USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 915 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 90 ASN : amide:sc= -4.36! C(o=-4.4!,f=-4.4!) USER MOD Set 1.2: A 94 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 48 TYR OH : rot 165:sc= 0.547 USER MOD Set 2.2: A 53 LYS NZ :NH3+ -169:sc= 0.484 (180deg=-0.626) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -141:sc= -0.139 (180deg=-1.12) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -144:sc= -1.14 (180deg=-5.55!) USER MOD Single : A 21 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00354) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.272 USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= -0.064 (180deg=-0.376) USER MOD Single : A 25 SER OG : rot 180:sc= -0.0479 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.215 X(o=-0.22,f=0.28) USER MOD Single : A 32 SER OG : rot -127:sc= 0.297 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD Single : A 40 SER OG : rot 180:sc=-0.000861 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.118) USER MOD Single : A 59 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0561) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= 0.856 F(o=-0.0014,f=0.86) USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.263 F(o=-0.91,f=-0.26) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 174:sc= 0.586 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0204 X(o=-0.02,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -130:sc= -0.201 (180deg=-0.572) USER MOD Single : A 83 CYS SG : rot -31:sc= -0.419 USER MOD Single : A 84 GLN : amide:sc= -0.141 K(o=-0.14,f=-1.6!) USER MOD Single : A 85 ASN : amide:sc= -0.186 K(o=-0.19,f=-0.98) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 88 THR OG1 : rot 70:sc= 1.19 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 69:sc= 0.687 USER MOD Single : A 104 GLN : amide:sc= -0.0597 X(o=-0.06,f=-0.027) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -79:sc= 0.65 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0.0402 X(o=0.04,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 11 2.071 -20.518 -0.724 1.00 0.00 N ATOM 2 CA LYS A 11 1.833 -19.213 -1.345 1.00 0.00 C ATOM 3 C LYS A 11 1.660 -18.121 -0.290 1.00 0.00 C ATOM 4 O LYS A 11 2.134 -16.998 -0.467 1.00 0.00 O ATOM 5 CB LYS A 11 0.594 -19.265 -2.244 1.00 0.00 C ATOM 6 CG LYS A 11 0.853 -19.871 -3.615 1.00 0.00 C ATOM 7 CD LYS A 11 1.200 -18.802 -4.640 1.00 0.00 C ATOM 8 CE LYS A 11 0.861 -19.253 -6.055 1.00 0.00 C ATOM 9 NZ LYS A 11 -0.439 -18.691 -6.526 1.00 0.00 N ATOM 0 HA LYS A 11 2.706 -18.971 -1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.183 -19.843 -1.743 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.207 -18.254 -2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.669 -20.591 -3.548 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.030 -20.420 -3.944 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.657 -17.886 -4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.263 -18.567 -4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.656 -18.945 -6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.818 -20.342 -6.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.631 -19.023 -7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.203 -19.006 -5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -0.391 -17.652 -6.520 1.00 0.00 H new ATOM 23 N MET A 12 0.980 -18.459 0.806 1.00 0.00 N ATOM 24 CA MET A 12 0.745 -17.508 1.893 1.00 0.00 C ATOM 25 C MET A 12 2.064 -16.962 2.435 1.00 0.00 C ATOM 26 O MET A 12 2.225 -15.750 2.590 1.00 0.00 O ATOM 27 CB MET A 12 -0.047 -18.173 3.023 1.00 0.00 C ATOM 28 CG MET A 12 -0.621 -17.190 4.033 1.00 0.00 C ATOM 29 SD MET A 12 -2.371 -16.848 3.757 1.00 0.00 S ATOM 30 CE MET A 12 -2.420 -15.078 4.036 1.00 0.00 C ATOM 0 H MET A 12 0.582 -19.385 0.965 1.00 0.00 H new ATOM 0 HA MET A 12 0.164 -16.677 1.493 1.00 0.00 H new ATOM 0 HB2 MET A 12 -0.863 -18.752 2.590 1.00 0.00 H new ATOM 0 HB3 MET A 12 0.602 -18.877 3.544 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.487 -17.589 5.038 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.061 -16.256 3.984 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.333 -14.819 4.572 1.00 0.00 H new ATOM 0 HE2 MET A 12 -1.555 -14.779 4.628 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.401 -14.558 3.078 1.00 0.00 H new ATOM 40 N LYS A 13 3.007 -17.863 2.715 1.00 0.00 N ATOM 41 CA LYS A 13 4.315 -17.472 3.234 1.00 0.00 C ATOM 42 C LYS A 13 5.037 -16.553 2.252 1.00 0.00 C ATOM 43 O LYS A 13 5.680 -15.589 2.655 1.00 0.00 O ATOM 44 CB LYS A 13 5.174 -18.706 3.523 1.00 0.00 C ATOM 45 CG LYS A 13 5.535 -18.866 4.993 1.00 0.00 C ATOM 46 CD LYS A 13 6.352 -20.128 5.234 1.00 0.00 C ATOM 47 CE LYS A 13 5.927 -20.836 6.513 1.00 0.00 C ATOM 48 NZ LYS A 13 6.913 -20.639 7.615 1.00 0.00 N ATOM 0 H LYS A 13 2.888 -18.868 2.590 1.00 0.00 H new ATOM 0 HA LYS A 13 4.156 -16.929 4.166 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.640 -19.596 3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 13 6.091 -18.646 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.101 -17.996 5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.624 -18.902 5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.236 -20.804 4.387 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.410 -19.871 5.294 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.952 -20.462 6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.811 -21.902 6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.585 -21.137 8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.837 -21.018 7.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.005 -19.624 7.821 1.00 0.00 H new ATOM 62 N LYS A 14 4.922 -16.858 0.962 1.00 0.00 N ATOM 63 CA LYS A 14 5.563 -16.054 -0.077 1.00 0.00 C ATOM 64 C LYS A 14 5.096 -14.596 -0.023 1.00 0.00 C ATOM 65 O LYS A 14 5.899 -13.678 -0.191 1.00 0.00 O ATOM 66 CB LYS A 14 5.271 -16.642 -1.461 1.00 0.00 C ATOM 67 CG LYS A 14 6.308 -16.274 -2.512 1.00 0.00 C ATOM 68 CD LYS A 14 6.041 -16.982 -3.832 1.00 0.00 C ATOM 69 CE LYS A 14 5.035 -16.222 -4.683 1.00 0.00 C ATOM 70 NZ LYS A 14 3.651 -16.312 -4.132 1.00 0.00 N ATOM 0 H LYS A 14 4.392 -17.655 0.611 1.00 0.00 H new ATOM 0 HA LYS A 14 6.638 -16.075 0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.217 -17.728 -1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.292 -16.298 -1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.301 -15.195 -2.669 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.302 -16.538 -2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.975 -17.090 -4.383 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.667 -17.987 -3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.332 -15.175 -4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.047 -16.619 -5.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.968 -16.360 -4.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.566 -17.166 -3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.453 -15.472 -3.552 1.00 0.00 H new ATOM 84 N ILE A 15 3.798 -14.388 0.210 1.00 0.00 N ATOM 85 CA ILE A 15 3.238 -13.038 0.280 1.00 0.00 C ATOM 86 C ILE A 15 3.669 -12.322 1.560 1.00 0.00 C ATOM 87 O ILE A 15 4.133 -11.182 1.515 1.00 0.00 O ATOM 88 CB ILE A 15 1.692 -13.041 0.204 1.00 0.00 C ATOM 89 CG1 ILE A 15 1.207 -13.861 -0.997 1.00 0.00 C ATOM 90 CG2 ILE A 15 1.162 -11.614 0.122 1.00 0.00 C ATOM 91 CD1 ILE A 15 1.623 -13.287 -2.336 1.00 0.00 C ATOM 0 H ILE A 15 3.118 -15.135 0.353 1.00 0.00 H new ATOM 0 HA ILE A 15 3.629 -12.504 -0.586 1.00 0.00 H new ATOM 0 HB ILE A 15 1.306 -13.505 1.112 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.593 -14.877 -0.912 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.120 -13.930 -0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.073 -11.633 0.069 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.473 -11.059 1.007 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.560 -11.129 -0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.244 -13.921 -3.137 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.214 -12.282 -2.444 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.711 -13.244 -2.391 1.00 0.00 H new ATOM 103 N VAL A 16 3.505 -12.992 2.701 1.00 0.00 N ATOM 104 CA VAL A 16 3.871 -12.406 3.991 1.00 0.00 C ATOM 105 C VAL A 16 5.382 -12.249 4.135 1.00 0.00 C ATOM 106 O VAL A 16 5.858 -11.207 4.584 1.00 0.00 O ATOM 107 CB VAL A 16 3.327 -13.229 5.182 1.00 0.00 C ATOM 108 CG1 VAL A 16 1.806 -13.244 5.165 1.00 0.00 C ATOM 109 CG2 VAL A 16 3.882 -14.648 5.175 1.00 0.00 C ATOM 0 H VAL A 16 3.123 -13.936 2.759 1.00 0.00 H new ATOM 0 HA VAL A 16 3.409 -11.419 4.011 1.00 0.00 H new ATOM 0 HB VAL A 16 3.660 -12.750 6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.438 -13.827 6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.431 -12.223 5.239 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.457 -13.693 4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 16 3.480 -15.200 6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.594 -15.147 4.249 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.969 -14.614 5.246 1.00 0.00 H new ATOM 119 N ASP A 17 6.133 -13.283 3.752 1.00 0.00 N ATOM 120 CA ASP A 17 7.592 -13.247 3.843 1.00 0.00 C ATOM 121 C ASP A 17 8.159 -12.077 3.049 1.00 0.00 C ATOM 122 O ASP A 17 9.034 -11.364 3.533 1.00 0.00 O ATOM 123 CB ASP A 17 8.205 -14.559 3.338 1.00 0.00 C ATOM 124 CG ASP A 17 9.653 -14.725 3.765 1.00 0.00 C ATOM 125 OD1 ASP A 17 10.504 -13.930 3.313 1.00 0.00 O ATOM 126 OD2 ASP A 17 9.935 -15.653 4.550 1.00 0.00 O ATOM 0 H ASP A 17 5.755 -14.153 3.377 1.00 0.00 H new ATOM 0 HA ASP A 17 7.852 -13.118 4.894 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.620 -15.398 3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.144 -14.590 2.250 1.00 0.00 H new ATOM 131 N ALA A 18 7.659 -11.885 1.830 1.00 0.00 N ATOM 132 CA ALA A 18 8.131 -10.797 0.977 1.00 0.00 C ATOM 133 C ALA A 18 7.895 -9.434 1.628 1.00 0.00 C ATOM 134 O ALA A 18 8.754 -8.556 1.567 1.00 0.00 O ATOM 135 CB ALA A 18 7.459 -10.857 -0.389 1.00 0.00 C ATOM 0 H ALA A 18 6.931 -12.465 1.413 1.00 0.00 H new ATOM 0 HA ALA A 18 9.206 -10.923 0.845 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.823 -10.039 -1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.693 -11.808 -0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.379 -10.767 -0.268 1.00 0.00 H new ATOM 141 N VAL A 19 6.730 -9.264 2.253 1.00 0.00 N ATOM 142 CA VAL A 19 6.397 -8.002 2.911 1.00 0.00 C ATOM 143 C VAL A 19 7.164 -7.839 4.227 1.00 0.00 C ATOM 144 O VAL A 19 7.746 -6.783 4.484 1.00 0.00 O ATOM 145 CB VAL A 19 4.880 -7.885 3.180 1.00 0.00 C ATOM 146 CG1 VAL A 19 4.528 -6.498 3.698 1.00 0.00 C ATOM 147 CG2 VAL A 19 4.084 -8.205 1.921 1.00 0.00 C ATOM 0 H VAL A 19 6.006 -9.979 2.317 1.00 0.00 H new ATOM 0 HA VAL A 19 6.693 -7.205 2.229 1.00 0.00 H new ATOM 0 HB VAL A 19 4.615 -8.612 3.947 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.455 -6.439 3.880 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.065 -6.310 4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.812 -5.750 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.018 -8.117 2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.356 -7.506 1.131 1.00 0.00 H new ATOM 0 HG23 VAL A 19 4.307 -9.222 1.598 1.00 0.00 H new ATOM 157 N ILE A 20 7.158 -8.883 5.056 1.00 0.00 N ATOM 158 CA ILE A 20 7.854 -8.852 6.345 1.00 0.00 C ATOM 159 C ILE A 20 9.371 -8.768 6.161 1.00 0.00 C ATOM 160 O ILE A 20 10.061 -8.123 6.951 1.00 0.00 O ATOM 161 CB ILE A 20 7.508 -10.083 7.214 1.00 0.00 C ATOM 162 CG1 ILE A 20 5.989 -10.226 7.362 1.00 0.00 C ATOM 163 CG2 ILE A 20 8.165 -9.974 8.586 1.00 0.00 C ATOM 164 CD1 ILE A 20 5.535 -11.646 7.623 1.00 0.00 C ATOM 0 H ILE A 20 6.679 -9.762 4.859 1.00 0.00 H new ATOM 0 HA ILE A 20 7.510 -7.955 6.860 1.00 0.00 H new ATOM 0 HB ILE A 20 7.894 -10.972 6.716 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.651 -9.590 8.180 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.508 -9.861 6.454 1.00 0.00 H new ATOM 0 HG21 ILE A 20 7.909 -10.850 9.182 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.247 -9.919 8.468 1.00 0.00 H new ATOM 0 HG23 ILE A 20 7.809 -9.075 9.090 1.00 0.00 H new ATOM 0 HD11 ILE A 20 4.449 -11.669 7.716 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.842 -12.284 6.794 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.987 -12.008 8.547 1.00 0.00 H new ATOM 176 N LYS A 21 9.883 -9.415 5.116 1.00 0.00 N ATOM 177 CA LYS A 21 11.317 -9.401 4.835 1.00 0.00 C ATOM 178 C LYS A 21 11.819 -7.968 4.640 1.00 0.00 C ATOM 179 O LYS A 21 12.972 -7.662 4.949 1.00 0.00 O ATOM 180 CB LYS A 21 11.626 -10.242 3.591 1.00 0.00 C ATOM 181 CG LYS A 21 13.107 -10.330 3.257 1.00 0.00 C ATOM 182 CD LYS A 21 13.502 -9.319 2.190 1.00 0.00 C ATOM 183 CE LYS A 21 14.844 -8.673 2.502 1.00 0.00 C ATOM 184 NZ LYS A 21 15.960 -9.665 2.509 1.00 0.00 N ATOM 0 H LYS A 21 9.328 -9.954 4.451 1.00 0.00 H new ATOM 0 HA LYS A 21 11.835 -9.834 5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.237 -11.249 3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.096 -9.819 2.738 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.695 -10.157 4.158 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.343 -11.336 2.911 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.552 -9.813 1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.735 -8.548 2.116 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.053 -7.899 1.764 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.791 -8.181 