 -3.638 1.00 50.00 C ATOM 383 C THR A 26 7.148 -9.841 -3.162 1.00 50.00 C ATOM 384 O THR A 26 7.761 -10.582 -3.904 1.00 50.00 O ATOM 385 CB THR A 26 7.354 -7.351 -2.861 1.00 50.00 C ATOM 386 OG1 THR A 26 6.789 -7.257 -1.561 1.00 50.00 O ATOM 387 CG2 THR A 26 7.171 -6.023 -3.597 1.00 50.00 C ATOM 0 H THR A 26 4.997 -7.747 -2.506 1.00 50.00 H new ATOM 0 HA THR A 26 6.863 -8.414 -4.707 1.00 50.00 H new ATOM 0 HB THR A 26 8.418 -7.573 -2.780 1.00 50.00 H new ATOM 0 HG1 THR A 26 7.235 -6.542 -1.061 1.00 50.00 H new ATOM 0 HG21 THR A 26 7.668 -5.228 -3.042 1.00 50.00 H new ATOM 0 HG22 THR A 26 7.606 -6.096 -4.594 1.00 50.00 H new ATOM 0 HG23 THR A 26 6.108 -5.797 -3.681 1.00 50.00 H new ATOM 395 N GLY A 27 6.887 -10.182 -1.930 1.00 50.00 N ATOM 396 CA GLY A 27 7.343 -11.503 -1.411 1.00 50.00 C ATOM 397 C GLY A 27 6.165 -12.237 -0.767 1.00 50.00 C ATOM 398 O GLY A 27 5.271 -12.709 -1.442 1.00 50.00 O ATOM 0 H GLY A 27 6.378 -9.604 -1.261 1.00 50.00 H new ATOM 0 HA2 GLY A 27 7.757 -12.101 -2.223 1.00 50.00 H new ATOM 0 HA3 GLY A 27 8.140 -11.363 -0.681 1.00 50.00 H new ATOM 402 N HIS A 28 6.158 -12.339 0.534 1.00 50.00 N ATOM 403 CA HIS A 28 5.038 -13.046 1.222 1.00 50.00 C ATOM 404 C HIS A 28 4.433 -12.152 2.308 1.00 50.00 C ATOM 405 O HIS A 28 5.034 -11.919 3.338 1.00 50.00 O ATOM 406 CB HIS A 28 5.679 -14.287 1.846 1.00 50.00 C ATOM 407 CG HIS A 28 4.737 -15.454 1.726 1.00 50.00 C ATOM 408 ND1 HIS A 28 4.557 -16.140 0.535 1.00 50.00 N ATOM 409 CD2 HIS A 28 3.918 -16.068 2.640 1.00 50.00 C ATOM 410 CE1 HIS A 28 3.660 -17.117 0.761 1.00 50.00 C ATOM 411 NE2 HIS A 28 3.239 -17.119 2.029 1.00 50.00 N ATOM 0 H HIS A 28 6.878 -11.964 1.151 1.00 50.00 H new ATOM 0 HA HIS A 28 4.230 -13.303 0.537 1.00 50.00 H new ATOM 0 HB2 HIS A 28 6.621 -14.513 1.346 1.00 50.00 H new ATOM 0 HB3 HIS A 28 5.912 -14.101 2.894 1.00 50.00 H new ATOM 0 HD2 HIS A 28 3.816 -15.780 3.676 1.00 50.00 H new ATOM 0 HE1 HIS A 28 3.322 -17.815 0.009 1.00 50.00 H new ATOM 0 HE2 HIS A 28 2.565 -17.754 2.457 1.00 50.00 H new ATOM 419 N GLY A 29 3.248 -11.652 2.089 1.00 50.00 N ATOM 420 CA GLY A 29 2.608 -10.777 3.112 1.00 50.00 C ATOM 421 C GLY A 29 3.083 -9.336 2.925 1.00 50.00 C ATOM 422 O GLY A 29 3.190 -8.581 3.871 1.00 50.00 O ATOM 0 H GLY A 29 2.695 -11.811 1.247 1.00 50.00 H new ATOM 0 HA2 GLY A 29 1.523 -10.828 3.021 1.00 50.00 H new ATOM 0 HA3 GLY A 29 2.860 -11.127 4.113 1.00 50.00 H new ATOM 426 N THR A 30 3.373 -8.946 1.714 1.00 50.00 N ATOM 427 CA THR A 30 3.843 -7.551 1.475 1.00 50.00 C ATOM 428 C THR A 30 3.327 -7.038 0.125 1.00 50.00 C ATOM 429 O THR A 30 3.780 -7.457 -0.922 1.00 50.00 O ATOM 430 CB THR A 30 5.369 -7.646 1.466 1.00 50.00 C ATOM 431 OG1 THR A 30 5.763 -8.887 0.895 1.00 50.00 O ATOM 432 CG2 THR A 30 5.896 -7.553 2.899 1.00 50.00 C ATOM 0 H THR A 30 3.305 -9.531 0.881 1.00 50.00 H new ATOM 0 HA THR A 30 3.481 -6.858 2.234 1.00 50.00 H new ATOM 0 HB THR A 30 5.780 -6.827 0.875 1.00 50.00 H new ATOM 0 HG1 THR A 30 6.741 -8.948 0.887 1.00 50.00 H new ATOM 0 HG21 THR A 30 6.984 -7.621 2.892 1.00 50.00 H new ATOM 0 HG22 THR A 30 5.595 -6.601 3.336 1.00 50.00 H new ATOM 0 HG23 THR A 30 5.485 -8.371 3.491 1.00 50.00 H new ATOM 440 N VAL A 31 2.383 -6.135 0.144 1.00 50.00 N ATOM 441 CA VAL A 31 1.841 -5.597 -1.130 1.00 50.00 C ATOM 442 C VAL A 31 2.391 -4.191 -1.386 1.00 50.00 C ATOM 443 O VAL A 31 2.662 -3.445 -0.466 1.00 50.00 O ATOM 444 CB VAL A 31 0.326 -5.553 -0.932 1.00 50.00 C ATOM 445 CG1 VAL A 31 -0.351 -5.205 -2.260 1.00 50.00 C ATOM 446 CG2 VAL A 31 -0.166 -6.920 -0.453 1.00 50.00 C ATOM 0 H VAL A 31 1.965 -5.748 0.990 1.00 50.00 H new ATOM 0 HA VAL A 31 2.120 -6.209 -1.988 1.00 50.00 H new ATOM 0 HB VAL A 31 0.079 -4.796 -0.187 1.00 50.00 H new ATOM 0 HG11 VAL A 31 -1.432 -5.173 -2.120 1.00 50.00 H new ATOM 0 HG12 VAL A 31 -0.001 -4.231 -2.603 1.00 50.00 H new ATOM 0 HG13 VAL A 31 -0.103 -5.962 -3.004 1.00 50.00 H new ATOM 0 HG21 VAL A 31 -1.246 -6.889 -0.312 1.00 50.00 H new ATOM 0 HG22 VAL A 31 0.081 -7.677 -1.197 1.00 50.00 H new ATOM 0 HG23 VAL A 31 0.316 -7.170 0.492 1.00 50.00 H new ATOM 456 N VAL A 32 2.561 -3.825 -2.627 1.00 50.00 N ATOM 457 CA VAL A 32 3.096 -2.468 -2.932 1.00 50.00 C ATOM 458 C VAL A 32 2.119 -1.697 -3.824 1.00 50.00 C ATOM 459 O VAL A 32 1.629 -2.206 -4.812 1.00 50.00 O ATOM 460 CB VAL A 32 4.417 -2.707 -3.668 1.00 50.00 C ATOM 461 CG1 VAL A 32 5.582 -2.537 -2.694 1.00 50.00 C ATOM 462 CG2 VAL A 32 4.447 -4.125 -4.250 1.00 50.00 C ATOM 0 H VAL A 32 2.353 -4.405 -3.440 1.00 50.00 H new ATOM 0 HA VAL A 32 3.237 -1.875 -2.028 1.00 50.00 H new ATOM 0 HB VAL A 32 4.506 -1.985 -4.479 1.00 50.00 H new ATOM 0 HG11 VAL A 32 6.522 -2.707 -3.218 1.00 50.00 H new ATOM 0 HG12 VAL A 32 5.571 -1.526 -2.287 1.00 50.00 H new ATOM 0 HG13 VAL A 32 5.484 -3.256 -1.881 1.00 50.00 H new ATOM 0 HG21 VAL A 32 5.391 -4.284 -4.771 1.00 50.00 H new ATOM 0 HG22 VAL A 32 4.351 -4.852 -3.443 1.00 50.00 H new ATOM 0 HG23 VAL A 32 3.621 -4.249 -4.950 1.00 50.00 H new ATOM 472 N ILE A 33 1.838 -0.470 -3.483 1.00 50.00 N ATOM 473 CA ILE A 33 0.900 0.344 -4.307 1.00 50.00 C ATOM 474 C ILE A 33 1.545 1.686 -4.651 1.00 50.00 C ATOM 475 O ILE A 33 2.115 2.346 -3.806 1.00 50.00 O ATOM 476 CB ILE A 33 -0.330 0.548 -3.423 1.00 50.00 C ATOM 477 CG1 ILE A 33 -1.410 1.285 -4.219 1.00 50.00 C ATOM 478 CG2 ILE A 33 0.054 1.377 -2.195 1.00 50.00 C ATOM 479 CD1 ILE A 33 -1.788 0.461 -5.451 1.00 50.00 C ATOM 0 H ILE A 33 2.219 0.006 -2.666 1.00 50.00 H new ATOM 0 HA ILE A 33 0.644 -0.140 -5.249 1.00 50.00 H new ATOM 0 HB ILE A 33 -0.711 -0.421 -3.101 1.00 50.00 H new ATOM 0 HG12 ILE A 33 -2.288 1.449 -3.595 1.00 50.00 H new ATOM 0 HG13 ILE A 33 -1.047 2.267 -4.523 1.00 50.00 H new ATOM 0 HG21 ILE A 33 -0.824 1.522 -1.565 1.00 50.00 H new ATOM 0 HG22 ILE A 33 0.824 0.853 -1.629 1.00 50.00 H new ATOM 0 HG23 ILE A 33 0.435 2.347 -2.515 1.00 50.00 H new ATOM 0 HD11 ILE A 33 -2.557 0.986 -6.018 1.00 50.00 H new ATOM 0 HD12 ILE A 33 -0.908 0.320 -6.078 1.00 50.00 H new ATOM 0 HD13 ILE A 33 -2.169 -0.511 -5.136 1.00 50.00 H new ATOM 491 N GLU A 34 1.468 2.093 -5.887 1.00 50.00 N ATOM 492 CA GLU A 34 2.087 3.389 -6.280 1.00 50.00 C ATOM 493 C GLU A 34 1.008 4.435 -6.567 1.00 50.00 C ATOM 494 O GLU A 34 0.285 4.348 -7.540 1.00 50.00 O ATOM 495 CB GLU A 34 2.881 3.078 -7.549 1.00 50.00 C ATOM 496 CG GLU A 34 4.100 3.999 -7.628 1.00 50.00 C ATOM 497 CD GLU A 34 5.062 3.483 -8.699 1.00 50.00 C ATOM 498 OE1 GLU A 34 4.607 2.786 -9.590 1.00 50.00 O ATOM 499 OE2 GLU A 34 6.238 3.795 -8.609 1.00 50.00 O ATOM 0 H GLU A 34 1.004 1.586 -6.641 1.00 50.00 H new ATOM 0 HA GLU A 34 2.717 3.798 -5.490 1.00 50.00 H new ATOM 0 HB2 GLU A 34 3.199 2.036 -7.545 1.00 50.00 H new ATOM 0 HB3 GLU A 34 2.251 3.215 -8.428 1.00 50.00 H new ATOM 0 HG2 GLU A 34 3.786 5.015 -7.866 1.00 50.00 H new ATOM 0 HG3 GLU A 34 4.602 4.038 -6.661 1.00 50.00 H new ATOM 506 N LEU A 35 0.905 5.432 -5.733 1.00 50.00 N ATOM 507 CA LEU A 35 -0.115 6.496 -5.961 1.00 50.00 C ATOM 508 C LEU A 35 0.577 7.858 -5.985 1.00 50.00 C ATOM 509 O LEU A 35 1.508 8.095 -5.251 1.00 50.00 O ATOM 510 CB LEU A 35 -1.080 6.401 -4.777 1.00 50.00 C ATOM 511 CG LEU A 35 -1.294 4.933 -4.405 1.00 50.00 C ATOM 512 CD1 LEU A 35 -0.162 4.474 -3.486 1.00 50.00 C ATOM 513 CD2 LEU A 35 -2.634 4.779 -3.681 1.00 50.00 C ATOM 0 H LEU A 35 1.483 5.557 -4.902 1.00 50.00 H new ATOM 0 HA LEU A 35 -0.641 6.375 -6.908 1.00 50.00 H new ATOM 0 HB2 LEU A 35 -0.679 6.948 -3.924 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.033 6.864 -5.034 1.00 50.00 H new ATOM 0 HG LEU A 35 -1.300 4.325 -5.309 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -0.312 3.428 -3.219 1.00 50.00 H new ATOM 0 HD12 LEU A 35 0.792 4.584 -4.001 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -0.158 5.082 -2.582 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -2.786 3.733 -3.416 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -2.630 5.386 -2.776 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -3.441 5.109 -4.335 1.00 50.00 H new ATOM 525 N SER A 36 0.136 8.755 -6.819 1.00 50.00 N ATOM 526 CA SER A 36 0.786 10.086 -6.880 1.00 50.00 C ATOM 527 C SER A 36 0.120 11.035 -5.891 1.00 50.00 C ATOM 528 O SER A 36 -1.082 11.218 -5.911 1.00 50.00 O ATOM 529 CB SER A 36 0.576 10.568 -8.315 1.00 50.00 C ATOM 530 OG SER A 36 0.398 9.444 -9.167 1.00 50.00 O ATOM 0 H SER A 36 -0.646 8.622 -7.460 1.00 50.00 H new ATOM 0 HA SER A 36 1.844 10.044 -6.620 1.00 50.00 H new ATOM 0 HB2 SER A 36 -0.296 11.220 -8.368 1.00 50.00 H new ATOM 0 HB3 SER A 36 1.434 11.155 -8.643 1.00 50.00 H new ATOM 0 HG SER A 36 0.261 9.750 -10.088 1.00 50.00 H new ATOM 536 N TYR A 37 0.880 11.644 -5.025 1.00 50.00 N ATOM 537 CA TYR A 37 0.258 12.577 -4.053 1.00 50.00 C ATOM 538 C TYR A 37 0.310 14.001 -4.612 1.00 50.00 C ATOM 539 O TYR A 37 1.334 14.655 -4.582 1.00 50.00 O ATOM 540 CB TYR A 37 1.094 12.450 -2.776 1.00 50.00 C ATOM 541 CG TYR A 37 1.004 13.728 -1.975 1.00 