USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 761 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 22 GLN : amide:sc= -1.48! K(o=-1.5!,f=-0.21) USER MOD Set 1.2: A 88 HIS : no HD1:sc= 0 K(o=-1.5,f=-0.21) USER MOD Set 2.1: A 39 HIS : no HD1:sc= 0.767 K(o=2.1,f=-6.5!) USER MOD Set 2.2: A 44 SER OG : rot -125:sc= 1.35 USER MOD Set 3.1: A 19 GLN : amide:sc= 0 X(o=-1.1,f=-1.1) USER MOD Set 3.2: A 20 GLN : amide:sc= -0.0969 X(o=-1.1,f=-1.2) USER MOD Set 3.3: A 23 GLN : amide:sc= -1.03 X(o=-1.1,f=-0.93) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.115 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -30:sc= 0.532 USER MOD Single : A 14 ASN : amide:sc= 0.202 X(o=0.2,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -1.6 K(o=-1.6,f=0.39) USER MOD Single : A 24 THR OG1 : rot 170:sc= 0 USER MOD Single : A 27 THR OG1 : rot 84:sc= 0.593 USER MOD Single : A 33 THR OG1 : rot 71:sc= 0.0732 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.109 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00524 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.632 USER MOD Single : A 52 LYS NZ :NH3+ 140:sc= -0.869 (180deg=-3.55!) USER MOD Single : A 58 SER OG : rot 63:sc= 1.25 USER MOD Single : A 60 THR OG1 : rot -74:sc= 0.562 USER MOD Single : A 66 ASN : amide:sc= -0.51 X(o=-0.51,f=-0.29) USER MOD Single : A 67 THR OG1 : rot 72:sc= 0.132 USER MOD Single : A 69 THR OG1 : rot -34:sc= 0.332 USER MOD Single : A 70 HIS : no HD1:sc= -0.0183 X(o=-0.018,f=0) USER MOD Single : A 71 ASN : amide:sc= -1.85! C(o=-1.8!,f=-3.1!) USER MOD Single : A 72 THR OG1 : rot -65:sc= 0.0116 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.004 USER MOD Single : A 84 HIS : no HD1:sc=-0.000386 X(o=-0.00039,f=-0.38) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.671 USER MOD Single : A 91 THR OG1 : rot 88:sc= 1.13 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 HIS : no HE2:sc= -0.322 K(o=-0.32,f=-1.4!) USER MOD Single : A 95 HIS : no HD1:sc= 0.641 K(o=0.64,f=-3.4!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0219 K(o=-0.022,f=-0.64) USER MOD Single : A 101 SER OG : rot -115:sc= 1.24 USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.737 -4.438 -16.577 1.00 4.47 N ATOM 2 CA GLY A 1 8.666 -5.792 -15.982 1.00 3.97 C ATOM 3 C GLY A 1 8.433 -5.732 -14.489 1.00 3.37 C ATOM 4 O GLY A 1 8.308 -4.646 -13.923 1.00 3.50 O ATOM 0 H1 GLY A 1 7.927 -4.296 -17.214 1.00 4.47 H new ATOM 0 H2 GLY A 1 8.712 -3.725 -15.821 1.00 4.47 H new ATOM 0 H3 GLY A 1 9.622 -4.341 -17.115 1.00 4.47 H new ATOM 0 HA2 GLY A 1 7.861 -6.356 -16.454 1.00 3.97 H new ATOM 0 HA3 GLY A 1 9.593 -6.328 -16.185 1.00 3.97 H new ATOM 10 N ALA A 2 8.381 -6.890 -13.849 1.00 3.02 N ATOM 11 CA ALA A 2 8.154 -6.958 -12.415 1.00 2.58 C ATOM 12 C ALA A 2 8.873 -8.156 -11.808 1.00 2.13 C ATOM 13 O ALA A 2 8.261 -8.998 -11.149 1.00 2.41 O ATOM 14 CB ALA A 2 6.664 -7.015 -12.115 1.00 2.87 C ATOM 0 H ALA A 2 8.493 -7.797 -14.302 