3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.859 -9.175 2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 15.792 -10.371 3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 16.007 -10.141 1.585 1.00 0.00 H new ATOM 198 N TYR A 22 10.948 -7.092 4.129 1.00 0.00 N ATOM 199 CA TYR A 22 11.311 -5.697 3.902 1.00 0.00 C ATOM 200 C TYR A 22 10.657 -4.773 4.936 1.00 0.00 C ATOM 201 O TYR A 22 9.948 -3.827 4.584 1.00 0.00 O ATOM 202 CB TYR A 22 10.926 -5.269 2.482 1.00 0.00 C ATOM 203 CG TYR A 22 11.945 -4.357 1.830 1.00 0.00 C ATOM 204 CD1 TYR A 22 12.307 -3.149 2.417 1.00 0.00 C ATOM 205 CD2 TYR A 22 12.550 -4.709 0.630 1.00 0.00 C ATOM 206 CE1 TYR A 22 13.240 -2.320 1.826 1.00 0.00 C ATOM 207 CE2 TYR A 22 13.485 -3.886 0.034 1.00 0.00 C ATOM 208 CZ TYR A 22 13.827 -2.691 0.635 1.00 0.00 C ATOM 209 OH TYR A 22 14.760 -1.867 0.046 1.00 0.00 O ATOM 0 H TYR A 22 9.991 -7.327 3.867 1.00 0.00 H new ATOM 0 HA TYR A 22 12.392 -5.611 4.015 1.00 0.00 H new ATOM 0 HB2 TYR A 22 10.798 -6.158 1.865 1.00 0.00 H new ATOM 0 HB3 TYR A 22 9.962 -4.761 2.513 1.00 0.00 H new ATOM 0 HD1 TYR A 22 11.851 -2.855 3.351 1.00 0.00 H new ATOM 0 HD2 TYR A 22 12.285 -5.642 0.155 1.00 0.00 H new ATOM 0 HE1 TYR A 22 13.509 -1.385 2.295 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.947 -4.176 -0.898 1.00 0.00 H new ATOM 0 HH TYR A 22 15.077 -2.275 -0.787 1.00 0.00 H new ATOM 219 N LYS A 23 10.911 -5.049 6.217 1.00 0.00 N ATOM 220 CA LYS A 23 10.366 -4.238 7.302 1.00 0.00 C ATOM 221 C LYS A 23 11.449 -3.327 7.879 1.00 0.00 C ATOM 222 O LYS A 23 12.440 -3.806 8.435 1.00 0.00 O ATOM 223 CB LYS A 23 9.791 -5.132 8.406 1.00 0.00 C ATOM 224 CG LYS A 23 8.509 -5.852 8.012 1.00 0.00 C ATOM 225 CD LYS A 23 7.325 -4.900 7.945 1.00 0.00 C ATOM 226 CE LYS A 23 6.204 -5.465 7.084 1.00 0.00 C ATOM 227 NZ LYS A 23 5.427 -4.391 6.405 1.00 0.00 N ATOM 0 H LYS A 23 11.491 -5.829 6.526 1.00 0.00 H new ATOM 0 HA LYS A 23 9.563 -3.621 6.899 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.540 -5.872 8.687 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.597 -4.523 9.289 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.645 -6.332 7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.300 -6.642 8.733 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.952 -4.710 8.951 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.650 -3.942 7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.625 -6.136 6.336 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.534 -6.060 7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.528 -4.780 6.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.234 -3.623 7.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.976 -4.018 5.604 1.00 0.00 H new ATOM 241 N ASP A 24 11.257 -2.015 7.736 1.00 0.00 N ATOM 242 CA ASP A 24 12.219 -1.035 8.235 1.00 0.00 C ATOM 243 C ASP A 24 12.146 -0.912 9.753 1.00 0.00 C ATOM 244 O ASP A 24 11.096 -0.582 10.307 1.00 0.00 O ATOM 245 CB ASP A 24 11.966 0.335 7.601 1.00 0.00 C ATOM 246 CG ASP A 24 13.010 0.704 6.566 1.00 0.00 C ATOM 247 OD1 ASP A 24 14.149 1.028 6.959 1.00 0.00 O ATOM 248 OD2 ASP A 24 12.687 0.674 5.361 1.00 0.00 O ATOM 0 H ASP A 24 10.442 -1.607 7.278 1.00 0.00 H new ATOM 0 HA ASP A 24 13.215 -1.383 7.961 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.981 0.338 7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 24 11.951 1.095 8.382 1.00 0.00 H new ATOM 253 N SER A 25 13.273 -1.169 10.419 1.00 0.00 N ATOM 254 CA SER A 25 13.348 -1.079 11.876 1.00 0.00 C ATOM 255 C SER A 25 12.424 -2.096 12.550 1.00 0.00 C ATOM 256 O SER A 25 11.632 -2.770 11.886 1.00 0.00 O ATOM 257 CB SER A 25 12.992 0.339 12.338 1.00 0.00 C ATOM 258 OG SER A 25 13.341 0.536 13.696 1.00 0.00 O ATOM 0 H SER A 25 14.147 -1.442 9.970 1.00 0.00 H new ATOM 0 HA SER A 25 14.372 -1.308 12.170 1.00 0.00 H new ATOM 0 HB2 SER A 25 13.511 1.068 11.716 1.00 0.00 H new ATOM 0 HB3 SER A 25 11.924 0.510 12.205 1.00 0.00 H new ATOM 0 HG SER A 25 13.105 1.448 13.965 1.00 0.00 H new ATOM 264 N SER A 26 12.529 -2.190 13.874 1.00 0.00 N ATOM 265 CA SER A 26 11.705 -3.111 14.655 1.00 0.00 C ATOM 266 C SER A 26 10.336 -2.499 14.964 1.00 0.00 C ATOM 267 O SER A 26 9.414 -3.207 15.372 1.00 0.00 O ATOM 268 CB SER A 26 12.409 -3.482 15.966 1.00 0.00 C ATOM 269 OG SER A 26 13.817 -3.362 15.847 1.00 0.00 O ATOM 0 H SER A 26 13.180 -1.637 14.431 1.00 0.00 H new ATOM 0 HA SER A 26 11.558 -4.011 14.058 1.00 0.00 H new ATOM 0 HB2 SER A 26 12.053 -2.835 16.768 1.00 0.00 H new ATOM 0 HB3 SER A 26 12.151 -4.504 16.243 1.00 0.00 H new ATOM 0 HG SER A 26 14.239 -3.603 16.698 1.00 0.00 H new ATOM 275 N SER A 27 10.207 -1.184 14.770 1.00 0.00 N ATOM 276 CA SER A 27 8.948 -0.492 15.032 1.00 0.00 C ATOM 277 C SER A 27 8.129 -0.318 13.749 1.00 0.00 C ATOM 278 O SER A 27 6.921 -0.088 13.807 1.00 0.00 O ATOM 279 CB SER A 27 9.213 0.876 15.670 1.00 0.00 C ATOM 280 OG SER A 27 10.171 0.780 16.711 1.00 0.00 O ATOM 0 H SER A 27 10.958 -0.581 14.433 1.00 0.00 H new ATOM 0 HA SER A 27 8.371 -1.106 15.724 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.567 1.572 14.910 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.282 1.282 16.065 1.00 0.00 H new ATOM 0 HG SER A 27 10.322 1.667 17.099 1.00 0.00 H new ATOM 286 N GLY A 28 8.792 -0.422 12.595 1.00 0.00 N ATOM 287 CA GLY A 28 8.107 -0.267 11.323 1.00 0.00 C ATOM 288 C GLY A 28 8.080 1.177 10.850 1.00 0.00 C ATOM 289 O GLY A 28 7.176 1.575 10.113 1.00 0.00 O ATOM 0 H GLY A 28 9.792 -0.611 12.521 1.00 0.00 H new ATOM 0 HA2 GLY A 28 8.600 -0.883 10.571 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.085 -0.635 11.417 1.00 0.00 H new ATOM 293 N ARG A 29 9.076 1.961 11.269 1.00 0.00 N ATOM 294 CA ARG A 29 9.162 3.365 10.879 1.00 0.00 C ATOM 295 C ARG A 29 9.638 3.487 9.435 1.00 0.00 C ATOM 296 O ARG A 29 10.692 2.958 9.074 1.00 0.00 O ATOM 297 CB ARG A 29 10.107 4.129 11.812 1.00 0.00 C ATOM 298 CG ARG A 29 10.015 5.641 11.670 1.00 0.00 C ATOM 299 CD ARG A 29 10.169 6.342 13.013 1.00 0.00 C ATOM 300 NE ARG A 29 11.508 6.909 13.191 1.00 0.00 N ATOM 301 CZ ARG A 29 11.806 7.860 14.082 1.00 0.00 C ATOM 302 NH1 ARG A 29 10.868 8.351 14.889 1.00 0.00 N ATOM 303 NH2 ARG A 29 13.050 8.318 14.170 1.00 0.00 N ATOM 0 H ARG A 29 9.832 1.646 11.877 1.00 0.00 H new ATOM 0 HA ARG A 29 8.167 3.803 10.960 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.885 3.855 12.843 1.00 0.00 H new ATOM 0 HB3 ARG A 29 11.132 3.816 11.613 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.789 5.990 10.986 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.055 5.908 11.228 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.426 7.136 13.094 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.967 5.633 13.816 1.00 0.00 H new ATOM 0 HE ARG A 29 12.260 6.556 12.598 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.911 8.002 14.831 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.106 9.076 15.565 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.776 7.944 13.558 1.00 0.00 H new ATOM 0 HH22 ARG A 29 13.279 9.044 14.849 1.00 0.00 H new ATOM 317 N GLN A 30 8.850 4.176 8.615 1.00 0.00 N ATOM 318 CA GLN A 30 9.180 4.360 7.204 1.00 0.00 C ATOM 319 C GLN A 30 8.395 5.530 6.608 1.00 0.00 C ATOM 320 O GLN A 30 7.498 6.076 7.250 1.00 0.00 O ATOM 321 CB GLN A 30 8.873 3.075 6.425 1.00 0.00 C ATOM 322 CG GLN A 30 9.927 2.715 5.389 1.00 0.00 C ATOM 323 CD GLN A 30 9.405 1.760 4.331 1.00 0.00 C ATOM 324 OE1 GLN A 30 9.907 0.646 4.187 1.00 0.00 O ATOM 325 NE2 GLN A 30 8.395 2.195 3.582 1.00 0.00 N ATOM 0 H GLN A 30 7.977 4.617 8.903 1.00 0.00 H new ATOM 0 HA GLN A 30 10.244 4.585 7.126 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.774 2.250 7.130 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.910 3.186 5.926 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.283 3.626 4.907 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.784 2.264 5.890 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.010 3.127 3.737 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.006 1.597 2.853 1.00 0.00 H new ATOM 334 N LEU A 31 8.734 5.900 5.373 1.00 0.00 N ATOM 335 CA LEU A 31 8.054 6.997 4.680 1.00 0.00 C ATOM 336 C LEU A 31 6.578 6.662 4.448 1.00 0.00 C ATOM 337 O LEU A 31 5.717 7.542 4.496 1.00 0.00 O ATOM 338 CB LEU A 31 8.737 7.298 3.342 1.00 0.00 C ATOM 339 CG LEU A 31 10.248 7.542 3.416 1.00 0.00 C ATOM 340 CD1 LEU A 31 10.899 7.282 2.064 1.00 0.00 C ATOM 341 CD2 LEU A 31 10.535 8.962 3.889 1.00 0.00 C ATOM 0 H LEU A 31 9.476 5.457 4.831 1.00 0.00 H new ATOM 0 HA LEU A 31 8.116 7.882 5.313 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.553 6.464 2.664 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.265 8.177 2.902 1.00 0.00 H new ATOM 0 HG LEU A 31 10.676 6.847 4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.972 7.461 2.136 1.00 0.00 H new ATOM 0 HD12 LEU A 31 10.722 6.248 1.768 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.469 7.951 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 31 11.613 9.119 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.095 9.674 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.103 9.110 4.879 1.00 0.00 H new ATOM 353 N SER A 32 6.299 5.382 4.193 1.00 0.00 N ATOM 354 CA SER A 32 4.932 4.914 3.948 1.00 0.00 C ATOM 355 C SER A 32 4.059 4.947 5.213 1.00 0.00 C ATOM 356 O SER A 32 2.883 4.583 5.158 1.00 0.00 O ATOM 357 CB SER A 32 4.958 3.491 3.383 1.00 0.00 C ATOM 358 OG SER A 32 3.837 3.248 2.548 1.00 0.00 O ATOM 0 H SER A 32 7.005 4.647 4.151 1.00 0.00 H new ATOM 0 HA SER A 32 4.488 5.599 3.225 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.876 3.339 2.816 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.967 2.772 4.202 1.00 0.00 H new ATOM 0 HG SER A 32 3.382 2.431 2.841 1.00 0.00 H new ATOM 364 N GLU A 33 4.623 5.384 6.347 1.00 0.00 N ATOM 365 CA GLU A 33 3.868 5.456 7.600 1.00 0.00 C ATOM 366 C GLU A 33 2.619 6.329 7.450 1.00 0.00 C ATOM 367 O GLU A 33 1.644 6.161 8.184 1.00 0.00 O ATOM 368 CB GLU A 33 4.748 6.003 8.726 1.00 0.00 C ATOM 369 CG GLU A 33 5.359 4.919 9.599 1.00 0.00 C ATOM 370 CD GLU A 33 4.579 4.683 10.878 1.00 0.00 C ATOM 371 OE1 GLU A 33 3.343 4.516 10.800 1.00 0.00 O ATOM 372 OE2 GLU A 33 5.205 4.665 11.959 1.00 0.00 O ATOM 0 H GLU A 33 5.593 5.691 6.420 1.00 0.00 H new ATOM 0 HA GLU A 33 3.551 4.444 7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.548 6.603 8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.153 6.669 9.351 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.409 3.989 9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.383 5.195 9.850 1.00 0.00 H new ATOM 379 N VAL A 34 2.650 7.254 6.492 1.00 0.00 N ATOM 380 CA VAL A 34 1.518 8.142 6.242 1.00 0.00 C ATOM 381 C VAL A 34 0.351 7.398 5.574 1.00 0.00 C ATOM 382 O VAL A 34 -0.773 7.902 5.542 1.00 0.00 O ATOM 383 CB VAL A 34 1.932 9.339 5.358 1.00 0.00 C ATOM 384 CG1 VAL A 34 0.804 10.356 5.270 1.00 0.00 C ATOM 385 CG2 VAL A 34 3.202 9.992 5.893 1.00 0.00 C ATOM 0 H VAL A 34 3.448 7.407 5.876 1.00 0.00 H new ATOM 0 HA VAL A 34 1.188 8.511 7.213 1.00 0.00 H new ATOM 0 HB VAL A 34 2.137 8.966 4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.115 11.191 4.643 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.078 9.885 4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.565 10.721 6.269 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.475 10.833 5.255 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.028 10.348 6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.012 9.262 5.898 1.00 0.00 H new ATOM 395 N PHE A 35 0.621 6.203 5.043 1.00 0.00 N ATOM 396 CA PHE A 35 -0.412 5.406 4.382 1.00 0.00 C ATOM 397 C PHE A 35 -0.855 4.218 5.245 1.00 0.00 C ATOM 398 O PHE A 35 -1.572 3.336 4.767 1.00 0.00 O ATOM 399 CB PHE A 35 0.100 4.902 3.028 1.00 0.00 C ATOM 400 CG PHE A 35 0.663 5.988 2.151 1.00 0.00 C ATOM 401 CD1 PHE A 35 -0.172 6.909 1.542 1.00 0.00 C ATOM 402 CD2 PHE A 35 2.030 6.085 1.937 1.00 0.00 C ATOM 403 CE1 PHE A 35 0.342 7.907 0.736 1.00 0.00 C ATOM 404 CE2 PHE A 35 2.551 7.081 1.132 1.00 0.00 C ATOM 405 CZ PHE A 35 1.705 7.993 0.531 1.00 0.00 C ATOM 0 H PHE A 35 1.544 5.768 5.058 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.278 6.050 4.231 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.870 4.149 3.198 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.717 4.409 2.501 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.239 6.847 1.699 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.695 5.374 2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.321 8.619 0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.617 7.146 0.973 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.109 8.772 -0.098 1.00 0.00 H new ATOM 415 N ILE A 36 -0.444 4.200 6.515 1.00 0.00 N ATOM 416 CA ILE A 36 -0.824 3.118 7.420 1.00 0.00 C ATOM 417 C ILE A 36 -2.269 3.289 7.889 1.00 0.00 C ATOM 418 O ILE A 36 -3.033 2.323 7.926 1.00 0.00 O ATOM 419 CB ILE A 36 0.104 3.035 8.654 1.00 0.00 C ATOM 420 CG1 ILE A 36 1.574 3.058 8.226 1.00 0.00 C ATOM 421 CG2 ILE A 36 -0.197 1.777 9.458 1.00 0.00 C ATOM 422 CD1 ILE A 36 1.986 1.868 7.384 1.00 0.00 C ATOM 0 H ILE A 36 0.147 4.917 6.936 1.00 0.00 H new ATOM 0 HA ILE A 36 -0.725 2.190 6.856 1.00 0.00 H new ATOM 0 HB ILE A 36 -0.082 3.904 9.285 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.764 3.972 7.664 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.201 3.095 9.117 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.464 1.732 10.324 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.234 1.799 9.794 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.037 0.899 8.833 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.040 