50.00 C ATOM 542 CD1 TYR A 37 -0.246 14.291 -1.693 1.00 50.00 C ATOM 543 CD2 TYR A 37 2.171 14.350 -1.514 1.00 50.00 C ATOM 544 CE1 TYR A 37 -0.330 15.475 -0.952 1.00 50.00 C ATOM 545 CE2 TYR A 37 2.088 15.535 -0.772 1.00 50.00 C ATOM 546 CZ TYR A 37 0.837 16.097 -0.491 1.00 50.00 C ATOM 547 OH TYR A 37 0.753 17.263 0.240 1.00 49.57 O ATOM 0 H TYR A 37 1.892 11.537 -4.950 1.00 50.00 H new ATOM 0 HA TYR A 37 -0.790 12.348 -3.858 1.00 50.00 H new ATOM 0 HB2 TYR A 37 0.738 11.610 -2.179 1.00 50.00 H new ATOM 0 HB3 TYR A 37 2.133 12.242 -3.030 1.00 50.00 H new ATOM 0 HD1 TYR A 37 -1.146 13.811 -2.048 1.00 50.00 H new ATOM 0 HD2 TYR A 37 3.136 13.916 -1.731 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -1.295 15.909 -0.736 1.00 50.00 H new ATOM 0 HE2 TYR A 37 2.988 16.015 -0.417 1.00 50.00 H new ATOM 0 HH TYR A 37 1.614 17.440 0.673 1.00 49.57 H new ATOM 557 N SER A 38 -0.786 14.482 -5.131 1.00 50.00 N ATOM 558 CA SER A 38 -0.801 15.850 -5.703 1.00 50.00 C ATOM 559 C SER A 38 -1.330 16.848 -4.674 1.00 50.00 C ATOM 560 O SER A 38 -2.412 17.381 -4.809 1.00 50.00 O ATOM 561 CB SER A 38 -1.743 15.769 -6.904 1.00 50.00 C ATOM 562 OG SER A 38 -3.032 15.364 -6.463 1.00 50.00 O ATOM 0 H SER A 38 -1.673 13.981 -5.182 1.00 50.00 H new ATOM 0 HA SER A 38 0.195 16.187 -5.989 1.00 50.00 H new ATOM 0 HB2 SER A 38 -1.803 16.738 -7.400 1.00 50.00 H new ATOM 0 HB3 SER A 38 -1.357 15.060 -7.636 1.00 50.00 H new ATOM 0 HG SER A 38 -3.410 16.055 -5.879 1.00 50.00 H new ATOM 568 N GLY A 39 -0.574 17.103 -3.646 1.00 99.99 N ATOM 569 CA GLY A 39 -1.031 18.065 -2.608 1.00 99.99 C ATOM 570 C GLY A 39 -0.069 19.253 -2.560 1.00 99.99 C ATOM 571 O GLY A 39 1.134 19.087 -2.499 1.00 99.99 O ATOM 0 H GLY A 39 0.342 16.686 -3.479 1.00 99.99 H new ATOM 0 HA2 GLY A 39 -2.040 18.409 -2.834 1.00 99.99 H new ATOM 0 HA3 GLY A 39 -1.071 17.576 -1.635 1.00 99.99 H new ATOM 575 N SER A 40 -0.585 20.450 -2.590 1.00 99.99 N ATOM 576 CA SER A 40 0.304 21.647 -2.552 1.00 99.99 C ATOM 577 C SER A 40 0.667 22.001 -1.107 1.00 99.99 C ATOM 578 O SER A 40 0.969 23.136 -0.794 1.00 99.99 O ATOM 579 CB SER A 40 -0.514 22.768 -3.187 1.00 99.99 C ATOM 580 OG SER A 40 -0.609 22.546 -4.588 1.00 99.99 O ATOM 0 H SER A 40 -1.584 20.652 -2.639 1.00 99.99 H new ATOM 0 HA SER A 40 1.243 21.476 -3.079 1.00 99.99 H new ATOM 0 HB2 SER A 40 -1.510 22.803 -2.745 1.00 99.99 H new ATOM 0 HB3 SER A 40 -0.044 23.732 -2.991 1.00 99.99 H new ATOM 0 HG SER A 40 -1.135 23.264 -4.998 1.00 99.99 H new ATOM 586 N ASP A 41 0.640 21.043 -0.222 1.00 99.99 N ATOM 587 CA ASP A 41 0.984 21.333 1.199 1.00 99.99 C ATOM 588 C ASP A 41 2.380 20.795 1.526 1.00 99.99 C ATOM 589 O ASP A 41 2.868 20.937 2.630 1.00 99.99 O ATOM 590 CB ASP A 41 -0.079 20.606 2.021 1.00 99.99 C ATOM 591 CG ASP A 41 -1.324 21.488 2.139 1.00 99.99 C ATOM 592 OD1 ASP A 41 -2.063 21.568 1.172 1.00 99.99 O ATOM 593 OD2 ASP A 41 -1.517 22.068 3.194 1.00 99.99 O ATOM 0 H ASP A 41 0.395 20.073 -0.421 1.00 99.99 H new ATOM 0 HA ASP A 41 1.000 22.402 1.410 1.00 99.99 H new ATOM 0 HB2 ASP A 41 -0.335 19.658 1.547 1.00 99.99 H new ATOM 0 HB3 ASP A 41 0.309 20.372 3.012 1.00 99.99 H new ATOM 598 N GLY A 42 3.027 20.177 0.575 1.00 99.99 N ATOM 599 CA GLY A 42 4.390 19.630 0.831 1.00 99.99 C ATOM 600 C GLY A 42 4.272 18.206 1.376 1.00 99.99 C ATOM 601 O GLY A 42 3.271 17.548 1.177 1.00 99.99 O ATOM 0 H GLY A 42 2.670 20.027 -0.369 1.00 99.99 H new ATOM 0 HA2 GLY A 42 4.973 19.632 -0.090 1.00 99.99 H new ATOM 0 HA3 GLY A 42 4.919 20.262 1.545 1.00 99.99 H new ATOM 605 N PRO A 43 5.305 17.776 2.050 1.00 99.99 N ATOM 606 CA PRO A 43 5.317 16.414 2.633 1.00 99.99 C ATOM 607 C PRO A 43 4.370 16.343 3.835 1.00 99.99 C ATOM 608 O PRO A 43 4.320 17.240 4.653 1.00 99.99 O ATOM 609 CB PRO A 43 6.769 16.218 3.061 1.00 99.99 C ATOM 610 CG PRO A 43 7.302 17.601 3.263 1.00 99.99 C ATOM 611 CD PRO A 43 6.543 18.510 2.331 1.00 99.99 C ATOM 0 HA PRO A 43 4.981 15.644 1.939 1.00 99.99 H new ATOM 0 HB2 PRO A 43 6.835 15.632 3.978 1.00 99.99 H new ATOM 0 HB3 PRO A 43 7.337 15.683 2.299 1.00 99.99 H new ATOM 0 HG2 PRO A 43 7.172 17.916 4.298 1.00 99.99 H new ATOM 0 HG3 PRO A 43 8.370 17.637 3.050 1.00 99.99 H new ATOM 0 HD2 PRO A 43 6.338 19.475 2.794 1.00 99.99 H new ATOM 0 HD3 PRO A 43 7.106 18.707 1.419 1.00 99.99 H new ATOM 619 N CYS A 44 3.612 15.288 3.939 1.00 50.00 N ATOM 620 CA CYS A 44 2.657 15.158 5.077 1.00 50.00 C ATOM 621 C CYS A 44 2.397 13.679 5.380 1.00 50.00 C ATOM 622 O CYS A 44 2.626 12.820 4.551 1.00 50.00 O ATOM 623 CB CYS A 44 1.372 15.818 4.578 1.00 50.00 C ATOM 624 SG CYS A 44 0.828 17.094 5.740 1.00 50.00 S ATOM 0 H CYS A 44 3.612 14.507 3.283 1.00 50.00 H new ATOM 0 HA CYS A 44 3.036 15.615 5.991 1.00 50.00 H new ATOM 0 HB2 CYS A 44 1.540 16.259 3.595 1.00 50.00 H new ATOM 0 HB3 CYS A 44 0.591 15.067 4.461 1.00 50.00 H new ATOM 629 N LYS A 45 1.902 13.375 6.548 1.00 50.00 N ATOM 630 CA LYS A 45 1.611 11.951 6.878 1.00 50.00 C ATOM 631 C LYS A 45 0.334 11.519 6.155 1.00 50.00 C ATOM 632 O LYS A 45 -0.668 12.204 6.196 1.00 50.00 O ATOM 633 CB LYS A 45 1.406 11.918 8.395 1.00 50.00 C ATOM 634 CG LYS A 45 2.472 12.775 9.082 1.00 50.00 C ATOM 635 CD LYS A 45 3.851 12.419 8.529 1.00 50.00 C ATOM 636 CE LYS A 45 4.884 13.419 9.051 1.00 50.00 C ATOM 637 NZ LYS A 45 5.918 13.499 7.982 1.00 50.00 N ATOM 0 H LYS A 45 1.687 14.047 7.285 1.00 50.00 H new ATOM 0 HA LYS A 45 2.411 11.277 6.571 1.00 50.00 H new ATOM 0 HB2 LYS A 45 0.412 12.289 8.645 1.00 50.00 H new ATOM 0 HB3 LYS A 45 1.463 10.891 8.757 1.00 50.00 H new ATOM 0 HG2 LYS A 45 2.265 13.832 8.917 1.00 50.00 H new ATOM 0 HG3 LYS A 45 2.447 12.610 10.159 1.00 50.00 H new ATOM 0 HD2 LYS A 45 4.125 11.407 8.829 1.00 50.00 H new ATOM 0 HD3 LYS A 45 3.833 12.434 7.439 1.00 50.00 H new ATOM 0 HE2 LYS A 45 4.432 14.393 9.236 1.00 50.00 H new ATOM 0 HE3 LYS A 45 5.316 13.084 9.994 1.00 50.00 H new ATOM 0 HZ1 LYS A 45 6.662 14.167 8.268 1.00 50.00 H new ATOM 0 HZ2 LYS A 45 6.336 12.559 7.832 1.00 50.00 H new ATOM 0 HZ3 LYS A 45 5.479 13.827 7.098 1.00 50.00 H new ATOM 651 N ILE A 46 0.359 10.401 5.482 1.00 50.00 N ATOM 652 CA ILE A 46 -0.860 9.952 4.748 1.00 50.00 C ATOM 653 C ILE A 46 -1.745 9.084 5.649 1.00 50.00 C ATOM 654 O ILE A 46 -1.417 7.950 5.934 1.00 50.00 O ATOM 655 CB ILE A 46 -0.334 9.137 3.566 1.00 50.00 C ATOM 656 CG1 ILE A 46 0.797 9.906 2.880 1.00 50.00 C ATOM 657 CG2 ILE A 46 -1.469 8.903 2.565 1.00 50.00 C ATOM 658 CD1 ILE A 46 1.544 8.971 1.927 1.00 50.00 C ATOM 0 H ILE A 46 1.166 9.781 5.408 1.00 50.00 H new ATOM 0 HA ILE A 46 -1.474 10.793 4.425 1.00 50.00 H new ATOM 0 HB ILE A 46 0.042 8.178 3.923 1.00 50.00 H new ATOM 0 HG12 ILE A 46 0.392 10.756 2.330 1.00 50.00 H new ATOM 0 HG13 ILE A 46 1.483 10.307 3.626 1.00 50.00 H new ATOM 0 HG21 ILE A 46 -1.096 8.322 1.721 1.00 50.00 H new ATOM 0 HG22 ILE A 46 -2.277 8.358 3.052 1.00 50.00 H new ATOM 0 HG23 ILE A 46 -1.843 9.863 2.208 1.00 50.00 H new ATOM 0 HD11 ILE A 46 2.350 9.518 1.438 1.00 50.00 H new ATOM 0 HD12 ILE A 46 1.962 8.136 2.490 1.00 50.00 H new ATOM 0 HD13 ILE A 46 0.853 8.592 1.174 1.00 50.00 H new ATOM 670 N PRO A 47 -2.846 9.652 6.062 1.00 50.00 N ATOM 671 CA PRO A 47 -3.799 8.925 6.933 1.00 50.00 C ATOM 672 C PRO A 47 -4.578 7.892 6.113 1.00 50.00 C ATOM 673 O PRO A 47 -5.514 8.222 5.415 1.00 50.00 O ATOM 674 CB PRO A 47 -4.731 10.024 7.438 1.00 50.00 C ATOM 675 CG PRO A 47 -4.661 11.100 6.401 1.00 50.00 C ATOM 676 CD PRO A 47 -3.301 11.014 5.759 1.00 50.00 C ATOM 0 HA PRO A 47 -3.314 8.378 7.741 1.00 50.00 H new ATOM 0 HB2 PRO A 47 -5.750 9.654 7.555 1.00 50.00 H new ATOM 0 HB3 PRO A 47 -4.413 10.394 8.413 1.00 50.00 H new ATOM 0 HG2 PRO A 47 -5.446 10.968 5.657 1.00 50.00 H new ATOM 0 HG3 PRO A 47 -4.811 12.080 6.853 1.00 50.00 H new ATOM 0 HD2 PRO A 47 -3.356 11.186 4.684 1.00 50.00 H new ATOM 0 HD3 PRO A 47 -2.620 11.761 6.166 1.00 50.00 H new ATOM 684 N ILE A 48 -4.197 6.646 6.187 1.00 50.00 N ATOM 685 CA ILE A 48 -4.919 5.604 5.402 1.00 50.00 C ATOM 686 C ILE A 48 -5.172 4.363 6.261 1.00 50.00 C ATOM 687 O ILE A 48 -4.381 4.012 7.114 1.00 50.00 O ATOM 688 CB ILE A 48 -3.988 5.268 4.238 1.00 50.00 C ATOM 689 CG1 ILE A 48 -3.725 6.530 3.414 1.00 50.00 C ATOM 690 CG2 ILE A 48 -4.640 4.208 3.347 1.00 50.00 C ATOM 691 CD1 ILE A 48 -2.508 6.307 2.518 1.00 50.00 C ATOM 0 H ILE A 48 -3.421 6.305 6.754 1.00 50.00 H new ATOM 0 HA ILE A 48 -5.893 5.953 5.060 1.00 50.00 H new ATOM 0 HB ILE A 48 -3.046 4.884 4.630 1.00 50.00 H new ATOM 0 HG12 ILE A 48 -4.598 6.770 2.807 1.00 50.00 H new ATOM 0 HG13 ILE A 48 -3.553 7.380 4.075 1.00 50.00 H new ATOM 0 HG21 ILE A 48 -3.974 3.970 2.518 1.00 50.00 H new ATOM 0 HG22 ILE A 48 -4.828 3.307 3.931 1.00 50.00 H new ATOM 0 HG23 ILE A 48 -5.583 4.591 2.957 1.00 50.00 H new ATOM 0 HD11 ILE A 48 -2.319 7.205 1.930 1.00 50.00 H new ATOM 0 HD12 ILE A 48 -1.637 6.088 3.135 1.00 50.00 H new ATOM 0 HD13 ILE A 48 -2.698 5.468 1.848 1.00 50.00 H new ATOM 703 N VAL A 49 -6.268 3.692 6.034 1.00 50.00 N ATOM 704 CA VAL A 49 -6.576 2.467 6.825 1.00 50.00 C ATOM 705 C VAL A 49 -6.730 1.271 5.883 1.00 50.00 C ATOM 706 O VAL A 49 -6.929 1.431 4.694 1.00 50.00 O ATOM 707 CB VAL A 49 -7.898 2.770 7.531 1.00 50.00 C ATOM 708 CG1 VAL A 49 -7.769 4.074 8.320 1.00 50.00 C ATOM 709 CG2 VAL A 49 -9.011 2.913 6.491 1.00 50.00 C ATOM 0 H VAL A 49 -6.966 3.940 5.332 1.00 50.00 H new ATOM 0 HA VAL A 49 -5.788 2.219 7.536 1.00 50.00 H new ATOM 0 HB VAL A 49 -8.139 1.955 8.213 1.00 50.00 H new ATOM 0 HG11 VAL A 49 -8.712 4.290 8.823 1.00 50.00 H new ATOM 0 HG12 VAL A 49 -6.977 3.974 9.062 1.00 50.00 H new ATOM 0 HG13 VAL A 49 -7.527 4.889 7.638 1.00 50.00 H new ATOM 0 HG21 VAL A 49 -9.954 3.129 6.994 1.00 50.00 H new ATOM 0 HG22 VAL A 49 -8.769 3.728 5.809 1.00 50.00 H new ATOM 0 HG23 VAL A 49 -9.105 1.984 5.928 1.00 50.00 H new ATOM 719 N SER A 50 -6.638 0.074 6.397 1.00 50.00 N ATOM 720 CA SER A 50 -6.778 -1.120 5.517 1.00 50.00 C ATOM 721 C SER A 50 -7.735 -2.128 6.148 1.00 50.00 C ATOM 722 O SER A 50 -7.391 -2.826 7.080 1.00 50.00 O ATOM 723 CB SER A 50 -5.369 -1.706 5.417 1.00 50.00 C ATOM 724 OG SER A 50 -4.415 -0.673 5.625 1.00 50.00 O ATOM 0 H SER A 50 -6.473 -0.127 7.383 1.00 50.00 H new ATOM 0 HA SER A 50 -7.183 -0.867 4.537 1.00 50.00 H new ATOM 0 HB2 SER A 50 -5.237 -2.494 6.159 1.00 50.00 H new ATOM 0 HB3 SER A 50 -5.221 -2.162 4.438 1.00 50.00 H new ATOM 0 HG SER A 50 -3.731 -0.714 4.924 1.00 50.00 H new ATOM 730 N VAL A 51 -8.935 -2.211 5.647 1.00 50.00 N ATOM 731 CA VAL A 51 -9.912 -3.177 6.219 1.00 50.00 C ATOM 732 C VAL A 51 -10.489 -4.056 5.110 1.00 50.00 C ATOM 733 O VAL A 51 -10.454 -3.706 3.948 1.00 50.00 O ATOM 734 CB VAL A 51 -11.009 -2.313 6.843 1.00 50.00 C ATOM 735 CG1 VAL A 51 -10.403 -1.423 7.931 1.00 50.00 C ATOM 736 CG2 VAL A 51 -11.641 -1.433 5.761 1.00 50.00 C ATOM 0 H VAL A 51 -9.281 -1.652 4.867 1.00 50.00 H new ATOM 0 HA VAL A 51 -9.455 -3.843 6.951 1.00 50.00 H new ATOM 0 HB VAL A 51 -11.771 -2.956 7.282 1.00 50.00 H new ATOM 0 HG11 VAL A 51 -11.185 -0.808 8.375 1.00 50.00 H new ATOM 0 HG12 VAL A 51 -9.951 -2.047 8.702 1.00 50.00 H new ATOM 0 HG13 VAL A 51 -9.641 -0.780 7.492 1.00 50.00 H new ATOM 0 HG21 VAL A 51 -12.423 -0.817 6.204 1.00 50.00 H new ATOM 0 HG22 VAL A 51 -10.877 -0.791 5.323 1.00 50.00 H new ATOM 0 HG23 VAL A 51 -12.073 -2.065 4.985 1.00 50.00 H new ATOM 746 N ALA A 52 -11.015 -5.194 5.459 1.00 50.00 N ATOM 747 CA ALA A 52 -11.592 -6.096 4.421 1.00 50.00 C ATOM 748 C ALA A 52 -12.658 -5.350 3.610 1.00 50.00 C ATOM 749 O ALA A 52 -13.142 -4.310 4.010 1.00 50.00 O ATOM 750 CB ALA A 52 -12.223 -7.246 5.205 1.00 50.00 C ATOM 0 H ALA A 52 -11.072 -5.541 6.417 1.00 50.00 H new ATOM 0 HA ALA A 52 -10.842 -6.449 3.713 1.00 50.00 H new ATOM 0 HB1 ALA A 52 -12.671 -7.957 4.511 1.00 50.00 H new ATOM 0 HB2 ALA A 52 -11.456 -7.749 5.794 1.00 50.00 H new ATOM 0 HB3 ALA A 52 -12.992 -6.854 5.870 1.00 50.00 H new ATOM 756 N SER A 53 -13.019 -5.870 2.469 1.00 50.00 N ATOM 757 CA SER A 53 -14.044 -5.188 1.627 1.00 50.00 C ATOM 758 C SER A 53 -15.363 -5.051 2.395 1.00 50.00 C ATOM 759 O SER A 53 -15.975 -6.029 2.773 1.00 50.00 O ATOM 760 CB SER A 53 -14.220 -6.095 0.411 1.00 50.00 C ATOM 761 OG SER A 53 -15.593 -6.440 0.273 1.00 50.00 O ATOM 0 H SER A 53 -12.649 -6.738 2.083 1.00 50.00 H new ATOM 0 HA SER A 53 -13.741 -4.180 1.345 1.00 50.00 H new ATOM 0 HB2 SER A 53 -13.869 -5.588 -0.488 1.00 50.00 H new ATOM 0 HB3 SER A 53 -13.617 -6.996 0.525 1.00 50.00 H new ATOM 0 HG SER A 53 -15.685 -7.161 -0.384 1.00 50.00 H new ATOM 767 N LEU A 54 -15.803 -3.838 2.619 1.00 50.00 N ATOM 768 CA LEU A 54 -17.088 -3.634 3.356 1.00 50.00 C ATOM 769 C LEU A 54 -16.876 -3.788 4.866 1.00 50.00 C ATOM 770 O LEU A 54 -17.765 -4.191 5.589 1.00 50.00 O ATOM 771 CB LEU A 54 -18.044 -4.710 2.834 1.00 50.00 C ATOM 772 CG LEU A 54 -19.481 -4.193 2.903 1.00 50.00 C ATOM 773 CD1 LEU A 54 -19.590 -2.878 2.130 1.00 50.00 C ATOM 774 CD2 LEU A 54 -20.425 -5.227 2.285 1.00 50.00 C ATOM 0 H LEU A 54 -15.330 -2.983 2.325 1.00 50.00 H new ATOM 0 HA LEU A 54 -17.486 -2.632 3.195 1.00 50.00 H new ATOM 0 HB2 LEU A 54 -17.789 -4.971 1.807 1.00 50.00 H new ATOM 0 HB3 LEU A 54 -17.944 -5.619 3.427 1.00 50.00 H new ATOM 0 HG LEU A 54 -19.756 -4.025 3.944 1.00 50.00 H new ATOM 0 HD11 LEU A 54 -20.615 -2.510 2.180 1.00 50.00 H new ATOM 0 HD12 LEU A 54 -18.918 -2.141 2.570 1.00 50.00 H new ATOM 0 HD13 LEU A 54 -19.315 -3.044 1.089 1.00 50.00 H new ATOM 0 HD21 LEU A 54 -21.450 -4.859 2.334 1.00 50.00 H new ATOM 0 HD22 LEU A 54 -20.149 -5.395 1.244 1.00 50.00 H new ATOM 0 HD23 LEU A 54 -20.349 -6.164 2.836 1.00 50.00 H new ATOM 786 N ASN A 55 -15.709 -3.457 5.347 1.00 50.00 N ATOM 787 CA ASN A 55 -15.450 -3.570 6.810 1.00 50.00 C ATOM 788 C ASN A 55 -14.978 -2.227 7.372 1.00 50.00 C ATOM 789 O ASN A 55 -13.795 -1.978 7.499 1.00 50.00 O ATOM 790 CB ASN A 55 -14.347 -4.620 6.941 1.00 50.00 C ATOM 791 CG ASN A 55 -14.963 -6.018 6.883 1.00 50.00 C ATOM 792 OD1 ASN A 55 -15.255 -6.524 5.817 1.00 50.00 O ATOM 793 ND2 ASN A 55 -15.175 -6.671 7.994 1.00 50.00 N ATOM 0 H ASN A 55 -14.925 -3.114 4.791 1.00 50.00 H new ATOM 0 HA ASN A 55 -16.346 -3.849 7.364 1.00 50.00 H new ATOM 0 HB2 ASN A 55 -13.618 -4.499 6.140 1.00 50.00 H new ATOM 0 HB3 ASN A 55 -13.812 -4.486 7.881 1.00 50.00 H new ATOM 0 HD21 ASN A 55 -15.585 -7.605 7.967 1.00 50.00 H new ATOM 0 HD22 ASN A 55 -14.930 -6.247 8.889 1.00 50.00 H new ATOM 800 N ASP A 56 -15.892 -1.363 7.715 1.00 50.00 N ATOM 801 CA ASP A 56 -15.493 -0.040 8.273 1.00 50.00 C ATOM 802 C ASP A 56 -15.660 -0.045 9.793 1.00 50.00 C ATOM 803 O ASP A 56 -15.563 0.976 10.444 1.00 50.00 O ATOM 804 CB ASP A 56 -16.448 0.968 7.632 1.00 50.00 C ATOM 805 CG ASP A 56 -17.842 0.809 8.238 1.00 50.00 C ATOM 806 OD1 ASP A 56 -18.089 1.408 9.272 1.00 50.00 O ATOM 807 OD2 ASP A 56 -18.640 0.090 7.660 1.00 50.00 O ATOM 0 H ASP A 56 -16.897 -1.515 7.633 1.00 50.00 H new ATOM 0 HA ASP A 56 -14.451 0.201 8.064 1.00 50.00 H new ATOM 0 HB2 ASP A 56 -16.084 1.983 7.793 1.00 50.00 H new ATOM 0 HB3 ASP A 56 -16.489 0.811 6.554 1.00 50.00 H new ATOM 812 N MET A 57 -15.910 -1.192 10.364 1.00 50.00 N ATOM 813 CA MET A 57 -16.082 -1.268 11.844 1.00 50.00 C ATOM 814 C MET A 57 -15.089 -2.268 12.438 1.00 50.00 C ATOM 815 O MET A 57 -14.886 -2.322 13.635 1.00 50.00 O ATOM 816 CB MET A 57 -17.519 -1.748 12.053 1.00 50.00 C ATOM 817 CG MET A 57 -18.390 -0.573 12.500 1.00 50.00 C ATOM 818 SD MET A 57 -20.132 -0.962 12.196 1.00 50.00 S ATOM 819 CE MET A 57 -20.503 0.464 11.146 1.00 50.00 C ATOM 0 H MET A 57 -16.003 -2.080 9.870 1.00 50.00 H new ATOM 0 HA MET A 57 -15.899 -0.310 12.332 1.00 50.00 H new ATOM 0 HB2 MET A 57 -17.910 -2.173 11.128 1.00 50.00 H new ATOM 0 HB3 MET A 57 -17.544 -2.539 12.803 1.00 50.00 H new ATOM 0 HG2 MET A 57 -18.231 -0.371 13.559 1.00 50.00 H new ATOM 0 HG3 MET A 57 -18.108 0.329 11.958 1.00 50.00 H new ATOM 0 HE1 MET A 57 -21.578 0.642 11.141 1.00 50.00 H new ATOM 0 HE2 MET A 57 -19.991 1.345 11.534 1.00 50.00 H new ATOM 0 HE3 MET A 57 -20.163 0.266 10.130 1.00 50.00 H new ATOM 829 N THR A 58 -14.467 -3.057 11.608 1.00 50.00 N ATOM 830 CA THR A 58 -13.484 -4.053 12.121 1.00 50.00 C ATOM 831 C THR A 58 -12.176 -3.954 11.331 1.00 50.00 C ATOM 832 O THR A 58 -12.157 -4.161 10.133 1.00 50.00 O ATOM 833 CB THR A 58 -14.144 -5.415 11.895 1.00 50.00 C ATOM 834 OG1 THR A 58 -15.476 -5.381 12.390 1.00 50.00 O ATOM 835 CG2 THR A 58 -13.350 -6.495 12.630 1.00 50.00 C ATOM 0 H THR A 58 -14.596 -3.056 10.596 1.00 50.00 H new ATOM 0 HA THR A 58 -13.238 -3.889 13.170 1.00 50.00 H new ATOM 0 HB THR A 58 -14.159 -5.641 10.829 1.00 50.00 H new ATOM 0 HG1 THR A 58 -15.901 -6.252 12.245 1.00 50.00 H new ATOM 0 HG21 THR A 58 -13.820 -7.465 12.469 1.00 50.00 H new ATOM 0 HG22 THR A 58 -12.329 -6.519 12.249 1.00 50.00 H new ATOM 0 HG23 THR A 58 -13.334 -6.272 13.697 1.00 50.00 H new ATOM 843 N PRO A 59 -11.121 -3.642 12.033 1.00 50.00 N ATOM 844 CA PRO A 59 -9.791 -3.516 11.389 1.00 50.00 C ATOM 845 C PRO A 59 -9.266 -4.896 10.989 1.00 50.00 C ATOM 846 O PRO A 59 -9.369 -5.850 11.735 1.00 50.00 O ATOM 847 CB PRO A 59 -8.923 -2.894 12.479 1.00 50.00 C ATOM 848 CG PRO A 59 -9.590 -3.269 13.764 1.00 50.00 C ATOM 849 CD PRO A 59 -11.064 -3.382 13.475 1.00 50.00 C ATOM 0 HA PRO A 59 -9.807 -2.920 10.477 1.00 50.00 H new ATOM 0 HB2 PRO A 59 -7.903 -3.276 12.437 1.00 50.00 H new ATOM 0 HB3 PRO A 59 -8.863 -1.811 12.366 1.00 50.00 H new ATOM 0 HG2 PRO A 59 -9.197 -4.213 14.142 1.00 50.00 H new ATOM 0 HG3 PRO A 59 -9.403 -2.516 14.530 1.00 50.00 H new ATOM 0 HD2 PRO A 59 -11.522 -4.190 14.045 1.00 50.00 H new ATOM 0 HD3 PRO A 59 -11.594 -2.466 13.737 1.00 50.00 H new ATOM 857 N VAL A 60 -8.706 -5.013 9.816 1.00 50.00 N ATOM 858 CA VAL A 60 -8.179 -6.336 9.373 1.00 50.00 C ATOM 859 C VAL A 60 -6.968 -6.139 8.466 1.00 50.00 C ATOM 860 O VAL A 60 -6.010 -6.886 8.515 1.00 50.00 O ATOM 861 CB VAL A 60 -9.328 -6.990 