1.00 3.02 H new ATOM 0 HA ALA A 2 8.562 -6.055 -11.961 1.00 2.58 H new ATOM 0 HB1 ALA A 2 6.512 -7.066 -11.037 1.00 2.87 H new ATOM 0 HB2 ALA A 2 6.179 -6.122 -12.508 1.00 2.87 H new ATOM 0 HB3 ALA A 2 6.232 -7.899 -12.584 1.00 2.87 H new ATOM 20 N ALA A 3 10.177 -8.229 -12.045 1.00 1.91 N ATOM 21 CA ALA A 3 11.003 -9.277 -11.458 1.00 1.62 C ATOM 22 C ALA A 3 11.231 -8.986 -9.983 1.00 1.42 C ATOM 23 O ALA A 3 11.475 -9.889 -9.181 1.00 1.97 O ATOM 24 CB ALA A 3 12.328 -9.382 -12.196 1.00 1.64 C ATOM 0 H ALA A 3 10.686 -7.575 -12.640 1.00 1.91 H new ATOM 0 HA ALA A 3 10.486 -10.232 -11.551 1.00 1.62 H new ATOM 0 HB1 ALA A 3 12.934 -10.169 -11.746 1.00 1.64 H new ATOM 0 HB2 ALA A 3 12.143 -9.620 -13.243 1.00 1.64 H new ATOM 0 HB3 ALA A 3 12.858 -8.432 -12.128 1.00 1.64 H new ATOM 30 N SER A 4 11.109 -7.711 -9.645 1.00 0.96 N ATOM 31 CA SER A 4 11.254 -7.230 -8.284 1.00 0.76 C ATOM 32 C SER A 4 11.023 -5.732 -8.255 1.00 0.67 C ATOM 33 O SER A 4 11.920 -4.945 -8.548 1.00 0.72 O ATOM 34 CB SER A 4 12.638 -7.549 -7.706 1.00 0.82 C ATOM 35 OG SER A 4 12.711 -7.174 -6.339 1.00 1.73 O ATOM 0 H SER A 4 10.904 -6.974 -10.319 1.00 0.96 H new ATOM 0 HA SER A 4 10.514 -7.740 -7.667 1.00 0.76 H new ATOM 0 HB2 SER A 4 12.843 -8.615 -7.807 1.00 0.82 H new ATOM 0 HB3 SER A 4 13.405 -7.022 -8.274 1.00 0.82 H new ATOM 0 HG SER A 4 13.601 -7.387 -5.988 1.00 1.73 H new ATOM 41 N ALA A 5 9.812 -5.328 -7.935 1.00 0.62 N ATOM 42 CA ALA A 5 9.531 -3.920 -7.750 1.00 0.56 C ATOM 43 C ALA A 5 9.867 -3.516 -6.327 1.00 0.49 C ATOM 44 O ALA A 5 9.662 -2.381 -5.925 1.00 0.45 O ATOM 45 CB ALA A 5 8.087 -3.600 -8.082 1.00 0.59 C ATOM 0 H ALA A 5 9.013 -5.947 -7.799 1.00 0.62 H new ATOM 0 HA ALA A 5 10.154 -3.346 -8.436 1.00 0.56 H new ATOM 0 HB1 ALA A 5 7.907 -2.535 -7.933 1.00 0.59 H new ATOM 0 HB2 ALA A 5 7.886 -3.860 -9.121 1.00 0.59 H new ATOM 0 HB3 ALA A 5 7.428 -4.174 -7.430 1.00 0.59 H new ATOM 51 N ALA A 6 10.428 -4.456 -5.582 1.00 0.50 N ATOM 52 CA ALA A 6 10.858 -4.210 -4.215 1.00 0.46 C ATOM 53 C ALA A 6 12.216 -3.540 -4.216 1.00 0.48 C ATOM 54 O ALA A 6 12.601 -2.866 -3.262 1.00 0.56 O ATOM 55 CB ALA A 6 10.907 -5.522 -3.456 1.00 0.51 C ATOM 0 H ALA A 6 10.597 -5.408 -5.907 1.00 0.50 H new ATOM 0 HA ALA A 6 10.148 -3.546 -3.721 1.00 0.46 H new ATOM 0 HB1 ALA A 6 11.229 -5.338 -2.431 1.00 0.51 H new ATOM 0 HB2 ALA A 6 9.916 -5.975 -3.449 1.00 0.51 H new ATOM 0 HB3 ALA A 6 11.611 -6.197 -3.942 1.00 0.51 H new ATOM 61 N THR A 7 12.918 -3.706 -5.319 1.00 0.52 N ATOM 62 CA THR A 7 14.196 -3.060 -5.507 1.00 0.52 C ATOM 63 C THR A 7 13.991 -1.819 -6.362 1.00 0.50 C ATOM 64 O THR A 7 14.918 -1.056 -6.630 1.00 0.51 O ATOM 65 CB THR A 7 15.236 -4.011 -6.137 1.00 0.61 C ATOM 66 OG1 THR A 7 16.500 -3.349 -6.293 1.00 0.64 O ATOM 67 CG2 THR A 7 14.762 -4.541 -7.482 1.00 0.69 C ATOM 0 H THR A 7 12.620 -4.288 -6.102 1.00 0.52 H new ATOM 0 HA THR A 7 14.596 -2.774 -4.535 1.00 0.52 H new ATOM 0 HB THR A 7 15.357 -4.856 -5.459 1.00 