1.956 7.120 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.829 0.950 7.950 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.386 1.840 6.475 1.00 0.00 H new ATOM 434 N GLN A 37 -2.638 4.524 8.237 1.00 0.00 N ATOM 435 CA GLN A 37 -3.992 4.825 8.694 1.00 0.00 C ATOM 436 C GLN A 37 -4.598 5.974 7.878 1.00 0.00 C ATOM 437 O GLN A 37 -4.161 7.121 7.987 1.00 0.00 O ATOM 438 CB GLN A 37 -3.987 5.177 10.184 1.00 0.00 C ATOM 439 CG GLN A 37 -5.286 4.831 10.896 1.00 0.00 C ATOM 440 CD GLN A 37 -5.283 5.237 12.359 1.00 0.00 C ATOM 441 OE1 GLN A 37 -4.319 4.984 13.083 1.00 0.00 O ATOM 442 NE2 GLN A 37 -6.365 5.866 12.803 1.00 0.00 N ATOM 0 H GLN A 37 -2.015 5.331 8.210 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.607 3.937 8.547 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.165 4.652 10.670 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.794 6.244 10.296 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.115 5.324 10.389 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -5.460 3.758 10.822 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.141 6.056 12.169 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.420 6.160 13.778 1.00 0.00 H new ATOM 451 N LEU A 38 -5.601 5.653 7.059 1.00 0.00 N ATOM 452 CA LEU A 38 -6.269 6.649 6.218 1.00 0.00 C ATOM 453 C LEU A 38 -7.641 7.021 6.785 1.00 0.00 C ATOM 454 O LEU A 38 -8.357 6.160 7.299 1.00 0.00 O ATOM 455 CB LEU A 38 -6.420 6.120 4.787 1.00 0.00 C ATOM 456 CG LEU A 38 -5.457 6.731 3.764 1.00 0.00 C ATOM 457 CD1 LEU A 38 -4.742 5.639 2.980 1.00 0.00 C ATOM 458 CD2 LEU A 38 -6.202 7.666 2.822 1.00 0.00 C ATOM 0 H LEU A 38 -5.970 4.707 6.960 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.650 7.546 6.205 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.276 5.040 4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.442 6.302 4.455 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.708 7.311 4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.063 6.094 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.175 5.010 3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.476 5.030 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.502 8.091 2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.974 7.109 2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.664 8.469 3.396 1.00 0.00 H new ATOM 470 N PRO A 39 -8.027 8.315 6.696 1.00 0.00 N ATOM 471 CA PRO A 39 -9.322 8.798 7.202 1.00 0.00 C ATOM 472 C PRO A 39 -10.511 8.071 6.571 1.00 0.00 C ATOM 473 O PRO A 39 -10.344 7.257 5.660 1.00 0.00 O ATOM 474 CB PRO A 39 -9.339 10.281 6.808 1.00 0.00 C ATOM 475 CG PRO A 39 -7.910 10.646 6.602 1.00 0.00 C ATOM 476 CD PRO A 39 -7.233 9.404 6.096 1.00 0.00 C ATOM 0 HA PRO A 39 -9.419 8.625 8.274 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.921 10.441 5.900 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.793 10.891 7.589 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.815 11.461 5.885 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -7.456 10.986 7.533 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.243 9.356 5.007 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -6.189 9.360 6.408 1.00 0.00 H new ATOM 484 N SER A 40 -11.712 8.373 7.065 1.00 0.00 N ATOM 485 CA SER A 40 -12.934 7.749 6.559 1.00 0.00 C ATOM 486 C SER A 40 -13.566 8.574 5.437 1.00 0.00 C ATOM 487 O SER A 40 -13.229 9.743 5.242 1.00 0.00 O ATOM 488 CB SER A 40 -13.942 7.561 7.696 1.00 0.00 C ATOM 489 OG SER A 40 -14.984 6.680 7.312 1.00 0.00 O ATOM 0 H SER A 40 -11.864 9.047 7.816 1.00 0.00 H new ATOM 0 HA SER A 40 -12.662 6.776 6.150 1.00 0.00 H new ATOM 0 HB2 SER A 40 -13.434 7.167 8.576 1.00 0.00 H new ATOM 0 HB3 SER A 40 -14.363 8.527 7.977 1.00 0.00 H new ATOM 0 HG SER A 40 -15.614 6.575 8.055 1.00 0.00 H new ATOM 495 N ARG A 41 -14.495 7.950 4.709 1.00 0.00 N ATOM 496 CA ARG A 41 -15.195 8.611 3.606 1.00 0.00 C ATOM 497 C ARG A 41 -15.899 9.878 4.091 1.00 0.00 C ATOM 498 O ARG A 41 -15.836 10.922 3.439 1.00 0.00 O ATOM 499 CB ARG A 41 -16.212 7.653 2.976 1.00 0.00 C ATOM 500 CG ARG A 41 -16.816 8.161 1.676 1.00 0.00 C ATOM 501 CD ARG A 41 -18.033 9.041 1.927 1.00 0.00 C ATOM 502 NE ARG A 41 -19.047 8.889 0.884 1.00 0.00 N ATOM 503 CZ ARG A 41 -19.892 7.857 0.805 1.00 0.00 C ATOM 504 NH1 ARG A 41 -19.834 6.864 1.691 1.00 0.00 N ATOM 505 NH2 ARG A 41 -20.795 7.814 -0.169 1.00 0.00 N ATOM 0 H ARG A 41 -14.781 6.983 4.865 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.458 8.893 2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -15.726 6.695 2.789 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -17.014 7.470 3.691 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -16.066 8.726 1.123 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -17.102 7.314 1.052 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -18.468 8.790 2.894 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -17.721 10.084 1.979 1.00 0.00 H new ATOM 0 HE ARG A 41 -19.113 9.617 0.172 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -19.140 6.887 2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -20.484 6.081 1.622 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -20.842 8.568 -0.854 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -21.441 7.027 -0.231 1.00 0.00 H new ATOM 519 N LYS A 42 -16.561 9.778 5.245 1.00 0.00 N ATOM 520 CA LYS A 42 -17.271 10.915 5.827 1.00 0.00 C ATOM 521 C LYS A 42 -16.289 11.948 6.381 1.00 0.00 C ATOM 522 O LYS A 42 -16.571 13.147 6.378 1.00 0.00 O ATOM 523 CB LYS A 42 -18.214 10.443 6.939 1.00 0.00 C ATOM 524 CG LYS A 42 -19.687 10.569 6.584 1.00 0.00 C ATOM 525 CD LYS A 42 -20.535 9.552 7.336 1.00 0.00 C ATOM 526 CE LYS A 42 -20.723 8.276 6.527 1.00 0.00 C ATOM 527 NZ LYS A 42 -21.907 8.354 5.627 1.00 0.00 N ATOM 0 H LYS A 42 -16.619 8.920 5.794 1.00 0.00 H new ATOM 0 HA LYS A 42 -17.858 11.385 5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.993 9.402 7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -18.016 11.021 7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -20.033 11.576 6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -19.816 10.429 5.511 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -20.061 9.314 8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -21.508 9.986 7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -19.828 8.088 5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -20.839 7.431 7.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -21.998 7.465 5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -22.765 8.507 6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -21.786 9.144 4.962 1.00 0.00 H new ATOM 541 N GLU A 43 -15.135 11.474 6.855 1.00 0.00 N ATOM 542 CA GLU A 43 -14.107 12.352 7.408 1.00 0.00 C ATOM 543 C GLU A 43 -13.529 13.259 6.325 1.00 0.00 C ATOM 544 O GLU A 43 -13.397 14.467 6.521 1.00 0.00 O ATOM 545 CB GLU A 43 -12.990 11.520 8.043 1.00 0.00 C ATOM 546 CG GLU A 43 -12.515 12.052 9.385 1.00 0.00 C ATOM 547 CD GLU A 43 -11.972 10.960 10.284 1.00 0.00 C ATOM 548 OE1 GLU A 43 -10.831 10.509 10.049 1.00 0.00 O ATOM 549 OE2 GLU A 43 -12.691 10.549 11.220 1.00 0.00 O ATOM 0 H GLU A 43 -14.890 10.484 6.866 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.567 12.977 8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.341 10.496 8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.143 11.482 7.358 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.741 12.802 9.221 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.343 12.553 9.887 1.00 0.00 H new ATOM 556 N LEU A 44 -13.189 12.667 5.180 1.00 0.00 N ATOM 557 CA LEU A 44 -12.630 13.420 4.064 1.00 0.00 C ATOM 558 C LEU A 44 -13.388 13.120 2.770 1.00 0.00 C ATOM 559 O LEU A 44 -12.939 12.321 1.945 1.00 0.00 O ATOM 560 CB LEU A 44 -11.141 13.101 3.896 1.00 0.00 C ATOM 561 CG LEU A 44 -10.202 14.307 3.993 1.00 0.00 C ATOM 562 CD1 LEU A 44 -8.752 13.866 3.848 1.00 0.00 C ATOM 563 CD2 LEU A 44 -10.559 15.349 2.940 1.00 0.00 C ATOM 0 H LEU A 44 -13.292 11.668 5.004 1.00 0.00 H new ATOM 0 HA LEU A 44 -12.737 14.482 4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.853 12.374 4.656 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.995 12.624 2.927 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.323 14.762 4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.098 14.735 3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.505 13.160 4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.613 13.386 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.881 16.198 3.024 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.468 14.909 1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.584 15.686 3.094 1.00 0.00 H new ATOM 575 N PRO A 45 -14.558 13.765 2.576 1.00 0.00 N ATOM 576 CA PRO A 45 -15.382 13.572 1.375 1.00 0.00 C ATOM 577 C PRO A 45 -14.611 13.872 0.092 1.00 0.00 C ATOM 578 O PRO A 45 -14.761 13.172 -0.909 1.00 0.00 O ATOM 579 CB PRO A 45 -16.530 14.572 1.555 1.00 0.00 C ATOM 580 CG PRO A 45 -16.582 14.836 3.019 1.00 0.00 C ATOM 581 CD PRO A 45 -15.164 14.734 3.507 1.00 0.00 C ATOM 0 HA PRO A 45 -15.716 12.539 1.276 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -16.347 15.489 0.995 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -17.473 14.161 1.194 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -16.995 15.824 3.223 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -17.222 14.112 3.524 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -14.656 15.698 3.473 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -15.117 14.385 4.539 1.00 0.00 H new ATOM 589 N GLU A 46 -13.777 14.912 0.136 1.00 0.00 N ATOM 590 CA GLU A 46 -12.973 15.303 -1.020 1.00 0.00 C ATOM 591 C GLU A 46 -12.002 14.191 -1.409 1.00 0.00 C ATOM 592 O GLU A 46 -11.804 13.916 -2.594 1.00 0.00 O ATOM 593 CB GLU A 46 -12.203 16.591 -0.719 1.00 0.00 C ATOM 594 CG GLU A 46 -12.351 17.654 -1.796 1.00 0.00 C ATOM 595 CD GLU A 46 -12.346 19.063 -1.235 1.00 0.00 C ATOM 596 OE1 GLU A 46 -11.311 19.474 -0.667 1.00 0.00 O ATOM 597 OE2 GLU A 46 -13.377 19.755 -1.361 1.00 0.00 O ATOM 0 H GLU A 46 -13.642 15.498 0.960 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.647 15.480 -1.858 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.549 16.998 0.231 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.146 16.353 -0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.539 17.551 -2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -13.281 17.487 -2.339 1.00 0.00 H new ATOM 604 N TYR A 47 -11.405 13.547 -0.406 1.00 0.00 N ATOM 605 CA TYR A 47 -10.466 12.459 -0.649 1.00 0.00 C ATOM 606 C TYR A 47 -11.161 11.306 -1.367 1.00 0.00 C ATOM 607 O TYR A 47 -10.642 10.775 -2.346 1.00 0.00 O ATOM 608 CB TYR A 47 -9.859 11.967 0.668 1.00 0.00 C ATOM 609 CG TYR A 47 -8.464 11.398 0.519 1.00 0.00 C ATOM 610 CD1 TYR A 47 -7.347 12.220 0.599 1.00 0.00 C ATOM 611 CD2 TYR A 47 -8.264 10.041 0.295 1.00 0.00 C ATOM 612 CE1 TYR A 47 -6.071 11.709 0.459 1.00 0.00 C ATOM 613 CE2 TYR A 47 -6.991 9.521 0.154 1.00 0.00 C ATOM 614 CZ TYR A 47 -5.898 10.359 0.237 1.00 0.00 C ATOM 615 OH TYR A 47 -4.630 9.845 0.095 1.00 0.00 O ATOM 0 H TYR A 47 -11.556 13.762 0.580 1.00 0.00 H new ATOM 0 HA TYR A 47 -9.664 12.836 -1.283 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.831 12.795 1.377 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -10.510 11.204 1.095 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.478 13.278 0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.117 9.382 0.230 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -5.214 12.363 0.523 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.853 8.464 -0.020 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.684 8.878 -0.054 1.00 0.00 H new ATOM 625 N TYR A 48 -12.344 10.928 -0.880 1.00 0.00 N ATOM 626 CA TYR A 48 -13.109 9.842 -1.489 1.00 0.00 C ATOM 627 C TYR A 48 -13.578 10.206 -2.903 1.00 0.00 C ATOM 628 O TYR A 48 -13.769 9.325 -3.741 1.00 0.00 O ATOM 629 CB TYR A 48 -14.312 9.469 -0.616 1.00 0.00 C ATOM 630 CG TYR A 48 -14.811 8.060 -0.856 1.00 0.00 C ATOM 631 CD1 TYR A 48 -14.103 6.963 -0.382 1.00 0.00 C ATOM 632 CD2 TYR A 48 -15.986 7.830 -1.563 1.00 0.00 C ATOM 633 CE1 TYR A 48 -14.550 5.676 -0.605 1.00 0.00 C ATOM 634 CE2 TYR A 48 -16.440 6.544 -1.788 1.00 0.00 C ATOM 635 CZ TYR A 48 -15.719 5.471 -1.307 1.00 0.00 C ATOM 636 OH TYR A 48 -16.165 4.189 -1.533 1.00 0.00 O ATOM 0 H TYR A 48 -12.791 11.356 -0.069 1.00 0.00 H new ATOM 0 HA TYR A 48 -12.446 8.980 -1.564 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -14.038 9.576 0.434 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -15.123 10.172 -0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.188 7.119 0.170 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -16.552 8.668 -1.942 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.987 4.834 -0.231 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -17.355 6.380 -2.338 1.00 0.00 H new ATOM 0 HH TYR A 48 -17.100 4.215 -1.825 1.00 0.00 H new ATOM 646 N GLU A 49 -13.768 11.503 -3.161 1.00 0.00 N ATOM 647 CA GLU A 49 -14.219 11.965 -4.476 1.00 0.00 C ATOM 648 C GLU A 49 -13.067 11.981 -5.481 1.00 0.00 C ATOM 649 O GLU A 49 -13.199 11.473 -6.595 1.00 0.00 O ATOM 650 CB GLU A 49 -14.837 13.364 -4.372 1.00 0.00 C ATOM 651 CG GLU A 49 -16.102 13.412 -3.529 1.00 0.00 C ATOM 652 CD GLU A 49 -17.321 13.845 -4.322 1.00 0.00 C ATOM 653 OE1 GLU A 49 -17.776 13.067 -5.187 1.00 0.00 O ATOM 654 OE2 GLU A 49 -17.822 14.962 -4.075 1.00 0.00 O ATOM 0 H GLU A 49 -13.617 12.248 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 49 -14.976 11.266 -4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.101 