8.606 1.00 50.00 C ATOM 862 CG1 VAL A 60 -8.923 -8.404 8.184 1.00 50.00 C ATOM 863 CG2 VAL A 60 -10.564 -7.063 9.507 1.00 50.00 C ATOM 0 H VAL A 60 -8.591 -4.252 9.146 1.00 50.00 H new ATOM 0 HA VAL A 60 -7.853 -6.953 10.211 1.00 50.00 H new ATOM 0 HB VAL A 60 -9.556 -6.398 7.720 1.00 50.00 H new ATOM 0 HG11 VAL A 60 -9.743 -8.869 7.637 1.00 50.00 H new ATOM 0 HG12 VAL A 60 -8.042 -8.354 7.544 1.00 50.00 H new ATOM 0 HG13 VAL A 60 -8.695 -8.997 9.070 1.00 50.00 H new ATOM 0 HG21 VAL A 60 -11.385 -7.529 8.962 1.00 50.00 H new ATOM 0 HG22 VAL A 60 -10.334 -7.655 10.393 1.00 50.00 H new ATOM 0 HG23 VAL A 60 -10.854 -6.057 9.809 1.00 50.00 H new ATOM 873 N GLY A 61 -7.004 -5.134 7.649 1.00 50.00 N ATOM 874 CA GLY A 61 -5.858 -4.867 6.739 1.00 50.00 C ATOM 875 C GLY A 61 -4.684 -4.336 7.566 1.00 50.00 C ATOM 876 O GLY A 61 -4.872 -3.634 8.540 1.00 50.00 O ATOM 0 H GLY A 61 -7.782 -4.479 7.569 1.00 50.00 H new ATOM 0 HA2 GLY A 61 -5.570 -5.780 6.217 1.00 50.00 H new ATOM 0 HA3 GLY A 61 -6.142 -4.141 5.977 1.00 50.00 H new ATOM 880 N ARG A 62 -3.476 -4.671 7.202 1.00 50.00 N ATOM 881 CA ARG A 62 -2.307 -4.184 7.993 1.00 50.00 C ATOM 882 C ARG A 62 -1.329 -3.428 7.094 1.00 50.00 C ATOM 883 O ARG A 62 -1.303 -3.614 5.898 1.00 50.00 O ATOM 884 CB ARG A 62 -1.654 -5.448 8.553 1.00 50.00 C ATOM 885 CG ARG A 62 -2.667 -6.206 9.415 1.00 50.00 C ATOM 886 CD ARG A 62 -2.234 -6.152 10.882 1.00 50.00 C ATOM 887 NE ARG A 62 -2.591 -4.779 11.339 1.00 50.00 N ATOM 888 CZ ARG A 62 -3.105 -4.598 12.525 1.00 50.00 C ATOM 889 NH1 ARG A 62 -2.625 -5.247 13.550 1.00 50.00 N ATOM 890 NH2 ARG A 62 -4.097 -3.767 12.686 1.00 50.00 N ATOM 0 H ARG A 62 -3.248 -5.256 6.398 1.00 50.00 H new ATOM 0 HA ARG A 62 -2.605 -3.493 8.782 1.00 50.00 H new ATOM 0 HB2 ARG A 62 -1.307 -6.083 7.738 1.00 50.00 H new ATOM 0 HB3 ARG A 62 -0.779 -5.185 9.147 1.00 50.00 H new ATOM 0 HG2 ARG A 62 -3.658 -5.766 9.301 1.00 50.00 H new ATOM 0 HG3 ARG A 62 -2.738 -7.242 9.084 1.00 50.00 H new ATOM 0 HD2 ARG A 62 -2.747 -6.911 11.473 1.00 50.00 H new ATOM 0 HD3 ARG A 62 -1.165 -6.337 10.985 1.00 50.00 H new ATOM 0 HE ARG A 62 -2.434 -3.980 10.724 1.00 50.00 H new ATOM 0 HH11 ARG A 62 -1.848 -5.896 13.424 1.00 50.00 H new ATOM 0 HH12 ARG A 62 -3.027 -5.106 14.477 1.00 50.00 H new ATOM 0 HH21 ARG A 62 -4.471 -3.258 11.885 1.00 50.00 H new ATOM 0 HH22 ARG A 62 -4.499 -3.626 13.613 1.00 50.00 H new ATOM 904 N LEU A 63 -0.524 -2.574 7.665 1.00 50.00 N ATOM 905 CA LEU A 63 0.456 -1.810 6.841 1.00 50.00 C ATOM 906 C LEU A 63 1.848 -2.435 6.981 1.00 50.00 C ATOM 907 O LEU A 63 2.338 -2.639 8.074 1.00 50.00 O ATOM 908 CB LEU A 63 0.441 -0.394 7.416 1.00 50.00 C ATOM 909 CG LEU A 63 -0.889 0.280 7.074 1.00 50.00 C ATOM 910 CD1 LEU A 63 -1.484 0.907 8.337 1.00 50.00 C ATOM 911 CD2 LEU A 63 -0.650 1.373 6.028 1.00 50.00 C ATOM 0 H LEU A 63 -0.502 -2.372 8.665 1.00 50.00 H new ATOM 0 HA LEU A 63 0.205 -1.816 5.780 1.00 50.00 H new ATOM 0 HB2 LEU A 63 0.577 -0.427 8.497 1.00 50.00 H new ATOM 0 HB3 LEU A 63 1.270 0.185 7.008 1.00 50.00 H new ATOM 0 HG LEU A 63 -1.581 -0.462 6.676 1.00 50.00 H new ATOM 0 HD11 LEU A 63 -2.432 1.387 8.093 1.00 50.00 H new ATOM 0 HD12 LEU A 63 -1.652 0.131 9.084 1.00 50.00 H new ATOM 0 HD13 LEU A 63 -0.793 1.650 8.735 1.00 50.00 H new ATOM 0 HD21 LEU A 63 -1.596 1.855 5.783 1.00 50.00 H new ATOM 0 HD22 LEU A 63 0.042 2.114 6.428 1.00 50.00 H new ATOM 0 HD23 LEU A 63 -0.225 0.929 5.128 1.00 50.00 H new ATOM 923 N VAL A 64 2.486 -2.745 5.885 1.00 50.00 N ATOM 924 CA VAL A 64 3.841 -3.362 5.964 1.00 50.00 C ATOM 925 C VAL A 64 4.835 -2.380 6.589 1.00 50.00 C ATOM 926 O VAL A 64 5.931 -2.747 6.966 1.00 50.00 O ATOM 927 CB VAL A 64 4.223 -3.669 4.516 1.00 50.00 C ATOM 928 CG1 VAL A 64 5.731 -3.913 4.425 1.00 50.00 C ATOM 929 CG2 VAL A 64 3.476 -4.919 4.049 1.00 50.00 C ATOM 0 H VAL A 64 2.129 -2.598 4.941 1.00 50.00 H new ATOM 0 HA VAL A 64 3.851 -4.258 6.585 1.00 50.00 H new ATOM 0 HB VAL A 64 3.954 -2.824 3.882 1.00 50.00 H new ATOM 0 HG11 VAL A 64 6.003 -4.132 3.392 1.00 50.00 H new ATOM 0 HG12 VAL A 64 6.264 -3.023 4.760 1.00 50.00 H new ATOM 0 HG13 VAL A 64 6.002 -4.758 5.058 1.00 50.00 H new ATOM 0 HG21 VAL A 64 3.747 -5.140 3.017 1.00 50.00 H new ATOM 0 HG22 VAL A 64 3.746 -5.763 4.684 1.00 50.00 H new ATOM 0 HG23 VAL A 64 2.402 -4.746 4.113 1.00 50.00 H new ATOM 939 N THR A 65 4.463 -1.134 6.702 1.00 50.00 N ATOM 940 CA THR A 65 5.390 -0.133 7.303 1.00 50.00 C ATOM 941 C THR A 65 4.612 0.842 8.192 1.00 50.00 C ATOM 942 O THR A 65 3.400 0.912 8.142 1.00 50.00 O ATOM 943 CB THR A 65 6.004 0.602 6.111 1.00 50.00 C ATOM 944 OG1 THR A 65 7.024 1.477 6.572 1.00 50.00 O ATOM 945 CG2 THR A 65 4.921 1.410 5.394 1.00 50.00 C ATOM 0 H THR A 65 3.559 -0.766 6.405 1.00 50.00 H new ATOM 0 HA THR A 65 6.150 -0.598 7.931 1.00 50.00 H new ATOM 0 HB THR A 65 6.431 -0.122 5.418 1.00 50.00 H new ATOM 0 HG1 THR A 65 7.420 1.948 5.809 1.00 50.00 H new ATOM 0 HG21 THR A 65 5.360 1.933 4.545 1.00 50.00 H new ATOM 0 HG22 THR A 65 4.139 0.738 5.041 1.00 50.00 H new ATOM 0 HG23 THR A 65 4.491 2.136 6.085 1.00 50.00 H new ATOM 953 N VAL A 66 5.302 1.595 9.003 1.00 50.00 N ATOM 954 CA VAL A 66 4.604 2.568 9.894 1.00 50.00 C ATOM 955 C VAL A 66 3.716 3.496 9.058 1.00 50.00 C ATOM 956 O VAL A 66 3.518 3.280 7.878 1.00 50.00 O ATOM 957 CB VAL A 66 5.726 3.356 10.578 1.00 50.00 C ATOM 958 CG1 VAL A 66 5.167 4.095 11.795 1.00 50.00 C ATOM 959 CG2 VAL A 66 6.822 2.389 11.036 1.00 50.00 C ATOM 0 H VAL A 66 6.318 1.580 9.088 1.00 50.00 H new ATOM 0 HA VAL A 66 3.956 2.079 10.621 1.00 50.00 H new ATOM 0 HB VAL A 66 6.142 4.076 9.873 1.00 50.00 H new ATOM 0 HG11 VAL A 66 5.967 4.655 12.280 1.00 50.00 H new ATOM 0 HG12 VAL A 66 4.385 4.783 11.475 1.00 50.00 H new ATOM 0 HG13 VAL A 66 4.750 3.374 12.499 1.00 50.00 H new ATOM 0 HG21 VAL A 66 7.621 2.949 11.523 1.00 50.00 H new ATOM 0 HG22 VAL A 66 6.402 1.670 11.739 1.00 50.00 H new ATOM 0 HG23 VAL A 66 7.224 1.859 10.172 1.00 50.00 H new ATOM 969 N ASN A 67 3.178 4.526 9.653 1.00 50.00 N ATOM 970 CA ASN A 67 2.304 5.456 8.882 1.00 50.00 C ATOM 971 C ASN A 67 2.964 5.812 7.546 1.00 50.00 C ATOM 972 O ASN A 67 4.131 6.143 7.499 1.00 50.00 O ATOM 973 CB ASN A 67 2.174 6.698 9.764 1.00 50.00 C ATOM 974 CG ASN A 67 0.764 7.276 9.632 1.00 50.00 C ATOM 975 OD1 ASN A 67 -0.202 6.648 10.018 1.00 50.00 O ATOM 976 ND2 ASN A 67 0.605 8.456 9.098 1.00 50.00 N ATOM 0 H ASN A 67 3.305 4.763 10.637 1.00 50.00 H new ATOM 0 HA ASN A 67 1.333 5.017 8.651 1.00 50.00 H new ATOM 0 HB2 ASN A 67 2.377 6.441 10.804 1.00 50.00 H new ATOM 0 HB3 ASN A 67 2.913 7.444 9.470 1.00 50.00 H new ATOM 0 HD21 ASN A 67 -0.330 8.852 9.004 1.00 50.00 H new ATOM 0 HD22 ASN A 67 1.416 8.983 8.774 1.00 50.00 H new ATOM 983 N PRO A 68 2.186 5.726 6.501 1.00 50.00 N ATOM 984 CA PRO A 68 2.696 6.038 5.143 1.00 50.00 C ATOM 985 C PRO A 68 2.881 7.549 4.972 1.00 50.00 C ATOM 986 O PRO A 68 2.101 8.209 4.316 1.00 50.00 O ATOM 987 CB PRO A 68 1.598 5.517 4.222 1.00 50.00 C ATOM 988 CG PRO A 68 0.353 5.531 5.052 1.00 50.00 C ATOM 989 CD PRO A 68 0.774 5.331 6.486 1.00 50.00 C ATOM 0 HA PRO A 68 3.668 5.590 4.937 1.00 50.00 H new ATOM 0 HB2 PRO A 68 1.491 6.148 3.340 1.00 50.00 H new ATOM 0 HB3 PRO A 68 1.825 4.511 3.868 1.00 50.00 H new ATOM 0 HG2 PRO A 68 -0.178 6.476 4.935 1.00 50.00 H new ATOM 0 HG3 PRO A 68 -0.329 4.741 4.737 1.00 50.00 H new ATOM 0 HD2 PRO A 68 0.181 5.944 7.165 1.00 50.00 H new ATOM 0 HD3 PRO A 68 0.646 4.295 6.798 1.00 50.00 H new ATOM 997 N PHE A 69 3.912 8.100 5.554 1.00 50.00 N ATOM 998 CA PHE A 69 4.150 9.560 5.423 1.00 50.00 C ATOM 999 C PHE A 69 5.127 9.834 4.277 1.00 50.00 C ATOM 1000 O PHE A 69 6.122 9.154 4.122 1.00 50.00 O ATOM 1001 CB PHE A 69 4.763 9.977 6.760 1.00 50.00 C ATOM 1002 CG PHE A 69 5.864 9.015 7.141 1.00 50.00 C ATOM 1003 CD1 PHE A 69 7.103 9.075 6.492 1.00 50.00 C ATOM 1004 CD2 PHE A 69 5.646 8.065 8.146 1.00 50.00 C ATOM 1005 CE1 PHE A 69 8.123 8.183 6.845 1.00 50.00 C ATOM 1006 CE2 PHE A 69 6.665 7.173 8.499 1.00 50.00 C ATOM 1007 CZ PHE A 69 7.904 7.232 7.848 1.00 50.00 C ATOM 0 H PHE A 69 4.600 7.598 6.115 1.00 50.00 H new ATOM 0 HA PHE A 69 3.237 10.112 5.201 1.00 50.00 H new ATOM 0 HB2 PHE A 69 5.161 10.989 6.688 1.00 50.00 H new ATOM 0 HB3 PHE A 69 3.996 9.990 7.534 1.00 50.00 H new ATOM 0 HD1 PHE A 69 7.272 9.810 5.719 1.00 50.00 H new ATOM 0 HD2 PHE A 69 4.691 8.020 8.649 1.00 50.00 H new ATOM 0 HE1 PHE A 69 9.078 8.229 6.343 1.00 50.00 H new ATOM 0 HE2 PHE A 69 6.496 6.439 9.273 1.00 50.00 H new ATOM 0 HZ PHE A 69 8.690 6.543 8.120 1.00 50.00 H new ATOM 1017 N VAL A 70 4.853 10.824 3.475 1.00 50.00 N ATOM 1018 CA VAL A 70 5.773 11.137 2.343 1.00 50.00 C ATOM 1019 C VAL A 70 6.721 12.268 2.748 1.00 50.00 C ATOM 1020 O VAL A 70 6.740 13.322 2.144 1.00 50.00 O ATOM 1021 CB VAL A 70 4.862 11.580 1.194 1.00 50.00 C ATOM 1022 CG1 VAL A 70 5.594 11.399 -0.138 1.00 50.00 C ATOM 1023 CG2 VAL A 70 3.590 10.729 1.189 1.00 50.00 C ATOM 