14.046 -3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.065 13.726 -5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -16.285 12.427 -3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.953 14.100 -2.697 1.00 0.00 H new ATOM 661 N LEU A 50 -11.940 12.569 -5.082 1.00 0.00 N ATOM 662 CA LEU A 50 -10.763 12.655 -5.949 1.00 0.00 C ATOM 663 C LEU A 50 -10.035 11.310 -6.041 1.00 0.00 C ATOM 664 O LEU A 50 -9.492 10.962 -7.092 1.00 0.00 O ATOM 665 CB LEU A 50 -9.808 13.738 -5.434 1.00 0.00 C ATOM 666 CG LEU A 50 -8.551 13.969 -6.279 1.00 0.00 C ATOM 667 CD1 LEU A 50 -8.915 14.493 -7.661 1.00 0.00 C ATOM 668 CD2 LEU A 50 -7.610 14.935 -5.573 1.00 0.00 C ATOM 0 H LEU A 50 -11.816 12.994 -4.163 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.103 12.920 -6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.356 14.678 -5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.500 13.474 -4.422 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.042 13.013 -6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.006 14.649 -8.242 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.550 13.768 -8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.450 15.438 -7.563 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.721 15.090 -6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.115 15.888 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.319 14.519 -4.608 1.00 0.00 H new ATOM 680 N ILE A 51 -10.023 10.563 -4.939 1.00 0.00 N ATOM 681 CA ILE A 51 -9.359 9.263 -4.894 1.00 0.00 C ATOM 682 C ILE A 51 -10.353 8.126 -5.131 1.00 0.00 C ATOM 683 O ILE A 51 -11.432 8.100 -4.535 1.00 0.00 O ATOM 684 CB ILE A 51 -8.647 9.043 -3.539 1.00 0.00 C ATOM 685 CG1 ILE A 51 -7.774 10.254 -3.188 1.00 0.00 C ATOM 686 CG2 ILE A 51 -7.812 7.770 -3.568 1.00 0.00 C ATOM 687 CD1 ILE A 51 -6.704 10.553 -4.214 1.00 0.00 C ATOM 0 H ILE A 51 -10.467 10.837 -4.063 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.615 9.258 -5.691 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.408 8.932 -2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.413 11.130 -3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.300 10.080 -2.222 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.320 7.635 -2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.458 6.915 -3.768 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.059 7.847 -4.352 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -6.128 11.422 -3.896 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -6.041 9.693 -4.309 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -7.171 10.759 -5.177 1.00 0.00 H new ATOM 699 N ARG A 52 -9.977 7.186 -5.999 1.00 0.00 N ATOM 700 CA ARG A 52 -10.831 6.042 -6.311 1.00 0.00 C ATOM 701 C ARG A 52 -10.736 4.981 -5.213 1.00 0.00 C ATOM 702 O ARG A 52 -9.959 4.030 -5.320 1.00 0.00 O ATOM 703 CB ARG A 52 -10.447 5.435 -7.667 1.00 0.00 C ATOM 704 CG ARG A 52 -10.765 6.333 -8.852 1.00 0.00 C ATOM 705 CD ARG A 52 -12.041 5.897 -9.560 1.00 0.00 C ATOM 706 NE ARG A 52 -13.243 6.384 -8.881 1.00 0.00 N ATOM 707 CZ ARG A 52 -13.705 7.633 -8.984 1.00 0.00 C ATOM 708 NH1 ARG A 52 -13.064 8.534 -9.726 1.00 0.00 N ATOM 709 NH2 ARG A 52 -14.813 7.986 -8.340 1.00 0.00 N ATOM 0 H ARG A 52 -9.087 7.195 -6.498 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.861 6.394 -6.366 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.380 5.214 -7.667 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.969 4.486 -7.791 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.871 7.363 -8.511 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.933 6.315 -9.556 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.030 6.266 -10.585 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.071 4.809 -9.613 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.759 5.729 -8.293 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.212 8.273 -10.222 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.425 9.485 -9.798 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -15.310 7.303 -7.768 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -15.166 8.940 -8.418 1.00 0.00 H new ATOM 723 N LYS A 53 -11.533 5.162 -4.158 1.00 0.00 N ATOM 724 CA LYS A 53 -11.557 4.237 -3.021 1.00 0.00 C ATOM 725 C LYS A 53 -10.200 4.202 -2.310 1.00 0.00 C ATOM 726 O LYS A 53 -9.349 3.362 -2.610 1.00 0.00 O ATOM 727 CB LYS A 53 -11.953 2.822 -3.466 1.00 0.00 C ATOM 728 CG LYS A 53 -13.115 2.782 -4.449 1.00 0.00 C ATOM 729 CD LYS A 53 -14.328 2.082 -3.854 1.00 0.00 C ATOM 730 CE LYS A 53 -15.609 2.468 -4.579 1.00 0.00 C ATOM 731 NZ LYS A 53 -15.904 3.924 -4.450 1.00 0.00 N ATOM 0 H LYS A 53 -12.176 5.948 -4.067 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.308 4.602 -2.320 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.088 2.341 -3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -12.216 2.236 -2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.385 3.798 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.806 2.266 -5.358 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.189 1.002 -3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.415 2.339 -2.798 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.522 2.207 -5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.442 1.892 -4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -16.868 4.115 -4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.829 4.206 -3.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -15.222 4.468 -5.016 1.00 0.00 H new ATOM 745 N PRO A 54 -9.980 5.126 -1.352 1.00 0.00 N ATOM 746 CA PRO A 54 -8.724 5.205 -0.594 1.00 0.00 C ATOM 747 C PRO A 54 -8.537 4.021 0.354 1.00 0.00 C ATOM 748 O PRO A 54 -9.406 3.734 1.180 1.00 0.00 O ATOM 749 CB PRO A 54 -8.866 6.508 0.198 1.00 0.00 C ATOM 750 CG PRO A 54 -10.334 6.727 0.317 1.00 0.00 C ATOM 751 CD PRO A 54 -10.940 6.166 -0.939 1.00 0.00 C ATOM 0 HA PRO A 54 -7.854 5.181 -1.250 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -8.398 6.427 1.179 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.383 7.338 -0.318 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.733 6.227 1.200 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.563 7.788 0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.930 5.748 -0.755 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.055 6.932 -1.706 1.00 0.00 H new ATOM 759 N VAL A 55 -7.399 3.339 0.227 1.00 0.00 N ATOM 760 CA VAL A 55 -7.096 2.185 1.070 1.00 0.00 C ATOM 761 C VAL A 55 -5.779 2.383 1.823 1.00 0.00 C ATOM 762 O VAL A 55 -4.855 3.021 1.318 1.00 0.00 O ATOM 763 CB VAL A 55 -7.026 0.883 0.238 1.00 0.00 C ATOM 764 CG1 VAL A 55 -5.931 0.967 -0.820 1.00 0.00 C ATOM 765 CG2 VAL A 55 -6.819 -0.329 1.139 1.00 0.00 C ATOM 0 H VAL A 55 -6.672 3.566 -0.452 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.907 2.095 1.793 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.980 0.763 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.904 0.038 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.138 1.800 -1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.967 1.123 -0.335 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.773 -1.232 0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.886 -0.216 1.692 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.649 -0.407 1.841 1.00 0.00 H new ATOM 775 N ASP A 56 -5.707 1.829 3.032 1.00 0.00 N ATOM 776 CA ASP A 56 -4.509 1.936 3.863 1.00 0.00 C ATOM 777 C ASP A 56 -3.915 0.556 4.143 1.00 0.00 C ATOM 778 O ASP A 56 -4.561 -0.468 3.908 1.00 0.00 O ATOM 779 CB ASP A 56 -4.828 2.647 5.188 1.00 0.00 C ATOM 780 CG ASP A 56 -6.217 2.333 5.726 1.00 0.00 C ATOM 781 OD1 ASP A 56 -6.661 1.173 5.603 1.00 0.00 O ATOM 782 OD2 ASP A 56 -6.859 3.250 6.277 1.00 0.00 O ATOM 0 H ASP A 56 -6.467 1.300 3.459 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.775 2.527 3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.085 2.361 5.933 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.737 3.724 5.045 1.00 0.00 H new ATOM 787 N PHE A 57 -2.679 0.537 4.645 1.00 0.00 N ATOM 788 CA PHE A 57 -1.993 -0.718 4.955 1.00 0.00 C ATOM 789 C PHE A 57 -2.734 -1.511 6.031 1.00 0.00 C ATOM 790 O PHE A 57 -2.735 -2.742 6.010 1.00 0.00 O ATOM 791 CB PHE A 57 -0.550 -0.450 5.403 1.00 0.00 C ATOM 792 CG PHE A 57 0.407 -0.230 4.263 1.00 0.00 C ATOM 793 CD1 PHE A 57 0.400 0.961 3.552 1.00 0.00 C ATOM 794 CD2 PHE A 57 1.314 -1.216 3.900 1.00 0.00 C ATOM 795 CE1 PHE A 57 1.277 1.164 2.504 1.00 0.00 C ATOM 796 CE2 PHE A 57 2.194 -1.017 2.852 1.00 0.00 C ATOM 797 CZ PHE A 57 2.175 0.175 2.153 1.00 0.00 C ATOM 0 H PHE A 57 -2.133 1.375 4.845 1.00 0.00 H new ATOM 0 HA PHE A 57 -1.978 -1.315 4.043 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.537 0.427 6.051 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.202 -1.293 6.000 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.299 1.739 3.821 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.333 -2.150 4.442 1.00 0.00 H new ATOM 0 HE1 PHE A 57 1.260 2.096 1.959 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.895 -1.792 2.580 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.861 0.333 1.334 1.00 0.00 H new ATOM 807 N LYS A 58 -3.365 -0.801 6.967 1.00 0.00 N ATOM 808 CA LYS A 58 -4.114 -1.442 8.050 1.00 0.00 C ATOM 809 C LYS A 58 -5.235 -2.325 7.505 1.00 0.00 C ATOM 810 O LYS A 58 -5.417 -3.455 7.955 1.00 0.00 O ATOM 811 CB LYS A 58 -4.694 -0.386 8.994 1.00 0.00 C ATOM 812 CG LYS A 58 -5.560 0.645 8.292 1.00 0.00 C ATOM 813 CD LYS A 58 -5.804 1.861 9.171 1.00 0.00 C ATOM 814 CE LYS A 58 -6.896 1.596 10.195 1.00 0.00 C ATOM 815 NZ LYS A 58 -6.338 1.152 11.505 1.00 0.00 N ATOM 0 H LYS A 58 -3.373 0.219 6.998 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.421 -2.076 8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.286 -0.883 9.762 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.876 0.124 9.502 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.078 0.956 7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.514 0.195 8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.881 2.132 9.683 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.085 2.711 8.549 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.485 2.502 10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.574 0.833 9.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.980 0.459 11.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.407 0.714 11.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.237 1.973 12.136 1.00 0.00 H new ATOM 829 N LYS A 59 -5.979 -1.802 6.531 1.00 0.00 N ATOM 830 CA LYS A 59 -7.083 -2.544 5.919 1.00 0.00 C ATOM 831 C LYS A 59 -6.566 -3.787 5.196 1.00 0.00 C ATOM 832 O LYS A 59 -7.165 -4.859 5.285 1.00 0.00 O ATOM 833 CB LYS A 59 -7.855 -1.651 4.942 1.00 0.00 C ATOM 834 CG LYS A 59 -9.240 -2.174 4.594 1.00 0.00 C ATOM 835 CD LYS A 59 -9.740 -1.597 3.279 1.00 0.00 C ATOM 836 CE LYS A 59 -9.451 -2.531 2.114 1.00 0.00 C ATOM 837 NZ LYS A 59 -9.837 -1.929 0.807 1.00 0.00 N ATOM 0 H LYS A 59 -5.838 -0.867 6.148 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.758 -2.861 6.714 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.951 -0.655 5.374 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.275 -1.546 4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -9.213 -3.262 4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.937 -1.920 5.392 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.813 -1.417 3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.265 -0.632 3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.389 -2.776 2.101 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.992 -3.466 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.487 -2.528 0.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.873 -1.859 0.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.421 -0.979 0.726 1.00 0.00 H new ATOM 851 N ILE A 60 -5.449 -3.634 4.486 1.00 0.00 N ATOM 852 CA ILE A 60 -4.848 -4.745 3.754 1.00 0.00 C ATOM 853 C ILE A 60 -4.280 -5.788 4.718 1.00 0.00 C ATOM 854 O ILE A 60 -4.481 -6.988 4.532 1.00 0.00 O ATOM 855 CB ILE A 60 -3.726 -4.261 2.805 1.00 0.00 C ATOM 856 CG1 ILE A 60 -4.227 -3.111 1.925 1.00 0.00 C ATOM 857 CG2 ILE A 60 -3.220 -5.412 1.944 1.00 0.00 C ATOM 858 CD1 ILE A 60 -3.117 -2.258 1.349 1.00 0.00 C ATOM 0 H ILE A 60 -4.943 -2.752 4.403 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.639 -5.198 3.156 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.897 -3.895 3.411 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.819 -3.522 1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.892 -2.478 2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.431 -5.053 1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.825 -6.200 2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.041 -5.808 1.347 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.548 -1.465 0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.538 -1.817 2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.465 -2.877 0.733 1.00 0.00 H new ATOM 870 N LYS A 61 -3.578 -5.317 5.752 1.00 0.00 N ATOM 871 CA LYS A 61 -2.983 -6.204 6.752 1.00 0.00 C ATOM 872 C LYS A 61 -4.062 -6.975 7.514 1.00 0.00 C ATOM 873 O LYS A 61 -3.890 -8.155 7.820 1.00 0.00 O ATOM 874 CB LYS A 61 -2.115 -5.411 7.735 1.00 0.00 C ATOM 875 CG LYS A 61 -0.729 -6.005 7.953 1.00 0.00 C ATOM 876 CD LYS A 61 -0.800 -7.409 8.537 1.00 0.00 C ATOM 877 CE LYS A 61 0.524 -8.142 8.384 1.00 0.00 C ATOM 878 NZ LYS A 61 0.838 -8.989 9.570 1.00 0.00 N ATOM 0 H LYS A 61 -3.408 -4.325 5.918 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.352 -6.920 6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.008 -4.390 7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.630 -5.353 8.694 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.192 -6.033 7.005 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.159 -5.361 8.623 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.066 -7.353 9.592 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.589 -7.972 8.039 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.490 -8.767 7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.324 -7.417 8.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.748 -9.470 9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.896 -8.390 10.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.089 -9.699 9.698 1.00 0.00 H new ATOM 892 N GLU A 62 -5.174 -6.304 7.816 1.00 0.00 N ATOM 893 CA GLU A 62 -6.274 -6.938 8.536 1.00 0.00 C ATOM 894 C GLU A 62 -6.980 -7.966 7.652 1.00 0.00 C ATOM 895 O GLU A 62 -7.321 -9.058 8.109 1.00 0.00 O ATOM 896 CB GLU A 62 -7.278 -5.888 9.023 1.00 0.00 C ATOM 897 CG GLU A 62 -6.847 -5.170 10.296 1.00 0.00 C ATOM 898 CD GLU A 62 -6.942 -6.050 11.531 1.00 0.00 C ATOM 899 OE1 GLU A 62 -7.969 -6.743 11.692 1.00 0.00 O ATOM 900 OE2 GLU A 62 -5.987 -6.044 12.336 1.00 0.00 O ATOM 0 H GLU A 62 -5.335 -5.326 7.574 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.856 -7.452 9.402 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.430 -5.151 8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.239 -6.371 9.197 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.820 -4.823 10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -7.469 -4.286 10.437 1.00 0.00 H new ATOM 907 N ARG A 63 -7.195 -7.611 6.385 1.00 0.00 N ATOM 908 CA ARG A 63 -7.862 -8.504 5.440 1.00 0.00 C ATOM 909 C ARG A 63 -7.020 -9.753 5.163 1.00 0.00 C ATOM 910 O ARG A 63 -7.538 -10.870 5.178 1.00 0.00 O ATOM 911 CB ARG A 63 -8.169 -7.772 4.128 1.00 0.00 C ATOM 912 CG ARG A 63 -9.377 -6.847 4.204 1.00 0.00 C ATOM 913 CD ARG A 63 -10.635 -7.592 4.632 1.00 0.00 C ATOM 914 NE ARG A 63 -11.857 -6.888 4.239 1.00 0.00 N ATOM 915 CZ ARG A 63 -13.091 -7.294 4.557 1.00 0.00 C ATOM 916 NH1 ARG A 63 -13.277 -8.400 5.273 1.00 0.00 N ATOM 917 NH2 ARG A 63 -14.144 -6.589 4.155 1.00 0.00 N ATOM 0 H ARG A 63 -6.917 -6.712 5.991 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.801 -8.822 5.894 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.295 -7.189 3.836 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -8.337 -8.509 3.343 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -9.174 -6.041 4.910 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -9.542 -6.384 3.231 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -10.633 -8.588 4.189 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.626 -7.724 5.714 1.00 0.00 H new ATOM 0 HE ARG A 63 -11.761 -6.035 3.688 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -12.474 -8.947 5.585 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -14.222 -8.701 5.510 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.010 -5.740 3.605 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.086 -6.897 4.396 1.00 0.00 H new ATOM 931 N ILE A 64 -5.721 -9.561 4.912 1.00 0.00 N ATOM 932 CA ILE A 64 -4.816 -10.682 4.633 1.00 0.00 C ATOM 933 C ILE A 64 -4.802 -11.694 5.785 1.00 0.00 C ATOM 934 O ILE A 64 -4.545 -12.880 5.570 1.00 0.00 O ATOM 935 CB ILE A 64 -3.373 -10.202 4.338 1.00 0.00 C ATOM 936 CG1 ILE A 64 -2.492 -11.378 3.904 1.00 0.00 C ATOM 937 CG2 ILE A 64 -2.770 -9.503 5.549 1.00 0.00 C ATOM 938 CD1 ILE A 64 -1.157 -10.957 3.325 1.00 0.00 C ATOM 0 H ILE A 64 -5.274 -8.644 4.896 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.201 -11.174 3.740 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.419 -9.482 3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.317 -12.026 4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.030 -11.969 3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.757 -9.177 5.314 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.379 -8.637 5.810 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.742 -10.194 6.391 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.588 -11.842 3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.322 -10.334 2.446 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.599 -10.392 4.071 1.00 0.00 H new ATOM 950 N ARG A 65 -5.094 -11.227 7.003 1.00 0.00 N ATOM 951 CA ARG A 65 -5.129 -12.099 8.179 1.00 0.00 C ATOM 952 C ARG A 65 -6.111 -13.256 7.968 1.00 0.00 C ATOM 953 O ARG A 65 -5.871 -14.376 8.422 1.00 0.00 O ATOM 954 CB ARG A 65 -5.522 -11.295 9.424 1.00 0.00 C ATOM 955 CG ARG A 65 -5.305 -12.037 10.737 1.00 0.00 C ATOM 956 CD ARG A 65 -4.194 -11.406 11.565 1.00 0.00 C ATOM 957 NE ARG A 65 -4.552 -11.302 12.979 1.00 0.00 N ATOM 958 CZ ARG A 65 -4.558 -12.335 13.828 1.00 0.00 C ATOM 959 NH1 ARG A 65 -4.230 -13.556 13.411 1.00 0.00 N ATOM 960 NH2 ARG A 65 -4.895 -12.145 15.100 1.00 0.00 N ATOM 0 H ARG A 65 -5.309 -10.250 7.199 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.132 -12.515 8.326 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.946 -10.370 9.442 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.573 -11.015 9.346 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -6.231 -12.038 11.312 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -5.058 -13.078 10.530 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.286 -12.000 11.464 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.971 -10.413 11.174 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.813 -10.385 13.340 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.971 -13.710 12.436 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.237 -14.338 14.066 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.148 -11.213 15.427 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.900 -12.932 15.749 1.00 0.00 H new ATOM 974 N ASN A 66 -7.212 -12.977 7.266 1.00 0.00 N ATOM 975 CA ASN A 66 -8.228 -13.990 6.977 1.00 0.00 C ATOM 976 C ASN A 66 -7.981 -14.657 5.616 1.00 0.00 C ATOM 977 O ASN A 66 -8.852 -15.356 5.097 1.00 0.00 O ATOM 978 CB ASN A 66 -9.624 -13.360 7.004 1.00 0.00 C ATOM 979 CG ASN A 66 -10.683 -14.307 7.545 1.00 0.00 C ATOM 980 OD1 ASN A 66 -11.481 -13.831 8.497 1.00 0.00 O flip ATOM 981 ND2 ASN A 66 -10.787 -15.454 7.111 1.00 0.00 N flip ATOM 0 H ASN A 66 -7.422 -12.054 6.886 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.163 -14.758 7.748 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -9.600 -12.459 7.617 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.899 -13.052 5.995 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.156 -15.782 6.380 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.505 -16.077 7.482 1.00 0.00 H new ATOM 988 N HIS A 67 -6.792 -14.434 5.042 1.00 0.00 N ATOM 989 CA HIS A 67 -6.430 -15.007 3.745 1.00 0.00 C ATOM 990 C HIS A 67 -7.250 -14.373 2.619 1.00 0.00 C ATOM 991 O HIS A 67 -7.877 -15.073 1.818 1.00 0.00 O ATOM 992 CB HIS A 67 -6.613 -16.534 3.745 1.00 0.00 C ATOM 993 CG HIS A 67 -5.934 -17.237 4.886 1.00 0.00 C ATOM 994 ND1 HIS A 67 -5.261 -16.753 5.959 1.00 0.00 N flip ATOM 995 CD2 HIS A 67 -5.903 -18.611 5.006 1.00 0.00 C flip ATOM 996 CE1 HIS A 67 -4.842 -17.833 6.696 1.00 0.00 C flip ATOM 997 NE2 HIS A 67 -5.242 -18.941 6.102 1.00 0.00 N flip ATOM 0 H HIS A 67 -6.062 -13.857 5.461 1.00 0.00 H new ATOM 0 HA HIS A 67 -5.377 -14.789 3.569 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.679 -16.761 3.776 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -6.229 -16.934 2.807 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -6.349 -19.308 4.312 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -4.276 -17.783 7.614 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -5.070 -19.891 6.432 1.00 0.00 H new ATOM 1006 N LYS A 68 -7.237 -13.042 2.563 1.00 0.00 N ATOM 1007 CA LYS A 68 -7.973 -12.306 1.535 1.00 0.00 C ATOM 1008 C LYS A 68 -7.204 -12.294 0.215 1.00 0.00 C ATOM 1009 O LYS A 68 -7.785 -12.512 -0.849 1.00 0.00 O ATOM 1010 CB LYS A 68 -8.240 -10.869 1.993 1.00 0.00 C ATOM 1011 CG LYS A 68 -9.718 -10.521 2.073 1.00 0.00 C ATOM 1012 CD LYS A 68 -10.109 -9.495 1.019 1.00 0.00 C ATOM 1013 CE LYS A 68 -10.606 -10.162 -0.256 1.00 0.00 C ATOM 1014 NZ LYS A 68 -12.069 -10.449 -0.207 1.00 0.00 N ATOM 0 H LYS A 68 -6.725 -12.451 3.218 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.925 -12.813 1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.786 -10.718 2.973 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.750 -10.180 1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.313 -11.425 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.948 -10.131 3.065 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.887 -8.843 1.416 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.251 -8.864 0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.392 -9.517 -1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.060 -11.092 -0.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.364 -10.903 -1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.271 -11.085 0.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.593 -9.560 -0.082 1.00 0.00 H new ATOM 1028 N TYR A 69 -5.899 -12.032 0.291 1.00 0.00 N ATOM 1029 CA TYR A 69 -5.052 -11.986 -0.898 1.00 0.00 C ATOM 1030 C TYR A 69 -4.441 -13.356 -1.189 1.00 0.00 C ATOM 1031 O TYR A 69 -3.514 -13.791 -0.503 1.00 0.00 O ATOM 1032 CB TYR A 69 -3.944 -10.944 -0.723 1.00 0.00 C ATOM 1033 CG TYR A 69 -4.456 -9.523 -0.598 1.00 0.00 C ATOM 1034 CD1 TYR A 69 -4.873 -9.019 0.629 1.00 0.00 C ATOM 1035 CD2 TYR A 69 -4.522 -8.688 -1.707 1.00 0.00 C ATOM 1036 CE1 TYR A 69 -5.340 -7.723 0.746 1.00 0.00 C ATOM 1037 CE2 TYR A 69 -4.986 -7.390 -1.597 1.00 0.00 C ATOM 1038 CZ TYR A 69 -5.394 -6.914 -0.368 1.00 0.00 C ATOM 1039 OH TYR A 69 -5.859 -5.623 -0.250 1.00 0.00 O ATOM 0 H TYR A 69 -5.406 -11.848 1.165 1.00 0.00 H new ATOM 0 HA TYR A 69 -5.676 -11.702 -1.745 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -3.363 -11.191 0.166 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -3.265 -11.002 -1.574 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.831 -9.650 1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -4.206 -9.059 -2.671 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.661 -7.347 1.706 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -5.029 -6.753 -2.468 1.00 0.00 H new ATOM 0 HH TYR A 69 -5.743 -5.154 -1.103 1.00 0.00 H new ATOM 1049 N ARG A 70 -4.967 -14.028 -2.211 1.00 0.00 N ATOM 1050 CA ARG A 70 -4.476 -15.348 -2.598 1.00 0.00 C ATOM 1051 C ARG A 70 -3.870 -15.327 -4.008 1.00 0.00 C ATOM 1052 O ARG A 70 -3.890 -16.337 -4.717 1.00 0.00 O ATOM 1053 CB ARG A 70 -5.615 -16.370 -2.529 1.00 0.00 C ATOM 1054 CG ARG A 70 -5.228 -17.671 -1.846 1.00 0.00 C ATOM 1055 CD ARG A 70 -5.485 -18.870 -2.745 1.00 0.00 C ATOM 1056 NE ARG A 70 -4.261 -19.344 -3.395 1.00 0.00 N ATOM 1057 CZ ARG A 70 -4.244 -20.135 -4.470 1.00 0.00 C ATOM 1058 NH1 ARG A 70 -5.381 -20.541 -5.028 1.00 0.00 N ATOM 1059 NH2 ARG A 70 -3.085 -20.524 -4.988 1.00 0.00 N ATOM 0 H ARG A 70 -5.734 -13.679 -2.786 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.690 -15.635 -1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.457 -15.927 -1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.957 -16.589 -3.541 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.173 -17.640 -1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.794 -17.780 -0.921 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.918 -19.678 -2.156 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.218 -18.602 -3.506 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.366 -19.052 -3.002 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.275 -20.248 -4.635 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.359 -21.145 -5.849 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.209 -20.218 -4.564 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.071 -21.128 -5.809 1.00 0.00 H new ATOM 1073 N SER A 71 -3.329 -14.172 -4.404 1.00 0.00 N ATOM 1074 CA SER A 71 -2.716 -14.019 -5.721 1.00 0.00 C ATOM 1075 C SER A 71 -1.804 -12.794 -5.758 1.00 0.00 C ATOM 1076 O SER A 71 -2.035 -11.818 -5.043 1.00 0.00 O ATOM 1077 CB SER A 71 -3.794 -13.897 -6.804 1.00 0.00 C ATOM 1078 OG SER A 71 -3.269 -14.210 -8.082 1.00 0.00 O ATOM 0 H SER A 71 -3.304 -13.330 -3.829 1.00 0.00 H new ATOM 0 HA SER A 71 -2.115 -14.907 -5.916 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.623 -14.566 -6.574 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.195 -12.883 -6.810 1.00 0.00 H new ATOM 0 HG SER A 71 -3.976 -14.127 -8.755 1.00 0.00 H new ATOM 1084 N LEU A 72 -0.769 -12.853 -6.600 1.00 0.00 N ATOM 1085 CA LEU A 72 0.176 -11.745 -6.737 1.00 0.00 C ATOM 1086 C LEU A 72 -0.476 -10.556 -7.439 1.00 0.00 C ATOM 1087 O LEU A 72 -0.255 -9.407 -7.058 1.00 0.00 O ATOM 1088 CB LEU A 72 1.422 -12.190 -7.511 1.00 0.00 C ATOM 1089 CG LEU A 72 2.614 -12.618 -6.649 1.00 0.00 C ATOM 1090 CD1 LEU A 72 3.175 -11.430 -5.879 1.00 0.00 C ATOM 1091 CD2 LEU A 72 2.213 -13.732 -5.695 1.00 0.00 C ATOM 0 H LEU A 72 -0.565 -13.656 -7.196 1.00 0.00 H new ATOM 0 HA LEU A 72 0.475 -11.436 -5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.148 -13.022 -8.160 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.738 -11.372 -8.158 1.00 0.00 H new ATOM 0 HG LEU A 72 3.394 -12.997 -7.310 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.021 -11.756 -5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.505 -10.664 -6.581 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.401 -11.018 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.073 -14.022 -5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.414 -13.382 -5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.864 -14.592 -6.266 1.00 0.00 H new ATOM 1103 N ASN A 73 -1.281 -10.842 -8.467 1.00 0.00 N ATOM 1104 CA ASN A 73 -1.968 -9.792 -9.222 1.00 0.00 C ATOM 1105 C ASN A 73 -2.816 -8.911 -8.300 1.00 0.00 C ATOM 1106 O ASN A 73 -2.878 -7.694 -8.482 1.00 0.00 O ATOM 1107 CB ASN A 73 -2.856 -10.404 -10.314 1.00 0.00 C ATOM 1108 CG ASN A 73 -2.542 -9.854 -11.694 1.00 0.00 C ATOM 1109 OD1 ASN A 73 -2.251 -10.608 -12.622 1.00 0.00 O ATOM 1110 ND2 ASN A 73 -2.601 -8.533 -11.839 1.00 0.00 N ATOM 0 H ASN A 73 -1.472 -11.789 -8.794 1.00 0.00 H new ATOM 0 HA ASN A 73 -1.205 -9.170 -9.689 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.726 -11.486 -10.319 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.902 -10.210 -10.078 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.401 -8.110 -12.745 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.846 -7.943 -11.044 1.00 0.00 H new ATOM 1117 N ASP A 74 -3.463 -9.535 -7.314 1.00 0.00 N ATOM 1118 CA ASP A 74 -4.306 -8.810 -6.363 1.00 0.00 C ATOM 1119 C ASP A 74 -3.477 -7.834 -5.527 1.00 0.00 C ATOM 1120 O ASP A 74 -3.798 -6.647 -5.446 1.00 0.00 O ATOM 1121 CB ASP A 74 -5.040 -9.797 -5.444 1.00 0.00 C ATOM 1122 CG ASP A 74 -6.429 -10.148 -5.947 1.00 0.00 C ATOM 1123 OD1 ASP A 74 -6.594 -10.321 -7.173 1.00 0.00 O ATOM 1124 OD2 ASP A 74 -7.352 -10.253 -5.112 1.00 0.00 O ATOM 0 H ASP A 74 -3.419 -10.541 -7.154 1.00 0.00 H new ATOM 0 HA ASP A 74 -5.039 -8.237 -6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -4.450 -10.709 -5.353 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -5.118 -9.367 -4.445 1.00 0.00 H new ATOM 1129 N LEU A 75 -2.410 -8.343 -4.912 1.00 0.00 N ATOM 1130 CA LEU A 75 -1.530 -7.520 -4.084 1.00 0.00 C ATOM 1131 C LEU A 75 -0.831 -6.448 -4.922 1.00 0.00 C ATOM 1132 O LEU A 75 -0.758 -5.287 -4.518 1.00 0.00 O ATOM 1133 CB LEU A 75 -0.490 -8.400 -3.376 1.00 0.00 C ATOM 1134 CG LEU A 75 0.034 -7.863 -2.039 1.00 0.00 C ATOM 1135 CD1 LEU A 75 0.887 -6.620 -2.252 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -1.119 -7.565 -1.086 1.00 0.00 C ATOM 0 H LEU A 75 -2.134 -9.323 -4.972 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.142 -7.020 -3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -0.929 -9.383 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.357 -8.541 -4.047 1.00 0.00 H new ATOM 0 HG LEU A 75 0.660 -8.633 -1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.248 -6.257 -1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.737 -6.867 -2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.288 -5.845 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.724 -7.185 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.775 -6.818 -1.532 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.683 -8.479 -0.900 1.00 0.00 H new ATOM 1148 N GLU A 76 -0.322 -6.844 -6.091 1.00 0.00 N ATOM 1149 CA GLU A 76 0.366 -5.913 -6.986 1.00 0.00 C ATOM 1150 C GLU A 76 -0.552 -4.756 -7.370 1.00 0.00 C ATOM 1151 O GLU A 76 -0.164 -3.590 -7.282 1.00 0.00 O ATOM 1152 CB GLU A 76 0.843 -6.634 -8.252 1.00 0.00 C ATOM 1153 CG GLU A 76 2.070 -7.515 -8.041 1.00 0.00 C ATOM 1154 CD GLU A 76 3.283 -6.750 -7.533 1.00 0.00 C ATOM 1155 OE1 GLU A 76 3.387 -5.536 -7.810 1.00 0.00 O ATOM 1156 OE2 GLU A 76 4.131 -7.369 -6.859 1.00 0.00 O ATOM 0 H GLU A 76 -0.374 -7.802 -6.439 1.00 0.00 H new ATOM 0 HA GLU A 76 1.232 -5.516 -6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.029 -7.249 -8.636 1.00 0.00 H new ATOM 0 HB3 GLU A 76 1.069 -5.891 -9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.824 -8.304 -7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.325 -8.002 -8.982 1.00 0.00 H new ATOM 1163 N LYS A 77 -1.774 -5.087 -7.787 1.00 0.00 N ATOM 1164 CA LYS A 77 -2.755 -4.078 -8.178 1.00 0.00 C ATOM 1165 C LYS A 77 -3.034 -3.115 -7.023 1.00 0.00 C ATOM 1166 O LYS A 77 -3.222 -1.917 -7.239 1.00 0.00 O ATOM 1167 CB LYS A 77 -4.057 -4.745 -8.633 1.00 0.00 C ATOM 1168 CG LYS A 77 -5.113 -3.762 -9.120 1.00 0.00 C ATOM 1169 CD LYS A 77 -6.467 -4.015 -8.469 1.00 0.00 C ATOM 1170 CE LYS A 77 -7.417 -4.753 -9.405 1.00 0.00 C ATOM 1171 NZ LYS A 77 -8.216 -3.819 -10.251 1.00 0.00 N ATOM 0 H LYS A 77 -2.107 -6.048 -7.862 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.341 -3.509 -9.010 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.833 -5.450 -9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -4.467 -5.323 -7.805 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.790 -2.744 -8.902 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.210 -3.840 -10.203 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.329 -4.598 -7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.912 -3.064 -8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.844 -5.422 -10.047 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.092 -5.376 -8.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.847 -4.366 -10.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.784 -3.197 -9.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -7.575 -3.242 -10.832 1.00 0.00 H new ATOM 1185 N ASP A 78 -3.057 -3.646 -5.799 1.00 0.00 N ATOM 1186 CA ASP A 78 -3.313 -2.832 -4.613 1.00 0.00 C ATOM 1187 C ASP A 78 -2.183 -1.833 -4.368 1.00 0.00 C ATOM 1188 O ASP A 78 -2.435 -0.648 -4.139 1.00 0.00 O ATOM 1189 CB ASP A 78 -3.497 -3.724 -3.381 1.00 0.00 C ATOM 1190 CG ASP A 78 -4.626 -3.248 -2.488 1.00 0.00 C ATOM 1191 OD1 ASP A 78 -4.415 -2.280 -1.728 1.00 0.00 O ATOM 1192 OD2 ASP A 78 -5.722 -3.843 -2.549 1.00 0.00 O ATOM 0 H ASP A 78 -2.901 -4.635 -5.605 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.231 -2.271 -4.789 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.697 -4.746 -3.702 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -2.569 -3.746 -2.809 1.00 0.00 H new ATOM 1197 N VAL A 79 -0.938 -2.310 -4.417 1.00 0.00 N ATOM 1198 CA VAL A 79 0.220 -1.443 -4.196 1.00 0.00 C ATOM 1199 C VAL A 79 0.326 -0.378 -5.288 1.00 0.00 C ATOM 1200 O VAL A 79 0.539 0.800 -4.996 1.00 0.00 O ATOM 1201 CB VAL A 79 1.541 -2.242 -4.144 1.00 0.00 C ATOM 1202 CG1 VAL A 79 2.691 -1.336 -3.727 1.00 0.00 C ATOM 1203 CG2 VAL A 79 1.422 -3.432 -3.200 1.00 0.00 C ATOM 0 H VAL A 79 -0.707 -3.285 -4.606 1.00 0.00 H new ATOM 0 HA VAL A 79 0.065 -0.963 -3.230 1.00 0.00 H new ATOM 0 HB VAL A 79 1.748 -2.627 -5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.615 -1.913 -3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.795 -0.525 -4.447 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.488 -0.921 -2.740 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.365 -3.978 -3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.188 -3.078 -2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.627 -4.093 -3.546 1.00 0.00 H new ATOM 1213 N MET A 80 0.172 -0.799 -6.544 1.00 0.00 N ATOM 1214 CA MET A 80 0.246 0.122 -7.675 1.00 0.00 C ATOM 1215 C MET A 80 -0.894 1.143 -7.620 1.00 0.00 C ATOM 1216 O MET A 80 -0.700 2.318 -7.935 1.00 0.00 O ATOM 1217 CB MET A 80 0.203 -0.651 -9.000 1.00 0.00 C ATOM 1218 CG MET A 80 1.577 -1.054 -9.518 1.00 0.00 C ATOM 1219 SD MET A 80 2.326 -2.378 -8.549 1.00 0.00 S ATOM 1220 CE MET A 80 3.665 -2.881 -9.628 1.00 0.00 C ATOM 0 H MET A 80 -0.004 -1.770 -6.802 1.00 0.00 H new ATOM 0 HA MET A 80 1.192 0.660 -7.614 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.403 -1.547 -8.868 1.00 0.00 H new ATOM 0 HB3 MET A 80 -0.294 -0.038 -9.752 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.490 -1.374 -10.556 1.00 0.00 H new ATOM 0 HG3 MET A 80 2.234 -0.185 -9.507 1.00 0.00 H new ATOM 0 HE1 MET A 80 3.644 -3.963 -9.754 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.550 -2.400 -10.599 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.617 -2.586 -9.188 1.00 0.00 H new ATOM 1230 N LEU A 81 -2.080 0.686 -7.208 1.00 0.00 N ATOM 1231 CA LEU A 81 -3.252 1.558 -7.100 1.00 0.00 C ATOM 1232 C LEU A 81 -3.040 2.636 -6.036 1.00 0.00 C ATOM 1233 O LEU A 81 -3.419 3.791 -6.231 1.00 0.00 O ATOM 1234 CB LEU A 81 -4.501 0.734 -6.764 1.00 0.00 C ATOM 1235 CG LEU A 81 -5.793 1.539 -6.585 1.00 0.00 C ATOM 1236 CD1 LEU A 81 -6.974 0.795 -7.192 1.00 0.00 C ATOM 1237 CD2 LEU A 81 -6.042 1.829 -5.110 1.00 0.00 C ATOM 0 H LEU A 81 -2.253 -0.284 -6.944 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.394 2.048 -8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.656 0.002 -7.557 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.311 0.176 -5.847 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.682 2.489 -7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.883 1.381 -7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.798 0.640 -8.257 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.088 -0.171 -6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.963 2.401 -5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.132 0.890 -4.565 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.209 2.404 -4.706 1.00 0.00 H new ATOM 1249 N LEU A 82 -2.437 2.248 -4.912 1.00 0.00 N ATOM 1250 CA LEU A 82 -2.176 3.182 -3.818 1.00 0.00 C ATOM 1251 C LEU A 82 -1.278 4.328 -4.277 1.00 0.00 C ATOM 1252 O LEU A 82 -1.547 5.494 -3.980 1.00 0.00 O ATOM 1253 CB LEU A 82 -1.529 2.455 -2.634 1.00 0.00 C ATOM 1254 CG LEU A 82 -2.448 2.225 -1.431 1.00 0.00 C ATOM 1255 CD1 LEU A 82 -1.732 1.408 -0.365 1.00 0.00 C ATOM 1256 CD2 LEU A 82 -2.925 3.553 -0.862 1.00 0.00 C ATOM 0 H LEU A 82 -2.121 1.294 -4.736 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.132 3.599 -3.500 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.159 1.489 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.663 3.029 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.321 1.664 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.398 1.253 0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.442 0.443 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.842 1.942 -0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.577 3.370 -0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.065 4.142 -0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.475 4.100 -1.627 1.00 0.00 H new ATOM 1268 N CYS A 83 -0.210 3.993 -5.002 1.00 0.00 N ATOM 1269 CA CYS A 83 0.726 5.000 -5.502 1.00 0.00 C ATOM 1270 C CYS A 83 0.037 5.938 -6.490 1.00 0.00 C ATOM 1271 O CYS A 83 0.184 7.157 -6.404 1.00 0.00 O ATOM 1272 CB CYS A 83 1.933 4.335 -6.170 1.00 0.00 C ATOM 1273 SG CYS A 83 3.399 5.391 -6.256 1.00 0.00 S ATOM 0 H CYS A 83 0.028 3.034 -5.256 1.00 0.00 H new ATOM 0 HA CYS A 83 1.074 5.584 -4.650 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.184 3.426 -5.623 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.656 4.032 -7.180 1.00 0.00 H new ATOM 0 HG CYS A 83 3.033 6.634 -6.361 1.00 0.00 H new ATOM 1279 N GLN A 84 -0.721 5.361 -7.423 1.00 0.00 N ATOM 1280 CA GLN A 84 -1.438 6.150 -8.423 1.00 0.00 C ATOM 1281 C GLN A 84 -2.451 7.080 -7.756 1.00 0.00 C ATOM 1282 O GLN A 84 -2.560 8.253 -8.119 1.00 0.00 O ATOM 1283 CB GLN A 84 -2.151 5.235 -9.421 1.00 0.00 C ATOM 1284 CG GLN A 84 -1.573 5.300 -10.826 1.00 0.00 C ATOM 1285 CD GLN A 84 -1.610 3.963 -11.544 1.00 0.00 C ATOM 1286 OE1 GLN A 84 -2.223 3.005 -11.073 1.00 0.00 O ATOM 1287 NE2 GLN A 84 -0.950 3.892 -12.695 1.00 0.00 N ATOM 0 H GLN A 84 -0.854 4.353 -7.506 1.00 0.00 H new ATOM 0 HA GLN A 84 -0.707 6.756 -8.959 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.097 4.207 -9.062 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -3.207 5.504 -9.458 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -2.129 6.035 -11.408 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -0.542 5.650 -10.773 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -0.455 4.710 -13.050 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -0.939 3.020 -13.223 1.00 0.00 H new ATOM 1296 N ASN A 85 -3.186 6.550 -6.779 1.00 0.00 N ATOM 1297 CA ASN A 85 -4.186 7.335 -6.060 1.00 0.00 C ATOM 1298 C ASN A 85 -3.525 8.462 -5.267 1.00 0.00 C ATOM 1299 O ASN A 85 -4.032 9.583 -5.232 1.00 0.00 O ATOM 1300 CB ASN A 85 -5.002 6.435 -5.123 1.00 0.00 C ATOM 1301 CG ASN A 85 -6.108 5.689 -5.853 1.00 0.00 C ATOM 1302 OD1 ASN A 85 -6.113 5.605 -7.080 1.00 0.00 O ATOM 1303 ND2 ASN A 85 -7.056 5.140 -5.098 1.00 0.00 N ATOM 0 H ASN A 85 -3.107 5.582 -6.468 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.859 7.780 -6.793 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.337 5.716 -4.644 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -5.439 7.042 -4.330 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -7.822 4.627 -5.534 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -7.016 5.232 -4.083 1.00 0.00 H new ATOM 1310 N ALA A 86 -2.386 8.161 -4.642 1.00 0.00 N ATOM 1311 CA ALA A 86 -1.653 9.155 -3.859 1.00 0.00 C ATOM 1312 C ALA A 86 -1.143 10.289 -4.747 1.00 0.00 C ATOM 1313 O ALA A 86 -1.254 11.462 -4.391 1.00 0.00 O ATOM 1314 CB ALA A 86 -0.494 8.504 -3.119 1.00 0.00 C ATOM 0 H ALA A 86 -1.952 7.238 -4.663 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.342 9.579 -3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.039 9.259 -2.542 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -0.877 7.737 -2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.187 8.049 -3.838 1.00 0.00 H new ATOM 1320 N GLN A 87 -0.587 9.930 -5.905 1.00 0.00 N ATOM 1321 CA GLN A 87 -0.063 10.919 -6.847 1.00 0.00 C ATOM 1322 C GLN A 87 -1.179 11.810 -7.397 1.00 0.00 C ATOM 1323 O GLN A 87 -0.938 12.965 -7.749 1.00 0.00 O ATOM 1324 CB GLN A 87 0.672 10.229 -7.999 1.00 0.00 C ATOM 1325 CG GLN A 87 2.099 9.833 -7.654 1.00 0.00 C ATOM 1326 CD GLN A 87 3.039 