0 H VAL A 70 4.035 11.429 3.552 1.00 50.00 H new ATOM 0 HA VAL A 70 6.390 10.284 2.058 1.00 50.00 H new ATOM 0 HB VAL A 70 4.599 12.629 1.328 1.00 50.00 H new ATOM 0 HG11 VAL A 70 4.945 11.714 -0.955 1.00 50.00 H new ATOM 0 HG12 VAL A 70 6.501 12.004 -0.140 1.00 50.00 H new ATOM 0 HG13 VAL A 70 5.858 10.350 -0.268 1.00 50.00 H new ATOM 0 HG21 VAL A 70 2.943 11.046 0.371 1.00 50.00 H new ATOM 0 HG22 VAL A 70 3.855 9.680 1.057 1.00 50.00 H new ATOM 0 HG23 VAL A 70 3.065 10.854 2.136 1.00 50.00 H new ATOM 1033 N ALA A 71 7.507 12.056 3.769 1.00 50.00 N ATOM 1034 CA ALA A 71 8.454 13.120 4.215 1.00 50.00 C ATOM 1035 C ALA A 71 9.590 13.276 3.202 1.00 50.00 C ATOM 1036 O ALA A 71 10.750 13.108 3.524 1.00 50.00 O ATOM 1037 CB ALA A 71 8.996 12.632 5.559 1.00 50.00 C ATOM 0 H ALA A 71 7.535 11.194 4.313 1.00 50.00 H new ATOM 0 HA ALA A 71 7.970 14.093 4.301 1.00 50.00 H new ATOM 0 HB1 ALA A 71 9.702 13.363 5.954 1.00 50.00 H new ATOM 0 HB2 ALA A 71 8.171 12.509 6.261 1.00 50.00 H new ATOM 0 HB3 ALA A 71 9.502 11.676 5.422 1.00 50.00 H new ATOM 1043 N THR A 72 9.267 13.595 1.979 1.00 50.00 N ATOM 1044 CA THR A 72 10.329 13.760 0.947 1.00 50.00 C ATOM 1045 C THR A 72 9.977 14.913 0.004 1.00 50.00 C ATOM 1046 O THR A 72 8.852 15.372 -0.040 1.00 50.00 O ATOM 1047 CB THR A 72 10.355 12.432 0.187 1.00 50.00 C ATOM 1048 OG1 THR A 72 11.191 12.559 -0.954 1.00 50.00 O ATOM 1049 CG2 THR A 72 8.936 12.066 -0.254 1.00 50.00 C ATOM 0 H THR A 72 8.314 13.748 1.650 1.00 50.00 H new ATOM 0 HA THR A 72 11.298 13.996 1.387 1.00 50.00 H new ATOM 0 HB THR A 72 10.743 11.648 0.837 1.00 50.00 H new ATOM 0 HG1 THR A 72 11.211 11.709 -1.441 1.00 50.00 H new ATOM 0 HG21 THR A 72 8.956 11.120 -0.795 1.00 50.00 H new ATOM 0 HG22 THR A 72 8.296 11.969 0.623 1.00 50.00 H new ATOM 0 HG23 THR A 72 8.544 12.848 -0.904 1.00 50.00 H new ATOM 1057 N SER A 73 10.929 15.385 -0.755 1.00 50.00 N ATOM 1058 CA SER A 73 10.646 16.505 -1.695 1.00 50.00 C ATOM 1059 C SER A 73 10.064 15.960 -3.002 1.00 50.00 C ATOM 1060 O SER A 73 9.945 16.666 -3.984 1.00 50.00 O ATOM 1061 CB SER A 73 12.001 17.164 -1.945 1.00 50.00 C ATOM 1062 OG SER A 73 11.992 17.788 -3.223 1.00 50.00 O ATOM 0 H SER A 73 11.890 15.043 -0.764 1.00 50.00 H new ATOM 0 HA SER A 73 9.919 17.210 -1.292 1.00 50.00 H new ATOM 0 HB2 SER A 73 12.208 17.901 -1.169 1.00 50.00 H new ATOM 0 HB3 SER A 73 12.795 16.419 -1.897 1.00 50.00 H new ATOM 0 HG SER A 73 11.066 17.939 -3.507 1.00 50.00 H new ATOM 1068 N SER A 74 9.699 14.707 -3.021 1.00 99.99 N ATOM 1069 CA SER A 74 9.124 14.115 -4.261 1.00 99.99 C ATOM 1070 C SER A 74 7.722 13.562 -3.987 1.00 99.99 C ATOM 1071 O SER A 74 7.170 12.824 -4.778 1.00 99.99 O ATOM 1072 CB SER A 74 10.080 12.987 -4.641 1.00 99.99 C ATOM 1073 OG SER A 74 11.250 13.542 -5.227 1.00 99.99 O ATOM 0 H SER A 74 9.775 14.067 -2.230 1.00 99.99 H new ATOM 0 HA SER A 74 9.022 14.850 -5.059 1.00 99.99 H new ATOM 0 HB2 SER A 74 10.343 12.404 -3.758 1.00 99.99 H new ATOM 0 HB3 SER A 74 9.597 12.305 -5.341 1.00 99.99 H new ATOM 0 HG SER A 74 11.867 12.821 -5.471 1.00 99.99 H new ATOM 1079 N ALA A 75 7.142 13.912 -2.871 1.00 99.99 N ATOM 1080 CA ALA A 75 5.777 13.402 -2.550 1.00 99.99 C ATOM 1081 C ALA A 75 4.775 13.882 -3.599 1.00 99.99 C ATOM 1082 O ALA A 75 3.653 13.425 -3.655 1.00 99.99 O ATOM 1083 CB ALA A 75 5.439 13.994 -1.184 1.00 99.99 C ATOM 0 H ALA A 75 7.553 14.527 -2.169 1.00 99.99 H new ATOM 0 HA ALA A 75 5.738 12.313 -2.543 1.00 99.99 H new ATOM 0 HB1 ALA A 75 4.446 13.663 -0.879 1.00 99.99 H new ATOM 0 HB2 ALA A 75 6.174 13.660 -0.451 1.00 99.99 H new ATOM 0 HB3 ALA A 75 5.456 15.082 -1.245 1.00 99.99 H new ATOM 1089 N ASN A 76 5.173 14.795 -4.438 1.00 99.99 N ATOM 1090 CA ASN A 76 4.248 15.295 -5.479 1.00 99.99 C ATOM 1091 C ASN A 76 4.326 14.388 -6.702 1.00 99.99 C ATOM 1092 O ASN A 76 3.972 14.776 -7.798 1.00 99.99 O ATOM 1093 CB ASN A 76 4.742 16.702 -5.815 1.00 99.99 C ATOM 1094 CG ASN A 76 4.846 17.529 -4.532 1.00 99.99 C ATOM 1095 OD1 ASN A 76 3.866 17.726 -3.841 1.00 99.99 O ATOM 1096 ND2 ASN A 76 6.002 18.024 -4.182 1.00 99.99 N ATOM 0 H ASN A 76 6.102 15.215 -4.444 1.00 99.99 H new ATOM 0 HA ASN A 76 3.210 15.308 -5.148 1.00 99.99 H new ATOM 0 HB2 ASN A 76 5.714 16.650 -6.306 1.00 99.99 H new ATOM 0 HB3 ASN A 76 4.057 17.182 -6.514 1.00 99.99 H new ATOM 0 HD21 ASN A 76 6.083 18.576 -3.328 1.00 99.99 H new ATOM 0 HD22 ASN A 76 6.824 17.858 -4.762 1.00 99.99 H new ATOM 1103 N SER A 77 4.791 13.181 -6.527 1.00 99.99 N ATOM 1104 CA SER A 77 4.890 12.262 -7.682 1.00 99.99 C ATOM 1105 C SER A 77 4.309 10.902 -7.309 1.00 99.99 C ATOM 1106 O SER A 77 3.751 10.726 -6.241 1.00 99.99 O ATOM 1107 CB SER A 77 6.385 12.149 -7.973 1.00 99.99 C ATOM 1108 OG SER A 77 6.704 12.940 -9.110 1.00 99.99 O ATOM 0 H SER A 77 5.104 12.798 -5.635 1.00 99.99 H new ATOM 0 HA SER A 77 4.337 12.620 -8.551 1.00 99.99 H new ATOM 0 HB2 SER A 77 6.961 12.483 -7.110 1.00 99.99 H new ATOM 0 HB3 SER A 77 6.654 11.108 -8.153 1.00 99.99 H new ATOM 0 HG SER A 77 7.663 12.871 -9.298 1.00 99.99 H new ATOM 1114 N LYS A 78 4.442 9.938 -8.172 1.00 99.99 N ATOM 1115 CA LYS A 78 3.911 8.589 -7.856 1.00 99.99 C ATOM 1116 C LYS A 78 4.670 8.018 -6.659 1.00 99.99 C ATOM 1117 O LYS A 78 5.676 7.353 -6.811 1.00 99.99 O ATOM 1118 CB LYS A 78 4.170 7.754 -9.111 1.00 99.99 C ATOM 1119 CG LYS A 78 3.007 7.928 -10.088 1.00 99.99 C ATOM 1120 CD LYS A 78 3.496 8.658 -11.341 1.00 99.99 C ATOM 1121 CE LYS A 78 2.505 8.434 -12.484 1.00 99.99 C ATOM 1122 NZ LYS A 78 3.316 8.563 -13.727 1.00 99.99 N ATOM 0 H LYS A 78 4.895 10.027 -9.082 1.00 99.99 H new ATOM 0 HA LYS A 78 2.852 8.600 -7.597 1.00 99.99 H new ATOM 0 HB2 LYS A 78 5.103 8.064 -9.581 1.00 99.99 H new ATOM 0 HB3 LYS A 78 4.281 6.703 -8.845 1.00 99.99 H new ATOM 0 HG2 LYS A 78 2.597 6.955 -10.358 1.00 99.99 H new ATOM 0 HG3 LYS A 78 2.203 8.493 -9.616 1.00 99.99 H new ATOM 0 HD2 LYS A 78 3.597 9.724 -11.137 1.00 99.99 H new ATOM 0 HD3 LYS A 78 4.483 8.293 -11.625 1.00 99.99 H new ATOM 0 HE2 LYS A 78 2.040 7.451 -12.416 1.00 99.99 H new ATOM 0 HE3 LYS A 78 1.701 9.169 -12.459 1.00 99.99 H new ATOM 0 HZ1 LYS A 78 2.705 8.422 -14.557 1.00 99.99 H new ATOM 0 HZ2 LYS A 78 3.741 9.511 -13.767 1.00 99.99 H new ATOM 0 HZ3 LYS A 78 4.069 7.846 -13.726 1.00 99.99 H new ATOM 1136 N VAL A 79 4.201 8.272 -5.469 1.00 99.99 N ATOM 1137 CA VAL A 79 4.898 7.745 -4.272 1.00 99.99 C ATOM 1138 C VAL A 79 4.599 6.247 -4.134 1.00 99.99 C ATOM 1139 O VAL A 79 3.822 5.696 -4.889 1.00 99.99 O ATOM 1140 CB VAL A 79 4.302 8.525 -3.104 1.00 99.99 C ATOM 1141 CG1 VAL A 79 4.643 10.009 -3.253 1.00 99.99 C ATOM 1142 CG2 VAL A 79 2.783 8.351 -3.098 1.00 99.99 C ATOM 0 H VAL A 79 3.364 8.823 -5.278 1.00 99.99 H new ATOM 0 HA VAL A 79 5.981 7.858 -4.321 1.00 99.99 H new ATOM 0 HB VAL A 79 4.716 8.149 -2.168 1.00 99.99 H new ATOM 0 HG11 VAL A 79 4.217 10.566 -2.418 1.00 99.99 H new ATOM 0 HG12 VAL A 79 5.726 10.135 -3.258 1.00 99.99 H new ATOM 0 HG13 VAL A 79 4.230 10.385 -4.189 1.00 99.99 H new ATOM 0 HG21 VAL A 79 2.356 8.908 -2.264 1.00 99.99 H new ATOM 0 HG22 VAL A 79 2.370 8.727 -4.034 1.00 99.99 H new ATOM 0 HG23 VAL A 79 2.538 7.294 -2.992 1.00 99.99 H new ATOM 1152 N LEU A 80 5.208 5.574 -3.193 1.00 50.00 N ATOM 1153 CA LEU A 80 4.938 4.112 -3.052 1.00 50.00 C ATOM 1154 C LEU A 80 4.663 3.732 -1.595 1.00 50.00 C ATOM 1155 O LEU A 80 5.369 4.134 -0.690 1.00 50.00 O ATOM 1156 CB LEU A 80 6.211 3.424 -3.545 1.00 50.00 C ATOM 1157 CG LEU A 80 5.836 2.250 -4.450 1.00 50.00 C ATOM 1158 CD1 LEU A 80 7.008 1.925 -5.377 1.00 50.00 C ATOM 1159 CD2 LEU A 80 5.515 1.026 -3.590 1.00 50.00 C ATOM 0 H LEU A 80 5.871 5.966 -2.525 1.00 50.00 H new ATOM 0 HA LEU A 80 4.055 3.815 -3.618 1.00 50.00 H new ATOM 0 HB2 LEU A 80 6.833 4.134 -4.090 1.00 50.00 H new ATOM 0 HB3 LEU A 80 6.798 3.071 -2.697 1.00 50.00 H new ATOM 0 HG LEU A 80 4.963 2.516 -5.046 1.00 50.00 H new ATOM 0 HD11 LEU A 80 6.740 1.088 -6.022 1.00 50.00 H new ATOM 0 HD12 LEU A 80 7.239 2.796 -5.990 1.00 50.00 H new ATOM 0 HD13 LEU A 80 7.881 1.659 -4.781 1.00 50.00 H new ATOM 0 HD21 LEU A 80 5.248 0.189 -4.234 1.00 50.00 H new ATOM 0 HD22 LEU A 80 6.388 0.761 -2.994 1.00 50.00 H new ATOM 0 HD23 LEU A 80 4.680 1.255 -2.928 1.00 50.00 H new ATOM 1171 N VAL A 81 3.644 2.949 -1.369 1.00 50.00 N ATOM 1172 CA VAL A 81 3.312 2.520 0.018 1.00 50.00 C ATOM 1173 C VAL A 81 3.351 0.989 0.109 1.00 50.00 C ATOM 1174 O VAL A 81 3.590 0.309 -0.869 1.00 50.00 O ATOM 1175 CB VAL A 81 1.896 3.038 0.263 1.00 50.00 C ATOM 1176 CG1 VAL A 81 1.682 3.234 1.762 1.00 50.00 C ATOM 1177 CG2 VAL A 81 1.706 4.375 -0.459 1.00 50.00 C ATOM 0 H VAL A 81 3.023 2.586 -2.092 1.00 50.00 H new ATOM 0 HA VAL A 81 4.016 2.905 0.756 1.00 50.00 H new ATOM 0 HB VAL A 81 1.174 2.316 -0.118 1.00 50.00 H new ATOM 0 HG11 VAL A 81 0.672 3.604 1.940 1.00 50.00 H new ATOM 0 HG12 VAL A 81 1.816 2.282 2.276 1.00 50.00 H new ATOM 0 HG13 VAL A 81 2.405 3.956 2.141 1.00 50.00 H new ATOM 0 