9.928 -8.842 1.00 0.00 C ATOM 1327 OE1 GLN A 87 2.639 9.705 -9.985 1.00 0.00 O ATOM 1328 NE2 GLN A 87 4.300 10.256 -8.578 1.00 0.00 N ATOM 0 H GLN A 87 -0.488 8.963 -6.213 1.00 0.00 H new ATOM 0 HA GLN A 87 0.641 11.550 -6.305 1.00 0.00 H new ATOM 0 HB2 GLN A 87 0.117 9.338 -8.293 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.686 10.895 -8.862 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.466 10.475 -6.854 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.106 8.812 -7.272 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.590 10.433 -7.616 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.977 10.331 -9.337 1.00 0.00 H new ATOM 1337 N THR A 88 -2.397 11.273 -7.470 1.00 0.00 N ATOM 1338 CA THR A 88 -3.540 12.034 -7.976 1.00 0.00 C ATOM 1339 C THR A 88 -3.988 13.102 -6.970 1.00 0.00 C ATOM 1340 O THR A 88 -4.561 14.122 -7.356 1.00 0.00 O ATOM 1341 CB THR A 88 -4.707 11.095 -8.298 1.00 0.00 C ATOM 1342 OG1 THR A 88 -4.310 10.099 -9.224 1.00 0.00 O ATOM 1343 CG2 THR A 88 -5.906 11.810 -8.882 1.00 0.00 C ATOM 0 H THR A 88 -2.617 10.318 -7.187 1.00 0.00 H new ATOM 0 HA THR A 88 -3.225 12.538 -8.890 1.00 0.00 H new ATOM 0 HB THR A 88 -4.994 10.655 -7.343 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.693 9.474 -8.788 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.696 11.088 -9.087 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.269 12.553 -8.171 1.00 0.00 H new ATOM 0 HG23 THR A 88 -5.618 12.306 -9.809 1.00 0.00 H new ATOM 1351 N PHE A 89 -3.726 12.865 -5.683 1.00 0.00 N ATOM 1352 CA PHE A 89 -4.105 13.810 -4.633 1.00 0.00 C ATOM 1353 C PHE A 89 -2.994 14.831 -4.387 1.00 0.00 C ATOM 1354 O PHE A 89 -3.262 16.018 -4.199 1.00 0.00 O ATOM 1355 CB PHE A 89 -4.421 13.060 -3.334 1.00 0.00 C ATOM 1356 CG PHE A 89 -5.212 13.871 -2.345 1.00 0.00 C ATOM 1357 CD1 PHE A 89 -6.598 13.886 -2.389 1.00 0.00 C ATOM 1358 CD2 PHE A 89 -4.570 14.620 -1.371 1.00 0.00 C ATOM 1359 CE1 PHE A 89 -7.326 14.632 -1.482 1.00 0.00 C ATOM 1360 CE2 PHE A 89 -5.293 15.367 -0.461 1.00 0.00 C ATOM 1361 CZ PHE A 89 -6.672 15.374 -0.517 1.00 0.00 C ATOM 0 H PHE A 89 -3.253 12.027 -5.344 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.995 14.344 -4.965 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.977 12.154 -3.574 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.486 12.747 -2.869 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.114 13.308 -3.141 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -3.491 14.620 -1.323 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.405 14.635 -1.527 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.780 15.945 0.293 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.239 15.959 0.192 1.00 0.00 H new ATOM 1371 N ASN A 90 -1.749 14.356 -4.379 1.00 0.00 N ATOM 1372 CA ASN A 90 -0.594 15.219 -4.146 1.00 0.00 C ATOM 1373 C ASN A 90 -0.048 15.793 -5.459 1.00 0.00 C ATOM 1374 O ASN A 90 -0.210 15.191 -6.522 1.00 0.00 O ATOM 1375 CB ASN A 90 0.497 14.434 -3.415 1.00 0.00 C ATOM 1376 CG ASN A 90 1.597 15.327 -2.880 1.00 0.00 C ATOM 1377 OD1 ASN A 90 1.438 15.980 -1.849 1.00 0.00 O ATOM 1378 ND2 ASN A 90 2.723 15.358 -3.580 1.00 0.00 N ATOM 0 H ASN A 90 -1.515 13.375 -4.532 1.00 0.00 H new ATOM 0 HA ASN A 90 -0.914 16.058 -3.528 1.00 0.00 H new ATOM 0 HB2 ASN A 90 0.050 13.880 -2.590 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.929 13.700 -4.095 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.501 15.940 -3.269 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.811 14.800 -4.429 1.00 0.00 H new ATOM 1385 N LEU A 91 0.597 16.959 -5.374 1.00 0.00 N ATOM 1386 CA LEU A 91 1.167 17.619 -6.553 1.00 0.00 C ATOM 1387 C LEU A 91 2.698 17.621 -6.502 1.00 0.00 C ATOM 1388 O LEU A 91 3.297 17.085 -5.568 1.00 0.00 O ATOM 1389 CB LEU A 91 0.644 19.057 -6.657 1.00 0.00 C ATOM 1390 CG LEU A 91 -0.555 19.246 -7.590 1.00 0.00 C ATOM 1391 CD1 LEU A 91 -1.227 20.586 -7.334 1.00 0.00 C ATOM 1392 CD2 LEU A 91 -0.122 19.135 -9.046 1.00 0.00 C ATOM 0 H LEU A 91 0.738 17.467 -4.501 1.00 0.00 H new ATOM 0 HA LEU A 91 0.858 17.059 -7.435 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.366 19.399 -5.660 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.456 19.699 -7.000 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.277 18.456 -7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.077 20.701 -8.007 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.574 20.628 -6.301 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.513 21.391 -7.510 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.987 19.272 -9.694 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.620 19.903 -9.264 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.311 18.151 -9.223 1.00 0.00 H new ATOM 1404 N GLU A 92 3.325 18.226 -7.514 1.00 0.00 N ATOM 1405 CA GLU A 92 4.780 18.294 -7.583 1.00 0.00 C ATOM 1406 C GLU A 92 5.338 19.173 -6.468 1.00 0.00 C ATOM 1407 O GLU A 92 4.889 20.303 -6.266 1.00 0.00 O ATOM 1408 CB GLU A 92 5.227 18.837 -8.947 1.00 0.00 C ATOM 1409 CG GLU A 92 5.049 17.846 -10.087 1.00 0.00 C ATOM 1410 CD GLU A 92 6.115 17.985 -11.157 1.00 0.00 C ATOM 1411 OE1 GLU A 92 7.312 17.846 -10.827 1.00 0.00 O ATOM 1412 OE2 GLU A 92 5.753 18.233 -12.327 1.00 0.00 O ATOM 0 H GLU A 92 2.845 18.674 -8.294 1.00 0.00 H new ATOM 0 HA GLU A 92 5.170 17.284 -7.457 1.00 0.00 H new ATOM 0 HB2 GLU A 92 4.661 19.741 -9.171 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.277 19.124 -8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 92 5.071 16.832 -9.688 1.00 0.00 H new ATOM 0 HG3 GLU A 92 4.067 17.990 -10.538 1.00 0.00 H new ATOM 1419 N GLY A 93 6.325 18.643 -5.754 1.00 0.00 N ATOM 1420 CA GLY A 93 6.948 19.377 -4.666 1.00 0.00 C ATOM 1421 C GLY A 93 6.228 19.197 -3.342 1.00 0.00 C ATOM 1422 O GLY A 93 5.483 20.076 -2.911 1.00 0.00 O ATOM 0 H GLY A 93 6.708 17.711 -5.911 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.982 19.049 -4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 93 6.974 20.437 -4.918 1.00 0.00 H new ATOM 1426 N SER A 94 6.460 18.053 -2.694 1.00 0.00 N ATOM 1427 CA SER A 94 5.833 17.756 -1.406 1.00 0.00 C ATOM 1428 C SER A 94 6.387 16.463 -0.804 1.00 0.00 C ATOM 1429 O SER A 94 6.978 15.643 -1.509 1.00 0.00 O ATOM 1430 CB SER A 94 4.315 17.645 -1.563 1.00 0.00 C ATOM 1431 OG SER A 94 3.642 18.354 -0.537 1.00 0.00 O ATOM 0 H SER A 94 7.077 17.318 -3.041 1.00 0.00 H new ATOM 0 HA SER A 94 6.065 18.578 -0.728 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.017 18.037 -2.536 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.020 16.596 -1.538 1.00 0.00 H new ATOM 0 HG SER A 94 2.674 18.269 -0.661 1.00 0.00 H new ATOM 1437 N LEU A 95 6.182 16.288 0.505 1.00 0.00 N ATOM 1438 CA LEU A 95 6.649 15.091 1.210 1.00 0.00 C ATOM 1439 C LEU A 95 6.054 13.831 0.587 1.00 0.00 C ATOM 1440 O LEU A 95 6.763 12.850 0.351 1.00 0.00 O ATOM 1441 CB LEU A 95 6.273 15.169 2.698 1.00 0.00 C ATOM 1442 CG LEU A 95 7.245 14.480 3.668 1.00 0.00 C ATOM 1443 CD1 LEU A 95 7.383 12.999 3.341 1.00 0.00 C ATOM 1444 CD2 LEU A 95 8.606 15.163 3.646 1.00 0.00 C ATOM 0 H LEU A 95 5.696 16.961 1.098 1.00 0.00 H new ATOM 0 HA LEU A 95 7.734 15.043 1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.192 16.219 2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.285 14.727 2.828 1.00 0.00 H new ATOM 0 HG LEU A 95 6.834 14.568 4.674 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.076 12.535 4.042 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.409 12.516 3.421 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.763 12.884 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 95 9.278 14.658 4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 95 9.021 15.114 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.495 16.206 3.943 1.00 0.00 H new ATOM 1456 N ILE A 96 4.748 13.867 0.316 1.00 0.00 N ATOM 1457 CA ILE A 96 4.052 12.733 -0.286 1.00 0.00 C ATOM 1458 C ILE A 96 4.648 12.380 -1.651 1.00 0.00 C ATOM 1459 O ILE A 96 4.828 11.203 -1.969 1.00 0.00 O ATOM 1460 CB ILE A 96 2.538 13.007 -0.457 1.00 0.00 C ATOM 1461 CG1 ILE A 96 1.922 13.517 0.851 1.00 0.00 C ATOM 1462 CG2 ILE A 96 1.818 11.748 -0.924 1.00 0.00 C ATOM 1463 CD1 ILE A 96 0.440 13.817 0.740 1.00 0.00 C ATOM 0 H ILE A 96 4.151 14.672 0.505 1.00 0.00 H new ATOM 0 HA ILE A 96 4.182 11.895 0.398 1.00 0.00 H new ATOM 0 HB ILE A 96 2.418 13.781 -1.215 1.00 0.00 H new ATOM 0 HG12 ILE A 96 2.077 12.773 1.632 1.00 0.00 H new ATOM 0 HG13 ILE A 96 2.446 14.420 1.163 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.755 11.958 -1.039 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.230 11.427 -1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.954 10.957 -0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.068 14.174 1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 96 0.280 14.583 -0.018 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -0.095 12.910 0.458 1.00 0.00 H new ATOM 1475 N TYR A 97 4.957 13.403 -2.454 1.00 0.00 N ATOM 1476 CA TYR A 97 5.533 13.188 -3.784 1.00 0.00 C ATOM 1477 C TYR A 97 6.858 12.436 -3.684 1.00 0.00 C ATOM 1478 O TYR A 97 7.079 11.461 -4.404 1.00 0.00 O ATOM 1479 CB TYR A 97 5.744 14.520 -4.511 1.00 0.00 C ATOM 1480 CG TYR A 97 5.526 14.440 -6.009 1.00 0.00 C ATOM 1481 CD1 TYR A 97 4.322 13.980 -6.534 1.00 0.00 C ATOM 1482 CD2 TYR A 97 6.522 14.828 -6.898 1.00 0.00 C ATOM 1483 CE1 TYR A 97 4.119 13.910 -7.899 1.00 0.00 C ATOM 1484 CE2 TYR A 97 6.325 14.760 -8.265 1.00 0.00 C ATOM 1485 CZ TYR A 97 5.122 14.301 -8.760 1.00 0.00 C ATOM 1486 OH TYR A 97 4.921 14.236 -10.120 1.00 0.00 O ATOM 0 H TYR A 97 4.819 14.383 -2.208 1.00 0.00 H new ATOM 0 HA TYR A 97 4.829 12.586 -4.358 1.00 0.00 H new ATOM 0 HB2 TYR A 97 5.064 15.263 -4.093 1.00 0.00 H new ATOM 0 HB3 TYR A 97 6.758 14.872 -4.319 1.00 0.00 H new ATOM 0 HD1 TYR A 97 3.533 13.673 -5.863 1.00 0.00 H new ATOM 0 HD2 TYR A 97 7.465 15.188 -6.515 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.179 13.550 -8.290 1.00 0.00 H new ATOM 0 HE2 TYR A 97 7.109 15.065 -8.942 1.00 0.00 H new ATOM 0 HH TYR A 97 5.725 14.549 -10.585 1.00 0.00 H new ATOM 1496 N GLU A 98 7.731 12.890 -2.783 1.00 0.00 N ATOM 1497 CA GLU A 98 9.031 12.251 -2.587 1.00 0.00 C ATOM 1498 C GLU A 98 8.856 10.801 -2.142 1.00 0.00 C ATOM 1499 O GLU A 98 9.549 9.908 -2.631 1.00 0.00 O ATOM 1500 CB GLU A 98 9.858 13.016 -1.548 1.00 0.00 C ATOM 1501 CG GLU A 98 11.242 13.404 -2.045 1.00 0.00 C ATOM 1502 CD GLU A 98 12.048 14.177 -1.016 1.00 0.00 C ATOM 1503 OE1 GLU A 98 12.110 13.736 0.151 1.00 0.00 O ATOM 1504 OE2 GLU A 98 12.622 15.224 -1.382 1.00 0.00 O ATOM 0 H GLU A 98 7.561 13.695 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 98 9.561 12.266 -3.540 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.319 13.917 -1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.960 12.403 -0.653 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.788 12.502 -2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.142 14.007 -2.947 1.00 0.00 H new ATOM 1511 N ASP A 99 7.921 10.579 -1.217 1.00 0.00 N ATOM 1512 CA ASP A 99 7.644 9.240 -0.704 1.00 0.00 C ATOM 1513 C ASP A 99 7.246 8.297 -1.836 1.00 0.00 C ATOM 1514 O ASP A 99 7.719 7.161 -1.898 1.00 0.00 O ATOM 1515 CB ASP A 99 6.533 9.291 0.352 1.00 0.00 C ATOM 1516 CG ASP A 99 7.004 9.840 1.690 1.00 0.00 C ATOM 1517 OD1 ASP A 99 8.169 10.283 1.784 1.00 0.00 O ATOM 1518 OD2 ASP A 99 6.203 9.827 2.647 1.00 0.00 O ATOM 0 H ASP A 99 7.342 11.313 -0.808 1.00 0.00 H new ATOM 0 HA ASP A 99 8.555 8.860 -0.241 1.00 0.00 H new ATOM 0 HB2 ASP A 99 5.715 9.909 -0.020 1.00 0.00 H new ATOM 0 HB3 ASP A 99 6.133 8.288 0.499 1.00 0.00 H new ATOM 1523 N SER A 100 6.383 8.776 -2.735 1.00 0.00 N ATOM 1524 CA SER A 100 5.934 7.973 -3.872 1.00 0.00 C ATOM 1525 C SER A 100 7.120 7.566 -4.744 1.00 0.00 C ATOM 1526 O SER A 100 7.190 6.431 -5.216 1.00 0.00 O ATOM 1527 CB SER A 100 4.911 8.741 -4.713 1.00 0.00 C ATOM 1528 OG SER A 100 3.935 9.363 -3.895 1.00 0.00 O ATOM 0 H SER A 100 5.983 9.713 -2.697 1.00 0.00 H new ATOM 0 HA SER A 100 5.458 7.074 -3.479 1.00 0.00 H new ATOM 0 HB2 SER A 100 5.422 9.496 -5.311 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.424 8.059 -5.409 1.00 0.00 H new ATOM 0 HG SER A 100 4.351 10.088 -3.383 1.00 0.00 H new ATOM 1534 N ILE A 101 8.056 8.497 -4.948 1.00 0.00 N ATOM 1535 CA ILE A 101 9.240 8.224 -5.760 1.00 0.00 C ATOM 1536 C ILE A 101 10.131 7.184 -5.087 1.00 0.00 C ATOM 1537 O ILE A 101 10.559 6.219 -5.723 1.00 0.00 O ATOM 1538 CB ILE A 101 10.065 9.504 -6.027 1.00 0.00 C ATOM 1539 CG1 ILE A 101 9.171 10.615 -6.587 1.00 0.00 C ATOM 1540 CG2 ILE A 101 11.209 9.205 -6.989 1.00 0.00 C ATOM 1541 CD1 ILE A 101 9.648 12.011 -6.245 1.00 0.00 C ATOM 0 H ILE A 101 8.016 9.441 -4.563 1.00 0.00 H new ATOM 0 HA ILE A 101 8.884 7.838 -6.715 1.00 0.00 H new ATOM 0 HB ILE A 101 10.486 9.847 -5.082 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.118 10.514 -7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 101 8.159 10.482 -6.204 1.00 0.00 H new ATOM 0 HG21 ILE A 101 11.781 10.115 -7.168 1.00 0.00 H new ATOM 0 HG22 ILE A 101 11.860 8.446 -6.555 1.00 0.00 H new ATOM 0 HG23 ILE A 101 10.805 8.839 -7.933 1.00 0.00 H new ATOM 0 HD11 ILE A 101 8.966 12.744 -6.675 1.00 0.00 H new ATOM 0 HD12 ILE A 101 9.675 12.131 -5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.648 12.164 -6.652 1.00 0.00 H new ATOM 1553 N VAL A 102 10.403 7.378 -3.796 1.00 0.00 N ATOM 1554 CA VAL A 102 11.240 6.446 -3.044 1.00 0.00 C ATOM 1555 C VAL A 102 10.603 5.059 -3.000 1.00 0.00 C ATOM 1556 O VAL A 102 11.270 4.056 -3.264 1.00 0.00 O ATOM 1557 CB VAL A 102 11.497 6.934 -1.600 1.00 0.00 C