HG21 VAL A 81 0.695 4.743 -0.283 1.00 50.00 H new ATOM 0 HG22 VAL A 81 2.427 5.099 -0.080 1.00 50.00 H new ATOM 0 HG23 VAL A 81 1.860 4.236 -1.529 1.00 50.00 H new ATOM 1187 N GLU A 82 3.117 0.443 1.270 1.00 50.00 N ATOM 1188 CA GLU A 82 3.141 -1.043 1.411 1.00 50.00 C ATOM 1189 C GLU A 82 2.069 -1.501 2.405 1.00 50.00 C ATOM 1190 O GLU A 82 1.861 -0.890 3.435 1.00 50.00 O ATOM 1191 CB GLU A 82 4.537 -1.370 1.940 1.00 50.00 C ATOM 1192 CG GLU A 82 4.926 -2.787 1.513 1.00 50.00 C ATOM 1193 CD GLU A 82 6.447 -2.935 1.560 1.00 50.00 C ATOM 1194 OE1 GLU A 82 7.072 -2.188 2.293 1.00 50.00 O ATOM 1195 OE2 GLU A 82 6.961 -3.794 0.862 1.00 50.00 O ATOM 0 H GLU A 82 2.911 0.958 2.126 1.00 50.00 H new ATOM 0 HA GLU A 82 2.934 -1.548 0.468 1.00 50.00 H new ATOM 0 HB2 GLU A 82 5.261 -0.651 1.555 1.00 50.00 H new ATOM 0 HB3 GLU A 82 4.554 -1.289 3.027 1.00 50.00 H new ATOM 0 HG2 GLU A 82 4.458 -3.518 2.173 1.00 50.00 H new ATOM 0 HG3 GLU A 82 4.562 -2.987 0.505 1.00 50.00 H new ATOM 1202 N MET A 83 1.385 -2.571 2.105 1.00 50.00 N ATOM 1203 CA MET A 83 0.326 -3.062 3.033 1.00 50.00 C ATOM 1204 C MET A 83 0.236 -4.589 2.979 1.00 50.00 C ATOM 1205 O MET A 83 0.432 -5.198 1.947 1.00 50.00 O ATOM 1206 CB MET A 83 -0.969 -2.430 2.523 1.00 50.00 C ATOM 1207 CG MET A 83 -1.553 -1.520 3.605 1.00 50.00 C ATOM 1208 SD MET A 83 -2.963 -0.608 2.929 1.00 50.00 S ATOM 1209 CE MET A 83 -2.019 0.723 2.150 1.00 50.00 C ATOM 0 H MET A 83 1.513 -3.126 1.259 1.00 50.00 H new ATOM 0 HA MET A 83 0.531 -2.795 4.070 1.00 50.00 H new ATOM 0 HB2 MET A 83 -0.774 -1.857 1.617 1.00 50.00 H new ATOM 0 HB3 MET A 83 -1.687 -3.207 2.260 1.00 50.00 H new ATOM 0 HG2 MET A 83 -1.868 -2.113 4.463 1.00 50.00 H new ATOM 0 HG3 MET A 83 -0.792 -0.824 3.960 1.00 50.00 H new ATOM 0 HE1 MET A 83 -2.069 1.617 2.772 1.00 50.00 H new ATOM 0 HE2 MET A 83 -0.979 0.415 2.040 1.00 50.00 H new ATOM 0 HE3 MET A 83 -2.439 0.940 1.168 1.00 50.00 H new ATOM 1219 N GLU A 84 -0.058 -5.210 4.088 1.00 50.00 N ATOM 1220 CA GLU A 84 -0.163 -6.686 4.115 1.00 50.00 C ATOM 1221 C GLU A 84 -1.579 -7.117 4.502 1.00 50.00 C ATOM 1222 O GLU A 84 -1.797 -7.642 5.576 1.00 50.00 O ATOM 1223 CB GLU A 84 0.846 -7.138 5.173 1.00 50.00 C ATOM 1224 CG GLU A 84 0.942 -6.095 6.289 1.00 50.00 C ATOM 1225 CD GLU A 84 1.416 -6.768 7.579 1.00 50.00 C ATOM 1226 OE1 GLU A 84 0.623 -7.471 8.182 1.00 50.00 O ATOM 1227 OE2 GLU A 84 2.564 -6.568 7.940 1.00 50.00 O ATOM 0 H GLU A 84 -0.230 -4.749 4.981 1.00 50.00 H new ATOM 0 HA GLU A 84 0.043 -7.128 3.140 1.00 50.00 H new ATOM 0 HB2 GLU A 84 0.543 -8.099 5.588 1.00 50.00 H new ATOM 0 HB3 GLU A 84 1.824 -7.283 4.715 1.00 50.00 H new ATOM 0 HG2 GLU A 84 1.635 -5.304 6.003 1.00 50.00 H new ATOM 0 HG3 GLU A 84 -0.029 -5.626 6.447 1.00 50.00 H new ATOM 1234 N PRO A 85 -2.496 -6.886 3.603 1.00 50.00 N ATOM 1235 CA PRO A 85 -3.910 -7.260 3.842 1.00 50.00 C ATOM 1236 C PRO A 85 -4.081 -8.776 3.723 1.00 50.00 C ATOM 1237 O PRO A 85 -3.239 -9.453 3.163 1.00 50.00 O ATOM 1238 CB PRO A 85 -4.665 -6.537 2.731 1.00 50.00 C ATOM 1239 CG PRO A 85 -3.659 -6.341 1.640 1.00 50.00 C ATOM 1240 CD PRO A 85 -2.303 -6.257 2.292 1.00 50.00 C ATOM 0 HA PRO A 85 -4.267 -6.988 4.836 1.00 50.00 H new ATOM 0 HB2 PRO A 85 -5.514 -7.126 2.383 1.00 50.00 H new ATOM 0 HB3 PRO A 85 -5.060 -5.583 3.079 1.00 50.00 H new ATOM 0 HG2 PRO A 85 -3.694 -7.168 0.931 1.00 50.00 H new ATOM 0 HG3 PRO A 85 -3.873 -5.431 1.079 1.00 50.00 H new ATOM 0 HD2 PRO A 85 -1.546 -6.780 1.707 1.00 50.00 H new ATOM 0 HD3 PRO A 85 -1.972 -5.223 2.391 1.00 50.00 H new ATOM 1248 N PRO A 86 -5.169 -9.261 4.254 1.00 50.00 N ATOM 1249 CA PRO A 86 -5.456 -10.716 4.206 1.00 50.00 C ATOM 1250 C PRO A 86 -5.850 -11.134 2.787 1.00 50.00 C ATOM 1251 O PRO A 86 -6.404 -10.360 2.033 1.00 50.00 O ATOM 1252 CB PRO A 86 -6.628 -10.880 5.168 1.00 50.00 C ATOM 1253 CG PRO A 86 -7.294 -9.541 5.199 1.00 50.00 C ATOM 1254 CD PRO A 86 -6.225 -8.509 4.941 1.00 50.00 C ATOM 0 HA PRO A 86 -4.600 -11.333 4.477 1.00 50.00 H new ATOM 0 HB2 PRO A 86 -7.314 -11.654 4.825 1.00 50.00 H new ATOM 0 HB3 PRO A 86 -6.286 -11.174 6.160 1.00 50.00 H new ATOM 0 HG2 PRO A 86 -8.077 -9.482 4.443 1.00 50.00 H new ATOM 0 HG3 PRO A 86 -7.770 -9.370 6.164 1.00 50.00 H new ATOM 0 HD2 PRO A 86 -6.599 -7.691 4.325 1.00 50.00 H new ATOM 0 HD3 PRO A 86 -5.862 -8.068 5.870 1.00 50.00 H new ATOM 1262 N PHE A 87 -5.566 -12.353 2.416 1.00 50.00 N ATOM 1263 CA PHE A 87 -5.924 -12.815 1.042 1.00 50.00 C ATOM 1264 C PHE A 87 -7.406 -12.544 0.767 1.00 50.00 C ATOM 1265 O PHE A 87 -8.275 -13.031 1.462 1.00 50.00 O ATOM 1266 CB PHE A 87 -5.647 -14.321 1.030 1.00 50.00 C ATOM 1267 CG PHE A 87 -4.490 -14.634 1.946 1.00 50.00 C ATOM 1268 CD1 PHE A 87 -3.297 -13.911 1.834 1.00 50.00 C ATOM 1269 CD2 PHE A 87 -4.614 -15.636 2.912 1.00 50.00 C ATOM 1270 CE1 PHE A 87 -2.227 -14.191 2.690 1.00 50.00 C ATOM 1271 CE2 PHE A 87 -3.544 -15.919 3.768 1.00 50.00 C ATOM 1272 CZ PHE A 87 -2.350 -15.197 3.658 1.00 50.00 C ATOM 0 H PHE A 87 -5.103 -13.048 3.002 1.00 50.00 H new ATOM 0 HA PHE A 87 -5.351 -12.294 0.275 1.00 50.00 H new ATOM 0 HB2 PHE A 87 -6.535 -14.866 1.351 1.00 50.00 H new ATOM 0 HB3 PHE A 87 -5.420 -14.650 0.016 1.00 50.00 H new ATOM 0 HD1 PHE A 87 -3.203 -13.137 1.087 1.00 50.00 H new ATOM 0 HD2 PHE A 87 -5.536 -16.192 2.998 1.00 50.00 H new ATOM 0 HE1 PHE A 87 -1.307 -13.632 2.605 1.00 50.00 H new ATOM 0 HE2 PHE A 87 -3.639 -16.695 4.514 1.00 50.00 H new ATOM 0 HZ PHE A 87 -1.524 -15.415 4.319 1.00 50.00 H new ATOM 1282 N GLY A 88 -7.699 -11.770 -0.242 1.00 50.00 N ATOM 1283 CA GLY A 88 -9.123 -11.470 -0.559 1.00 50.00 C ATOM 1284 C GLY A 88 -9.283 -9.973 -0.830 1.00 50.00 C ATOM 1285 O GLY A 88 -8.339 -9.211 -0.743 1.00 50.00 O ATOM 0 H GLY A 88 -7.015 -11.333 -0.859 1.00 50.00 H new ATOM 0 HA2 GLY A 88 -9.441 -12.044 -1.430 1.00 50.00 H new ATOM 0 HA3 GLY A 88 -9.762 -11.770 0.271 1.00 50.00 H new ATOM 1289 N ASP A 89 -10.470 -9.545 -1.158 1.00 50.00 N ATOM 1290 CA ASP A 89 -10.691 -8.097 -1.435 1.00 50.00 C ATOM 1291 C ASP A 89 -10.758 -7.312 -0.123 1.00 50.00 C ATOM 1292 O ASP A 89 -11.318 -7.766 0.855 1.00 50.00 O ATOM 1293 CB ASP A 89 -12.035 -8.036 -2.164 1.00 50.00 C ATOM 1294 CG ASP A 89 -13.147 -8.500 -1.222 1.00 50.00 C ATOM 1295 OD1 ASP A 89 -12.854 -9.279 -0.331 1.00 50.00 O ATOM 1296 OD2 ASP A 89 -14.273 -8.068 -1.409 1.00 50.00 O ATOM 0 H ASP A 89 -11.297 -10.135 -1.246 1.00 50.00 H new ATOM 0 HA ASP A 89 -9.885 -7.661 -2.025 1.00 50.00 H new ATOM 0 HB2 ASP A 89 -12.231 -7.019 -2.503 1.00 50.00 H new ATOM 0 HB3 ASP A 89 -12.008 -8.668 -3.052 1.00 50.00 H new ATOM 1301 N SER A 90 -10.193 -6.137 -0.094 1.00 50.00 N ATOM 1302 CA SER A 90 -10.228 -5.324 1.154 1.00 50.00 C ATOM 1303 C SER A 90 -10.587 -3.872 0.828 1.00 50.00 C ATOM 1304 O SER A 90 -10.296 -3.378 -0.243 1.00 50.00 O ATOM 1305 CB SER A 90 -8.813 -5.412 1.726 1.00 50.00 C ATOM 1306 OG SER A 90 -7.941 -4.602 0.950 1.00 50.00 O ATOM 0 H SER A 90 -9.709 -5.704 -0.881 1.00 50.00 H new ATOM 0 HA SER A 90 -10.975 -5.685 1.861 1.00 50.00 H new ATOM 0 HB2 SER A 90 -8.807 -5.081 2.765 1.00 50.00 H new ATOM 0 HB3 SER A 90 -8.469 -6.446 1.719 1.00 50.00 H new ATOM 0 HG SER A 90 -7.033 -4.655 1.316 1.00 50.00 H new ATOM 1312 N TYR A 91 -11.217 -3.187 1.741 1.00 50.00 N ATOM 1313 CA TYR A 91 -11.594 -1.770 1.482 1.00 50.00 C ATOM 1314 C TYR A 91 -10.553 -0.826 2.085 1.00 50.00 C ATOM 1315 O TYR A 91 -10.502 -0.624 3.283 1.00 50.00 O ATOM 1316 CB TYR A 91 -12.944 -1.589 2.177 1.00 50.00 C ATOM 1317 CG TYR A 91 -14.032 -1.477 1.138 1.00 50.00 C ATOM 1318 CD1 TYR A 91 -14.015 -2.313 0.016 1.00 50.00 C ATOM 1319 CD2 TYR A 91 -15.055 -0.535 1.295 1.00 50.00 C ATOM 1320 CE1 TYR A 91 -15.023 -2.210 -0.949 1.00 50.00 C ATOM 1321 CE2 TYR A 91 -16.063 -0.431 0.330 1.00 50.00 C ATOM 1322 CZ TYR A 91 -16.048 -1.268 -0.792 1.00 50.00 C ATOM 1323 OH TYR A 91 -17.042 -1.165 -1.744 1.00 49.57 O ATOM 0 H TYR A 91 -11.487 -3.548 2.656 1.00 50.00 H new ATOM 0 HA TYR A 91 -11.647 -1.545 0.417 1.00 50.00 H new ATOM 0 HB2 TYR A 91 -13.142 -2.434 2.837 1.00 50.00 H new ATOM 0 HB3 TYR A 91 -12.928 -0.695 2.800 1.00 50.00 H new ATOM 0 HD1 TYR A 91 -13.224 -3.038 -0.105 1.00 50.00 H new ATOM 0 HD2 TYR A 91 -15.066 0.111 2.160 1.00 50.00 H new ATOM 0 HE1 TYR A 91 -15.011 -2.856 -1.814 1.00 50.00 H new ATOM 0 HE2 TYR A 91 -16.853 0.295 0.451 1.00 50.00 H new ATOM 0 HH TYR A 91 -17.675 -0.464 -1.482 1.00 49.57 H new ATOM 1333 N ILE A 92 -9.725 -0.241 1.265 1.00 50.00 N ATOM 1334 CA ILE A 92 -8.694 0.695 1.793 1.00 50.00 C ATOM 1335 C ILE A 92 -9.207 2.134 1.686 1.00 50.00 C ATOM 1336 O ILE A 92 -9.782 2.520 0.689 1.00 50.00 O ATOM 1337 CB ILE A 92 -7.472 0.487 0.898 1.00 50.00 C ATOM 1338 CG1 ILE A 92 -6.246 1.130 1.553 1.00 50.00 C ATOM 1339 CG2 ILE A 92 -7.719 1.132 -0.466 1.00 50.00 C ATOM 1340 CD1 ILE A 92 -6.441 2.645 1.630 1.00 50.00 C ATOM 0 H ILE A 92 -9.718 -0.370 0.253 1.00 50.00 H new ATOM 0 HA ILE A 92 -8.457 0.513 2.841 1.00 50.00 H new ATOM 0 HB ILE A 92 -7.297 -0.581 0.766 1.00 50.00 H new ATOM 0 HG12 ILE A 92 -6.099 0.721 2.552 1.00 50.00 H new ATOM 0 HG13 ILE A 92 -5.350 0.897 0.978 1.00 50.00 H new ATOM 0 HG21 ILE A 92 -6.847 0.983 -1.102 1.00 50.00 H new ATOM 0 HG22 ILE A 92 -8.591 0.674 -0.932 1.00 50.00 H new ATOM 0 HG23 ILE A 92 -7.895 2.200 -0.337 1.00 50.00 H new ATOM 0 HD11 ILE A 92 -5.568 3.101 2.096 1.00 50.00 H new ATOM 0 HD12 ILE A 92 -6.567 3.047 0.625 1.00 50.00 H new ATOM 0 HD13 ILE A 92 -7.327 2.868 2.224 1.00 50.00 H new ATOM 1352 N VAL A 93 -9.017 2.927 2.705 1.00 50.00 N ATOM 1353 CA VAL A 93 -9.513 4.333 2.645 1.00 50.00 C ATOM 1354 C VAL A 93 -8.373 5.325 2.893 1.00 50.00 C ATOM 1355 O VAL A 93 -7.777 5.349 3.951 1.00 50.00 O ATOM 1356 CB VAL A 93 -10.558 4.429 3.755 1.00 50.00 C ATOM 1357 CG1 VAL A 93 -11.246 5.794 3.695 1.00 50.00 C ATOM 1358 CG2 VAL A 93 -11.602 3.326 3.567 1.00 50.00 C ATOM 0 H VAL A 93 -8.544 2.666 3.570 1.00 50.00 H new ATOM 0 HA VAL A 93 -9.927 4.577 1.667 1.00 50.00 H new ATOM 0 HB VAL A 93 -10.070 4.311 4.723 1.00 50.00 H new ATOM 0 HG11 VAL A 93 -11.991 5.861 4.488 1.00 50.00 H new ATOM 0 HG12 VAL A 93 -10.504 6.582 3.827 1.00 50.00 H new ATOM 0 HG13 VAL A 93 -11.734 5.913 2.727 1.00 50.00 H new ATOM 0 HG21 VAL A 93 -12.349 3.393 4.358 1.00 50.00 H new ATOM 0 HG22 VAL A 93 -12.088 3.446 2.599 1.00 50.00 H new ATOM 0 HG23 VAL A 93 -11.114 2.352 3.610 1.00 50.00 H new ATOM 1368 N VAL A 94 -8.072 6.149 1.925 1.00 50.00 N ATOM 1369 CA VAL A 94 -6.980 7.145 2.105 1.00 50.00 C ATOM 1370 C VAL A 94 -7.575 8.542 2.290 1.00 50.00 C ATOM 1371 O VAL A 94 -7.875 9.232 1.336 1.00 50.00 O ATOM 1372 CB VAL A 94 -6.163 7.076 0.814 1.00 50.00 C ATOM 1373 CG1 VAL A 94 -5.026 8.099 0.872 1.00 50.00 C ATOM 1374 CG2 VAL A 94 -5.576 5.672 0.658 1.00 50.00 C ATOM 0 H VAL A 94 -8.536 6.174 1.017 1.00 50.00 H new ATOM 0 HA VAL A 94 -6.368 6.938 2.983 1.00 50.00 H new ATOM 0 HB VAL A 94 -6.808 7.299 -0.036 1.00 50.00 H new ATOM 0 HG11 VAL A 94 -4.444 8.049 -0.048 1.00 50.00 H new ATOM 0 HG12 VAL A 94 -5.443 9.100 0.984 1.00 50.00 H new ATOM 0 HG13 VAL A 94 -4.380 7.877 1.722 1.00 50.00 H new ATOM 0 HG21 VAL A 94 -4.993 5.621 -0.262 1.00 50.00 H new ATOM 0 HG22 VAL A 94 -4.931 5.451 1.509 1.00 50.00 H new ATOM 0 HG23 VAL A 94 -6.385 4.942 0.616 1.00 50.00 H new ATOM 1384 N GLY A 95 -7.752 8.964 3.512 1.00 50.00 N ATOM 1385 CA GLY A 95 -8.332 10.316 3.755 1.00 50.00 C ATOM 1386 C GLY A 95 -7.897 10.823 5.131 1.00 50.00 C ATOM 1387 O GLY A 95 -7.336 10.094 5.925 1.00 50.00 O ATOM 0 H GLY A 95 -7.521 8.433 4.351 1.00 50.00 H new ATOM 0 HA2 GLY A 95 -8.002 11.008 2.981 1.00 50.00 H new ATOM 0 HA3 GLY A 95 -9.420 10.271 3.700 1.00 50.00 H new ATOM 1391 N MET A 96 -8.156 12.069 5.422 1.00 50.00 N ATOM 1392 CA MET A 96 -7.762 12.623 6.748 1.00 50.00 C ATOM 1393 C MET A 96 -8.786 12.221 7.814 1.00 50.00 C ATOM 1394 O MET A 96 -8.475 11.511 8.750 1.00 50.00 O ATOM 1395 CB MET A 96 -7.755 14.140 6.556 1.00 50.00 C ATOM 1396 CG MET A 96 -6.371 14.589 6.085 1.00 50.00 C ATOM 1397 SD MET A 96 -6.286 16.398 6.101 1.00 50.00 S ATOM 1398 CE MET A 96 -6.028 16.630 4.325 1.00 50.00 C ATOM 0 H MET A 96 -8.624 12.727 4.798 1.00 50.00 H new ATOM 0 HA MET A 96 -6.794 12.250 7.081 1.00 50.00 H new ATOM 0 HB2 MET A 96 -8.511 14.428 5.825 1.00 50.00 H new ATOM 0 HB3 MET A 96 -8.011 14.637 7.492 1.00 50.00 H new ATOM 0 HG2 MET A 96 -5.601 14.172 6.734 1.00 50.00 H new ATOM 0 HG3 MET A 96 -6.178 14.214 5.080 1.00 50.00 H new ATOM 0 HE1 MET A 96 -5.126 17.220 4.162 1.00 50.00 H new ATOM 0 HE2 MET A 96 -5.918 15.658 3.843 1.00 50.00 H new ATOM 0 HE3 MET A 96 -6.885 17.151 3.898 1.00 50.00 H new ATOM 1408 N GLY A 97 -10.005 12.668 7.679 1.00 50.00 N ATOM 1409 CA GLY A 97 -11.046 12.311 8.683 1.00 50.00 C ATOM 1410 C GLY A 97 -12.432 12.418 8.044 1.00 50.00 C ATOM 1411 O GLY A 97 -13.109 11.430 7.838 1.00 50.00 O ATOM 0 H GLY A 97 -10.325 13.265 6.916 1.00 50.00 H new ATOM 0 HA2 GLY A 97 -10.880 11.298 9.049 1.00 50.00 H new ATOM 0 HA3 GLY A 97 -10.979 12.976 9.544 1.00 50.00 H new ATOM 1415 N ASP A 98 -12.859 13.610 7.730 1.00 50.00 N ATOM 1416 CA ASP A 98 -14.203 13.779 7.104 1.00 50.00 C ATOM 1417 C ASP A 98 -14.188 13.255 5.665 1.00 50.00 C ATOM 1418 O ASP A 98 -14.700 12.193 5.376 1.00 50.00 O ATOM 1419 CB ASP A 98 -14.463 15.286 7.122 1.00 50.00 C ATOM 1420 CG ASP A 98 -15.652 15.610 6.217 1.00 50.00 C ATOM 1421 OD1 ASP A 98 -16.771 15.353 6.628 1.00 50.00 O ATOM 1422 OD2 ASP A 98 -15.423 16.110 5.128 1.00 50.00 O ATOM 0 H ASP A 98 -12.337 14.474 7.879 1.00 50.00 H new ATOM 0 HA ASP A 98 -14.977 13.225 7.635 1.00 50.00 H new ATOM 0 HB2 ASP A 98 -14.666 15.618 8.140 1.00 50.00 H new ATOM 0 HB3 ASP A 98 -13.577 15.823 6.782 1.00 50.00 H new ATOM 1427 N LYS A 99 -13.605 13.995 4.761 1.00 50.00 N ATOM 1428 CA LYS A 99 -13.559 13.544 3.346 1.00 50.00 C ATOM 1429 C LYS A 99 -12.447 12.510 3.154 1.00 50.00 C ATOM 1430 O LYS A 99 -11.286 12.783 3.382 1.00 50.00 O ATOM 1431 CB LYS A 99 -13.262 14.807 2.537 1.00 50.00 C ATOM 1432 CG LYS A 99 -14.054 14.772 1.228 1.00 50.00 C ATOM 1433 CD LYS A 99 -15.343 15.581 1.390 1.00 50.00 C ATOM 1434 CE LYS A 99 -16.195 15.442 0.127 1.00 50.00 C ATOM 1435 NZ LYS A 99 -16.818 16.781 -0.066 1.00 50.00 N ATOM 0 H LYS A 99 -13.159 14.894 4.944 1.00 50.00 H new ATOM 0 HA LYS A 99 -14.489 13.069 3.035 1.00 50.00 H new ATOM 0 HB2 LYS A 99 -13.530 15.692 3.113 1.00 50.00 H new ATOM 0 HB3 LYS A 99 -12.195 14.875 2.327 1.00 50.00 H new ATOM 0 HG2 LYS A 99 -13.454 15.183 0.416 1.00 50.00 H new ATOM 0 HG3 LYS A 99 -14.290 13.742 0.960 1.00 50.00 H new ATOM 0 HD2 LYS A 99 -15.900 15.228 2.258 1.00 50.00 H new ATOM 0 HD3 LYS A 99 -15.107 16.630 1.568 1.00 50.00 H new ATOM 0 HE2 LYS A 99 -15.585 15.163 -0.732 1.00 50.00 H new ATOM 0 HE3 LYS A 99 -16.953 14.667 0.245 1.00 50.00 H new ATOM 0 HZ1 LYS A 99 -17.419 16.765 -0.915 1.00 50.00 H new ATOM 0 HZ2 LYS A 99 -17.398 17.017 0.764 1.00 50.00 H new ATOM 0 HZ3 LYS A 99 -16.073 17.497 -0.183 1.00 50.00 H new ATOM 1449 N GLN A 100 -12.794 11.322 2.738 1.00 0.00 N ATOM 1450 CA GLN A 100 -11.756 10.272 2.534 1.00 0.00 C ATOM 1451 C GLN A 100 -12.071 9.458 1.274 1.00 0.00 C ATOM 1452 O GLN A 100 -13.215 9.277 0.909 1.00 0.00 O ATOM 1453 CB GLN A 100 -11.817 9.383 3.784 1.00 0.00 C ATOM 1454 CG GLN A 100 -13.146 9.593 4.520 1.00 0.00 C ATOM 1455 CD GLN A 100 -14.304 9.169 3.616 1.00 0.00 C ATOM 1456 OE1 GLN A 100 -15.379 9.731 3.681 1.00 0.00 O ATOM 1457 NE2 GLN A 100 -14.127 8.194 2.770 1.00 0.00 N ATOM 0 H GLN A 100 -13.750 11.034 2.531 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.763 10.700 2.398 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.712 8.336 3.500 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.985 9.618 4.447 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -13.159 9.011 5.442 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.256 10.640 4.802 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -13.224 7.723 2.716 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -14.892 7.902 2.161 1.00 0.00 H new ATOM 1466 N ILE A 101 -11.064 8.972 0.602 1.00 0.00 N ATOM 1467 CA ILE A 101 -11.307 8.173 -0.634 1.00 0.00 C ATOM 1468 C ILE A 101 -11.232 6.677 -0.315 1.00 0.00 C ATOM 1469 O ILE A 101 -10.180 6.149 -0.011 1.00 0.00 O ATOM 1470 CB ILE A 101 -10.188 8.573 -1.595 1.00 0.00 C ATOM 1471 CG1 ILE A 101 -10.277 10.074 -1.882 1.00 0.00 C ATOM 1472 CG2 ILE A 101 -10.335 7.794 -2.903 1.00 0.00 C ATOM 1473 CD1 ILE A 101 -11.668 10.409 -2.424 1.00 0.00 C ATOM 0 H ILE A 101 -10.083 9.093 0.855 1.00 0.00 H new ATOM 0 HA ILE A 101 -12.293 8.360 -1.060 1.00 0.00 H new ATOM 0 HB ILE A 101 -9.222 8.345 -1.144 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -10.084 10.641 -0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -9.514 10.363 -2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -9.537 8.080 -3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -10.273 6.725 -2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -11.300 8.021 -3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -11.731 11.478 -2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -11.843 9.853 -3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -12.422 10.136 -1.686 1.00 0.00 H new ATOM 1485 N ASN A 102 -12.339 5.988 -0.382 1.00 0.00 N ATOM 1486 CA ASN A 102 -12.329 4.527 -0.081 1.00 0.00 C ATOM 1487 C ASN A 102 -12.354 3.717 -1.381 1.00 0.00 C ATOM 1488 O ASN A 102 -13.164 3.954 -2.255 1.00 0.00 O ATOM 1489 CB ASN A 102 -13.602 4.278 0.728 1.00 0.00 C ATOM 1490 CG ASN A 102 -14.818 4.739 -0.077 1.00 0.00 C ATOM 1491 OD1 ASN A 102 -14.681 5.434 -1.064 1.00 0.00 O ATOM 1492 ND2 ASN A 102 -16.012 4.376 0.304 1.00 0.00 N ATOM 0 H ASN A 102 -13.250 6.373 -0.632 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.434 4.226 0.464 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -13.692 3.218 0.967 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.555 