ATOM 1558 CG1 VAL A 102 12.511 6.034 -0.906 1.00 0.00 C ATOM 1559 CG2 VAL A 102 11.970 8.383 -1.591 1.00 0.00 C ATOM 0 H VAL A 102 10.057 8.169 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 102 12.196 6.393 -3.564 1.00 0.00 H new ATOM 0 HB VAL A 102 10.557 6.883 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 102 12.680 6.392 0.110 1.00 0.00 H new ATOM 0 HG12 VAL A 102 12.129 5.014 -0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 102 13.451 6.051 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 102 12.144 8.703 -0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 102 12.897 8.467 -2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 102 11.208 9.017 -2.044 1.00 0.00 H new ATOM 1569 N LEU A 103 9.311 5.006 -2.672 1.00 0.00 N ATOM 1570 CA LEU A 103 8.587 3.738 -2.604 1.00 0.00 C ATOM 1571 C LEU A 103 8.572 3.040 -3.964 1.00 0.00 C ATOM 1572 O LEU A 103 8.733 1.824 -4.046 1.00 0.00 O ATOM 1573 CB LEU A 103 7.152 3.955 -2.114 1.00 0.00 C ATOM 1574 CG LEU A 103 6.656 2.934 -1.086 1.00 0.00 C ATOM 1575 CD1 LEU A 103 5.285 3.327 -0.558 1.00 0.00 C ATOM 1576 CD2 LEU A 103 6.615 1.537 -1.693 1.00 0.00 C ATOM 0 H LEU A 103 8.746 5.826 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 103 9.109 3.099 -1.891 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.080 4.951 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.484 3.935 -2.975 1.00 0.00 H new ATOM 0 HG LEU A 103 7.355 2.924 -0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.951 2.589 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.345 4.306 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.575 3.369 -1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.260 0.826 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.940 1.532 -2.549 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.616 1.252 -2.018 1.00 0.00 H new ATOM 1588 N GLN A 104 8.385 3.818 -5.031 1.00 0.00 N ATOM 1589 CA GLN A 104 8.361 3.262 -6.381 1.00 0.00 C ATOM 1590 C GLN A 104 9.723 2.677 -6.748 1.00 0.00 C ATOM 1591 O GLN A 104 9.804 1.580 -7.299 1.00 0.00 O ATOM 1592 CB GLN A 104 7.969 4.332 -7.402 1.00 0.00 C ATOM 1593 CG GLN A 104 6.472 4.414 -7.656 1.00 0.00 C ATOM 1594 CD GLN A 104 5.964 3.274 -8.521 1.00 0.00 C ATOM 1595 OE1 GLN A 104 6.055 3.326 -9.748 1.00 0.00 O ATOM 1596 NE2 GLN A 104 5.425 2.238 -7.887 1.00 0.00 N ATOM 0 H GLN A 104 8.249 4.828 -4.986 1.00 0.00 H new ATOM 0 HA GLN A 104 7.616 2.466 -6.400 1.00 0.00 H new ATOM 0 HB2 GLN A 104 8.323 5.302 -7.053 1.00 0.00 H new ATOM 0 HB3 GLN A 104 8.478 4.127 -8.344 1.00 0.00 H new ATOM 0 HG2 GLN A 104 5.944 4.405 -6.702 1.00 0.00 H new ATOM 0 HG3 GLN A 104 6.241 5.363 -8.139 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.370 2.236 -6.869 1.00 0.00 H new ATOM 0 HE22 GLN A 104 5.067 1.445 -8.419 1.00 0.00 H new ATOM 1605 N SER A 105 10.790 3.416 -6.434 1.00 0.00 N ATOM 1606 CA SER A 105 12.150 2.969 -6.728 1.00 0.00 C ATOM 1607 C SER A 105 12.474 1.670 -5.989 1.00 0.00 C ATOM 1608 O SER A 105 13.036 0.742 -6.570 1.00 0.00 O ATOM 1609 CB SER A 105 13.166 4.054 -6.359 1.00 0.00 C ATOM 1610 OG SER A 105 14.465 3.716 -6.814 1.00 0.00 O ATOM 0 H SER A 105 10.736 4.326 -5.976 1.00 0.00 H new ATOM 0 HA SER A 105 12.214 2.778 -7.799 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.861 5.005 -6.796 1.00 0.00 H new ATOM 0 HB3 SER A 105 13.180 4.190 -5.278 1.00 0.00 H new ATOM 0 HG SER A 105 15.093 4.426 -6.567 1.00 0.00 H new ATOM 1616 N VAL A 106 12.110 1.604 -4.706 1.00 0.00 N ATOM 1617 CA VAL A 106 12.363 0.406 -3.907 1.00 0.00 C ATOM 1618 C VAL A 106 11.466 -0.751 -4.355 1.00 0.00 C ATOM 1619 O VAL A 106 11.909 -1.898 -4.414 1.00 0.00 O ATOM 1620 CB VAL A 106 12.169 0.659 -2.393 1.00 0.00 C ATOM 1621 CG1 VAL A 106 10.746 1.096 -2.078 1.00 0.00 C ATOM 1622 CG2 VAL A 106 12.535 -0.584 -1.593 1.00 0.00 C ATOM 0 H VAL A 106 11.644 2.359 -4.203 1.00 0.00 H new ATOM 0 HA VAL A 106 13.407 0.138 -4.072 1.00 0.00 H new ATOM 0 HB VAL A 106 12.837 1.471 -2.104 1.00 0.00 H new ATOM 0 HG11 VAL A 106 10.646 1.265 -1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.522 2.019 -2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.049 0.318 -2.389 1.00 0.00 H new ATOM 0 HG21 VAL A 106 12.393 -0.388 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 106 11.897 -1.414 -1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 106 13.578 -0.842 -1.778 1.00 0.00 H new ATOM 1632 N PHE A 107 10.206 -0.441 -4.674 1.00 0.00 N ATOM 1633 CA PHE A 107 9.253 -1.456 -5.119 1.00 0.00 C ATOM 1634 C PHE A 107 9.678 -2.061 -6.458 1.00 0.00 C ATOM 1635 O PHE A 107 9.604 -3.277 -6.645 1.00 0.00 O ATOM 1636 CB PHE A 107 7.847 -0.857 -5.240 1.00 0.00 C ATOM 1637 CG PHE A 107 6.746 -1.884 -5.213 1.00 0.00 C ATOM 1638 CD1 PHE A 107 6.430 -2.551 -4.039 1.00 0.00 C ATOM 1639 CD2 PHE A 107 6.030 -2.182 -6.361 1.00 0.00 C ATOM 1640 CE1 PHE A 107 5.421 -3.495 -4.012 1.00 0.00 C ATOM 1641 CE2 PHE A 107 5.019 -3.124 -6.339 1.00 0.00 C ATOM 1642 CZ PHE A 107 4.715 -3.782 -5.163 1.00 0.00 C ATOM 0 H PHE A 107 9.825 0.504 -4.632 1.00 0.00 H new ATOM 0 HA PHE A 107 9.238 -2.249 -4.371 1.00 0.00 H new ATOM 0 HB2 PHE A 107 7.692 -0.150 -4.425 1.00 0.00 H new ATOM 0 HB3 PHE A 107 7.782 -0.292 -6.170 1.00 0.00 H new ATOM 0 HD1 PHE A 107 6.979 -2.330 -3.135 1.00 0.00 H new ATOM 0 HD2 PHE A 107 6.265 -1.672 -7.284 1.00 0.00 H new ATOM 0 HE1 PHE A 107 5.185 -4.008 -3.091 1.00 0.00 H new ATOM 0 HE2 PHE A 107 4.467 -3.346 -7.240 1.00 0.00 H new ATOM 0 HZ PHE A 107 3.926 -4.520 -5.144 1.00 0.00 H new ATOM 1652 N THR A 108 10.129 -1.211 -7.386 1.00 0.00 N ATOM 1653 CA THR A 108 10.570 -1.681 -8.700 1.00 0.00 C ATOM 1654 C THR A 108 11.759 -2.624 -8.562 1.00 0.00 C ATOM 1655 O THR A 108 11.870 -3.606 -9.297 1.00 0.00 O ATOM 1656 CB THR A 108 10.935 -0.507 -9.617 1.00 0.00 C ATOM 1657 OG1 THR A 108 11.797 0.404 -8.958 1.00 0.00 O ATOM 1658 CG2 THR A 108 9.734 0.272 -10.104 1.00 0.00 C ATOM 0 H THR A 108 10.198 -0.202 -7.252 1.00 0.00 H new ATOM 0 HA THR A 108 9.739 -2.223 -9.152 1.00 0.00 H new ATOM 0 HB THR A 108 11.427 -0.963 -10.477 1.00 0.00 H new ATOM 0 HG1 THR A 108 11.273 0.976 -8.360 1.00 0.00 H new ATOM 0 HG21 THR A 108 10.065 1.087 -10.747 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.075 -0.389 -10.667 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.194 0.681 -9.250 1.00 0.00 H new ATOM 1666 N SER A 109 12.645 -2.328 -7.608 1.00 0.00 N ATOM 1667 CA SER A 109 13.817 -3.163 -7.370 1.00 0.00 C ATOM 1668 C SER A 109 13.394 -4.552 -6.896 1.00 0.00 C ATOM 1669 O SER A 109 13.923 -5.561 -7.365 1.00 0.00 O ATOM 1670 CB SER A 109 14.745 -2.510 -6.342 1.00 0.00 C ATOM 1671 OG SER A 109 15.915 -3.287 -6.141 1.00 0.00 O ATOM 0 H SER A 109 12.571 -1.519 -6.992 1.00 0.00 H new ATOM 0 HA SER A 109 14.361 -3.266 -8.309 1.00 0.00 H new ATOM 0 HB2 SER A 109 15.022 -1.512 -6.681 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.217 -2.391 -5.396 1.00 0.00 H new ATOM 0 HG SER A 109 16.491 -2.847 -5.481 1.00 0.00 H new ATOM 1677 N VAL A 110 12.429 -4.600 -5.975 1.00 0.00 N ATOM 1678 CA VAL A 110 11.932 -5.872 -5.455 1.00 0.00 C ATOM 1679 C VAL A 110 11.241 -6.670 -6.558 1.00 0.00 C ATOM 1680 O VAL A 110 11.525 -7.851 -6.745 1.00 0.00 O ATOM 1681 CB VAL A 110 10.947 -5.678 -4.280 1.00 0.00 C ATOM 1682 CG1 VAL A 110 10.591 -7.021 -3.656 1.00 0.00 C ATOM 1683 CG2 VAL A 110 11.529 -4.734 -3.236 1.00 0.00 C ATOM 0 H VAL A 110 11.979 -3.776 -5.577 1.00 0.00 H new ATOM 0 HA VAL A 110 12.800 -6.420 -5.087 1.00 0.00 H new ATOM 0 HB VAL A 110 10.034 -5.228 -4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 110 9.897 -6.866 -2.830 1.00 0.00 H new ATOM 0 HG12 VAL A 110 10.125 -7.659 -4.407 1.00 0.00 H new ATOM 0 HG13 VAL A 110 11.496 -7.501 -3.284 1.00 0.00 H new ATOM 0 HG21 VAL A 110 10.818 -4.613 -2.419 1.00 0.00 H new ATOM 0 HG22 VAL A 110 12.460 -5.149 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 110 11.726 -3.764 -3.692 1.00 0.00 H new ATOM 1693 N ARG A 111 10.339 -6.013 -7.289 1.00 0.00 N ATOM 1694 CA ARG A 111 9.612 -6.661 -8.381 1.00 0.00 C ATOM 1695 C ARG A 111 10.575 -7.199 -9.441 1.00 0.00 C ATOM 1696 O ARG A 111 10.387 -8.302 -9.956 1.00 0.00 O ATOM 1697 CB ARG A 111 8.624 -5.680 -9.022 1.00 0.00 C ATOM 1698 CG ARG A 111 7.260 -6.289 -9.314 1.00 0.00 C ATOM 1699 CD ARG A 111 7.328 -7.300 -10.450 1.00 0.00 C ATOM 1700 NE ARG A 111 7.150 -8.674 -9.978 1.00 0.00 N ATOM 1701 CZ ARG A 111 5.960 -9.240 -9.751 1.00 0.00 C ATOM 1702 NH1 ARG A 111 4.838 -8.540 -9.899 1.00 0.00 N ATOM 1703 NH2 ARG A 111 5.893 -10.510 -9.363 1.00 0.00 N ATOM 0 H ARG A 111 10.095 -5.033 -7.145 1.00 0.00 H new ATOM 0 HA ARG A 111 9.058 -7.501 -7.962 1.00 0.00 H new ATOM 0 HB2 ARG A 111 8.496 -4.823 -8.361 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.051 -5.304 -9.952 1.00 0.00 H new ATOM 0 HG2 ARG A 111 6.878 -6.775 -8.416 1.00 0.00 H new ATOM 0 HG3 ARG A 111 6.556 -5.498 -9.572 1.00 0.00 H new ATOM 0 HD2 ARG A 111 6.559 -7.068 -11.187 1.00 0.00 H new ATOM 0 HD3 ARG A 111 8.290 -7.213 -10.955 1.00 0.00 H new ATOM 0 HE ARG A 111 7.986 -9.235 -9.812 1.00 0.00 H new ATOM 0 HH11 ARG A 111 4.881 -7.563 -10.188 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.935 -8.981 -9.723 1.00 0.00 H new ATOM 0 HH21 ARG A 111 6.749 -11.051 -9.239 1.00 0.00 H new ATOM 0 HH22 ARG A 111 4.986 -10.943 -9.189 1.00 0.00 H new ATOM 1717 N GLN A 112 11.605 -6.416 -9.765 1.00 0.00 N ATOM 1718 CA GLN A 112 12.592 -6.822 -10.763 1.00 0.00 C ATOM 1719 C GLN A 112 13.424 -8.007 -10.269 1.00 0.00 C ATOM 1720 O GLN A 112 13.611 -8.984 -10.993 1.00 0.00 O ATOM 1721 CB GLN A 112 13.512 -5.650 -11.121 1.00 0.00 C ATOM 1722 CG GLN A 112 12.894 -4.669 -12.105 1.00 0.00 C ATOM 1723 CD GLN A 112 13.795 -3.483 -12.394 1.00 0.00 C ATOM 1724 OE1 GLN A 112 14.467 -3.437 -13.425 1.00 0.00 O ATOM 1725 NE2 GLN A 112 13.816 -2.516 -11.484 1.00 0.00 N ATOM 0 H GLN A 112 11.776 -5.500 -9.351 1.00 0.00 H new ATOM 0 HA GLN A 112 12.050 -7.132 -11.656 1.00 0.00 H new ATOM 0 HB2 GLN A 112 13.779 -5.117 -10.209 1.00 0.00 H new ATOM 0 HB3 GLN A 112 14.437 -6.041 -11.544 1.00 0.00 H new ATOM 0 HG2 GLN A 112 12.673 -5.187 -13.038 1.00 0.00 H new ATOM 0 HG3 GLN A 112 11.945 -4.310 -11.707 1.00 0.00 H new ATOM 0 HE21 GLN A 112 13.243 -2.594 -10.644 1.00 0.00 H new ATOM 0 HE22 GLN A 112 14.405 -1.695 -11.626 1.00 0.00 H new ATOM 1734 N LYS A 113 13.928 -7.908 -9.038 1.00 0.00 N ATOM 1735 CA LYS A 113 14.749 -8.972 -8.456 1.00 0.00 C ATOM 1736 C LYS A 113 13.931 -10.234 -8.190 1.00 0.00 C ATOM 1737 O LYS A 113 14.354 -11.338 -8.539 1.00 0.00 O ATOM 1738 CB LYS A 113 15.407 -8.491 -7.158 1.00 0.00 C ATOM 1739 CG LYS A 113 16.869 -8.101 -7.329 1.00 0.00 C ATOM 1740 CD LYS A 113 17.233 -6.891 -6.484 1.00 0.00 C ATOM 1741 CE LYS A 113 17.557 -7.286 -5.051 1.00 0.00 C ATOM 1742 NZ LYS A 113 17.749 -6.096 -4.176 1.00 0.00 N ATOM 0 H LYS A 113 13.783 -7.105 -8.426 1.00 0.00 H new ATOM 0 HA LYS A 113 15.524 -9.221 -9.181 1.00 0.00 H new ATOM 0 HB2 LYS A 113 14.853 -7.634 -6.774 1.00 0.00 H new ATOM 0 HB3 LYS A 113 15.334 -9.279 -6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 113 17.504 -8.942 -7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 113 17.067 -7.884 -8.379 1.00 0.00 H new ATOM 0 HD2 LYS A 113 18.091 -6.383 -6.925 1.00 0.00 H new ATOM 0 HD3 LYS A 113 16.406 -6.181 -6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 113 16.751 -7.902 -4.653 1.00 0.00 H new ATOM 0 HE3 LYS A 113 18.461 -7.896 -5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 17.968 -6.408 -3.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 18.535 -5.520 -4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 16.878 -5.527 -4.168 1.00 0.00 H new ATOM 1756 N ILE A 114 12.764 -10.069 -7.567 1.00 0.00 N ATOM 1757 CA ILE A 114 11.894 -11.197 -7.249 1.00 0.00 C ATOM 1758 C ILE A 114 11.529 -11.997 -8.505 1.00 0.00 C ATOM 1759 O ILE A 114 11.580 -13.228 -8.499 1.00 0.00 O ATOM 1760 CB ILE A 114 10.608 -10.732 -6.519 1.00 0.00 C ATOM 1761 CG1 ILE A 114 9.912 -11.918 -5.851 1.00 0.00 C ATOM 1762 CG2 ILE A 114 9.655 -10.014 -7.467 1.00 0.00 C ATOM 1763 CD1 ILE A 114 9.999 -11.892 -4.342 1.00 0.00 C ATOM 0 H ILE A 114 12.400 -9.163 -7.273 1.00 0.00 H new ATOM 0 HA ILE A 114 12.453 -11.850 -6.578 1.00 0.00 H new ATOM 0 HB ILE A 114 10.903 -10.021 -5.747 1.00 0.00 H new ATOM 0 HG12 ILE A 114 8.863 -11.928 -6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 114 10.356 -12.844 -6.217 1.00 0.00 H new ATOM 0 HG21 ILE A 114 8.765 -9.702 -6.921 1.00 0.00 H new ATOM 0 HG22 ILE A 114 10.150 -9.137 -7.885 1.00 0.00 H new ATOM 0 HG23 ILE A 114 9.368 -10.688 -8.274 1.00 0.00 H new ATOM 0 HD11 ILE A 114 9.485 -12.762 -3.933 1.00 0.00 H new ATOM 0 HD12 ILE A 114 11.045 -11.913 -4.037 1.00 0.00 H new ATOM 0 HD13 ILE A 114 9.530 -10.983 -3.966 1.00 0.00 H new ATOM 1775 N GLU A 115 11.175 -11.290 -9.579 1.00 0.00 N ATOM 1776 CA GLU A 115 10.821 -11.937 -10.842 1.00 0.00 C ATOM 1777 C GLU A 115 12.045 -12.572 -11.503 1.00 0.00 C ATOM 1778 O GLU A 115 11.931 -13.586 -12.193 1.00 0.00 O ATOM 1779 CB GLU A 115 10.171 -10.933 -11.799 1.00 0.00 C ATOM 1780 CG GLU A 115 8.654 -10.881 -11.694 1.00 0.00 C ATOM 1781 CD GLU A 115 7.964 -11.943 -12.530 1.00 0.00 C ATOM 1782 OE1 GLU A 115 8.221 -12.000 -13.753 1.00 0.00 O ATOM 1783 OE2 GLU A 115 7.165 -12.717 -11.963 1.00 0.00 O ATOM 0 H GLU A 115 11.126 -10.271 -9.599 1.00 0.00 H new ATOM 0 HA GLU A 115 10.105 -12.728 -10.618 1.00 0.00 H new ATOM 0 HB2 GLU A 115 10.574 -9.940 -11.599 1.00 0.00 H new ATOM 0 HB3 GLU A 115 10.447 -11.189 -12.822 1.00 0.00 H new ATOM 0 HG2 GLU A 115 8.363 -11.003 -10.651 1.00 0.00 H new ATOM 0 HG3 GLU A 115 8.307 -9.897 -12.009 1.00 0.00 H new