4.816 1.675 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -16.830 4.676 -0.227 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -16.128 3.792 1.133 1.00 0.00 H new ATOM 1499 N HIS A 103 -11.472 2.765 -1.513 1.00 0.00 N ATOM 1500 CA HIS A 103 -11.443 1.942 -2.756 1.00 0.00 C ATOM 1501 C HIS A 103 -11.451 0.451 -2.407 1.00 0.00 C ATOM 1502 O HIS A 103 -11.308 0.069 -1.262 1.00 0.00 O ATOM 1503 CB HIS A 103 -10.137 2.321 -3.453 1.00 0.00 C ATOM 1504 CG HIS A 103 -10.412 3.374 -4.489 1.00 0.00 C ATOM 1505 ND1 HIS A 103 -11.532 4.188 -4.432 1.00 0.00 N ATOM 1506 CD2 HIS A 103 -9.726 3.758 -5.614 1.00 0.00 C ATOM 1507 CE1 HIS A 103 -11.489 5.012 -5.493 1.00 0.00 C ATOM 1508 NE2 HIS A 103 -10.408 4.792 -6.247 1.00 0.00 N ATOM 0 H HIS A 103 -10.770 2.521 -0.814 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.311 2.124 -3.389 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.417 2.692 -2.724 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -9.693 1.442 -3.921 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -12.257 4.166 -3.715 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.798 3.324 -5.956 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -12.237 5.760 -5.710 1.00 0.00 H new ATOM 1516 N HIS A 104 -11.617 -0.393 -3.388 1.00 0.00 N ATOM 1517 CA HIS A 104 -11.634 -1.860 -3.119 1.00 0.00 C ATOM 1518 C HIS A 104 -10.568 -2.563 -3.964 1.00 0.00 C ATOM 1519 O HIS A 104 -10.534 -2.432 -5.172 1.00 0.00 O ATOM 1520 CB HIS A 104 -13.032 -2.319 -3.530 1.00 0.00 C ATOM 1521 CG HIS A 104 -13.201 -2.144 -5.015 1.00 0.00 C ATOM 1522 ND1 HIS A 104 -13.376 -0.899 -5.598 1.00 0.00 N ATOM 1523 CD2 HIS A 104 -13.222 -3.047 -6.049 1.00 0.00 C ATOM 1524 CE1 HIS A 104 -13.493 -1.085 -6.925 1.00 0.00 C ATOM 1525 NE2 HIS A 104 -13.407 -2.376 -7.255 1.00 0.00 N ATOM 0 H HIS A 104 -11.742 -0.130 -4.366 1.00 0.00 H new ATOM 0 HA HIS A 104 -11.418 -2.093 -2.076 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -13.178 -3.364 -3.257 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -13.787 -1.742 -2.997 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -13.112 -4.116 -5.943 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -13.639 -0.287 -7.638 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -13.464 -2.783 -8.189 1.00 0.00 H new ATOM 1533 N TRP A 105 -9.698 -3.308 -3.341 1.00 0.00 N ATOM 1534 CA TRP A 105 -8.640 -4.015 -4.106 1.00 0.00 C ATOM 1535 C TRP A 105 -8.702 -5.520 -3.833 1.00 0.00 C ATOM 1536 O TRP A 105 -8.789 -5.953 -2.701 1.00 0.00 O ATOM 1537 CB TRP A 105 -7.322 -3.428 -3.601 1.00 0.00 C ATOM 1538 CG TRP A 105 -7.030 -2.157 -4.332 1.00 0.00 C ATOM 1539 CD1 TRP A 105 -7.369 -1.906 -5.618 1.00 0.00 C ATOM 1540 CD2 TRP A 105 -6.348 -0.963 -3.848 1.00 0.00 C ATOM 1541 NE1 TRP A 105 -6.940 -0.634 -5.953 1.00 0.00 N ATOM 1542 CE2 TRP A 105 -6.305 -0.013 -4.896 1.00 0.00 C ATOM 1543 CE3 TRP A 105 -5.768 -0.617 -2.614 1.00 0.00 C ATOM 1544 CZ2 TRP A 105 -5.708 1.236 -4.725 1.00 0.00 C ATOM 1545 CZ3 TRP A 105 -5.167 0.640 -2.439 1.00 0.00 C ATOM 1546 CH2 TRP A 105 -5.137 1.564 -3.493 1.00 0.00 C ATOM 0 H TRP A 105 -9.676 -3.456 -2.332 1.00 0.00 H new ATOM 0 HA TRP A 105 -8.755 -3.886 -5.182 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -7.383 -3.238 -2.529 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -6.512 -4.142 -3.752 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -7.889 -2.587 -6.275 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -7.076 -0.207 -6.869 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.785 -1.322 -1.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -5.687 1.945 -5.540 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -4.725 0.896 -1.487 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -4.673 2.529 -3.353 1.00 0.00 H new ATOM 1557 N HIS A 106 -8.657 -6.320 -4.863 1.00 0.00 N ATOM 1558 CA HIS A 106 -8.714 -7.798 -4.666 1.00 0.00 C ATOM 1559 C HIS A 106 -7.428 -8.449 -5.186 1.00 0.00 C ATOM 1560 O HIS A 106 -7.034 -8.246 -6.318 1.00 0.00 O ATOM 1561 CB HIS A 106 -9.916 -8.258 -5.492 1.00 0.00 C ATOM 1562 CG HIS A 106 -9.698 -7.895 -6.934 1.00 0.00 C ATOM 1563 ND1 HIS A 106 -9.290 -8.825 -7.878 1.00 0.00 N ATOM 1564 CD2 HIS A 106 -9.823 -6.706 -7.610 1.00 0.00 C ATOM 1565 CE1 HIS A 106 -9.185 -8.186 -9.058 1.00 0.00 C ATOM 1566 NE2 HIS A 106 -9.499 -6.892 -8.950 1.00 0.00 N ATOM 0 H HIS A 106 -8.583 -6.015 -5.833 1.00 0.00 H new ATOM 0 HA HIS A 106 -8.809 -8.073 -3.616 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -10.049 -9.335 -5.393 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.827 -7.789 -5.121 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -10.127 -5.769 -7.168 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -8.884 -8.661 -9.980 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -9.501 -6.191 -9.691 1.00 0.00 H new ATOM 1574 N LYS A 107 -6.773 -9.230 -4.372 1.00 0.00 N ATOM 1575 CA LYS A 107 -5.516 -9.892 -4.826 1.00 0.00 C ATOM 1576 C LYS A 107 -5.836 -11.247 -5.462 1.00 0.00 C ATOM 1577 O LYS A 107 -5.027 -11.823 -6.162 1.00 0.00 O ATOM 1578 CB LYS A 107 -4.681 -10.077 -3.558 1.00 0.00 C ATOM 1579 CG LYS A 107 -3.194 -10.042 -3.914 1.00 0.00 C ATOM 1580 CD LYS A 107 -2.743 -11.434 -4.363 1.00 0.00 C ATOM 1581 CE LYS A 107 -1.214 -11.510 -4.332 1.00 0.00 C ATOM 1582 NZ LYS A 107 -0.907 -12.907 -3.913 1.00 0.00 N ATOM 0 H LYS A 107 -7.053 -9.439 -3.414 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.987 -9.304 -5.576 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -4.912 -9.290 -2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -4.929 -11.026 -3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.016 -9.317 -4.708 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -2.610 -9.720 -3.052 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.169 -12.195 -3.709 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -3.108 -11.639 -5.370 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -0.788 -11.288 -5.310 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -0.797 -10.787 -3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 0.124 -13.037 -3.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -1.320 -13.087 -2.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.311 -13.573 -4.602 1.00 0.00 H new ATOM 1596 N ALA A 108 -7.011 -11.757 -5.221 1.00 0.00 N ATOM 1597 CA ALA A 108 -7.390 -13.075 -5.808 1.00 0.00 C ATOM 1598 C ALA A 108 -8.809 -13.459 -5.375 1.00 0.00 C ATOM 1599 O ALA A 108 -9.205 -13.233 -4.249 1.00 0.00 O ATOM 1600 CB ALA A 108 -6.371 -14.066 -5.248 1.00 0.00 C ATOM 0 H ALA A 108 -7.727 -11.318 -4.642 1.00 0.00 H new ATOM 0 HA ALA A 108 -7.385 -13.059 -6.898 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.583 -15.063 -5.634 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -5.368 -13.765 -5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.435 -14.078 -4.160 1.00 0.00 H new ATOM 1606 N GLY A 109 -9.573 -14.038 -6.261 1.00 0.00 N ATOM 1607 CA GLY A 109 -10.963 -14.437 -5.898 1.00 0.00 C ATOM 1608 C GLY A 109 -10.943 -15.828 -5.262 1.00 0.00 C ATOM 1609 O GLY A 109 -10.685 -16.817 -5.918 1.00 0.00 O ATOM 0 H GLY A 109 -9.295 -14.252 -7.219 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -11.391 -13.714 -5.204 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -11.596 -14.440 -6.786 1.00 0.00 H new ATOM 1613 N SER A 110 -11.213 -15.912 -3.988 1.00 0.00 N ATOM 1614 CA SER A 110 -11.207 -17.241 -3.311 1.00 0.00 C ATOM 1615 C SER A 110 -12.615 -17.595 -2.822 1.00 0.00 C ATOM 1616 O SER A 110 -12.797 -18.064 -1.717 1.00 0.00 O ATOM 1617 CB SER A 110 -10.255 -17.079 -2.128 1.00 0.00 C ATOM 1618 OG SER A 110 -10.916 -16.372 -1.087 1.00 0.00 O ATOM 0 H SER A 110 -11.437 -15.119 -3.387 1.00 0.00 H new ATOM 0 HA SER A 110 -10.894 -18.042 -3.980 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.931 -18.056 -1.771 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.360 -16.540 -2.438 1.00 0.00 H new ATOM 0 HG SER A 110 -11.686 -16.892 -0.776 1.00 0.00 H new ATOM 1624 N THR A 111 -13.610 -17.375 -3.636 1.00 0.00 N ATOM 1625 CA THR A 111 -15.003 -17.700 -3.216 1.00 0.00 C ATOM 1626 C THR A 111 -15.335 -16.996 -1.897 1.00 0.00 C ATOM 1627 O THR A 111 -15.202 -17.628 -0.862 1.00 49.57 O ATOM 1628 CB THR A 111 -15.016 -19.218 -3.033 1.00 0.00 C ATOM 1629 OG1 THR A 111 -14.451 -19.837 -4.181 1.00 0.00 O ATOM 1630 CG2 THR A 111 -16.455 -19.699 -2.849 1.00 0.00 C ATOM 1631 OXT THR A 111 -15.716 -15.839 -1.946 1.00 49.57 O ATOM 0 H THR A 111 -13.519 -16.984 -4.574 1.00 0.00 H new ATOM 0 HA THR A 111 -15.743 -17.371 -3.946 1.00 0.00 H new ATOM 0 HB THR A 111 -14.431 -19.483 -2.152 1.00 0.00 H new ATOM 0 HG1 THR A 111 -14.457 -20.810 -4.064 1.00 0.00 H new ATOM 0 HG21 THR A 111 -16.463 -20.781 -2.719 1.00 0.00 H new ATOM 0 HG22 THR A 111 -16.888 -19.224 -1.968 1.00 0.00 H new ATOM 0 HG23 THR A 111 -17.042 -19.435 -3.729 1.00 0.00 H new TER 1639 THR A 111