0.61 H new ATOM 0 HG1 THR A 7 16.352 -2.391 -6.436 1.00 0.64 H new ATOM 0 HG21 THR A 7 15.518 -5.207 -7.897 1.00 0.69 H new ATOM 0 HG22 THR A 7 13.829 -5.089 -7.349 1.00 0.69 H new ATOM 0 HG23 THR A 7 14.599 -3.707 -8.165 1.00 0.69 H new ATOM 75 N ASP A 8 12.741 -1.608 -6.767 1.00 0.49 N ATOM 76 CA ASP A 8 12.351 -0.402 -7.471 1.00 0.48 C ATOM 77 C ASP A 8 11.665 0.524 -6.503 1.00 0.40 C ATOM 78 O ASP A 8 11.787 1.739 -6.571 1.00 0.40 O ATOM 79 CB ASP A 8 11.366 -0.712 -8.580 1.00 0.54 C ATOM 80 CG ASP A 8 11.997 -0.750 -9.955 1.00 0.64 C ATOM 81 OD1 ASP A 8 12.768 -1.692 -10.240 1.00 0.75 O ATOM 82 OD2 ASP A 8 11.696 0.143 -10.771 1.00 0.73 O ATOM 0 H ASP A 8 11.978 -2.268 -6.615 1.00 0.49 H new ATOM 0 HA ASP A 8 13.248 0.049 -7.896 1.00 0.48 H new ATOM 0 HB2 ASP A 8 10.895 -1.674 -8.378 1.00 0.54 H new ATOM 0 HB3 ASP A 8 10.575 0.038 -8.573 1.00 0.54 H new ATOM 87 N LEU A 9 10.917 -0.077 -5.601 1.00 0.36 N ATOM 88 CA LEU A 9 10.211 0.667 -4.591 1.00 0.30 C ATOM 89 C LEU A 9 11.203 1.308 -3.661 1.00 0.28 C ATOM 90 O LEU A 9 11.216 2.520 -3.464 1.00 0.26 O ATOM 91 CB LEU A 9 9.323 -0.236 -3.763 1.00 0.29 C ATOM 92 CG LEU A 9 8.791 0.431 -2.506 1.00 0.25 C ATOM 93 CD1 LEU A 9 7.782 1.509 -2.870 1.00 0.24 C ATOM 94 CD2 LEU A 9 8.216 -0.609 -1.575 1.00 0.26 C ATOM 0 H LEU A 9 10.785 -1.087 -5.551 1.00 0.36 H new ATOM 0 HA LEU A 9 9.598 1.414 -5.096 1.00 0.30 H new ATOM 0 HB2 LEU A 9 8.483 -0.567 -4.374 1.00 0.29 H new ATOM 0 HB3 LEU A 9 9.884 -1.128 -3.483 1.00 0.29 H new ATOM 0 HG LEU A 9 9.607 0.924 -1.977 1.00 0.25 H new ATOM 0 HD11 LEU A 9 7.408 1.979 -1.961 1.00 0.24 H new ATOM 0 HD12 LEU A 9 8.263 2.261 -3.496 1.00 0.24 H new ATOM 0 HD13 LEU A 9 6.951 1.061 -3.414 1.00 0.24 H new ATOM 0 HD21 LEU A 9 7.837 -0.123 -0.676 1.00 0.26 H new ATOM 0 HD22 LEU A 9 7.402 -1.134 -2.075 1.00 0.26 H new ATOM 0 HD23 LEU A 9 8.994 -1.322 -1.301 1.00 0.26 H new ATOM 106 N ALA A 10 12.038 0.452 -3.097 1.00 0.31 N ATOM 107 CA ALA A 10 13.135 0.888 -2.242 1.00 0.32 C ATOM 108 C ALA A 10 14.111 1.773 -3.016 1.00 0.35 C ATOM 109 O ALA A 10 15.077 2.281 -2.459 1.00 0.39 O ATOM 110 CB ALA A 10 13.852 -0.318 -1.661 1.00 0.42 C ATOM 0 H ALA A 10 11.978 -0.559 -3.216 1.00 0.31 H new ATOM 0 HA ALA A 10 12.723 1.480 -1.425 1.00 0.32 H new ATOM 0 HB1 ALA A 10 14.670 0.017 -1.024 1.00 0.42 H new ATOM 0 HB2 ALA A 10 13.151 -0.909 -1.071 1.00 0.42 H new ATOM 0 HB3 ALA A 10 14.250 -0.929 -2.471 1.00 0.42 H new ATOM 116 N ALA A 11 13.835 1.964 -4.302 1.00 0.36 N ATOM 117 CA ALA A 11 14.600 2.865 -5.132 1.00 0.41 C ATOM 118 C ALA A 11 13.997 4.260 -5.084 1.00 0.39 C ATOM 119 O ALA A 11 14.722 5.253 -5.145 1.00 0.44 O ATOM 120 CB ALA A 11 14.646 2.357 -6.547 1.00 0.51 C ATOM 0 H ALA A 11 13.073 1.495 -4.791 1.00 0.36 H new ATOM 0 HA ALA A 11 15.620 2.915 -4.751 1.00 0.41 H new ATOM 0 HB1 ALA A 11 15.226 3.045 -7.162 1.00 0.51 H new ATOM 0 HB2 ALA A 11 15.114 1.373 -6.565 1.00 0.51 H new ATOM 0 HB3 ALA A 11 13.632 2.284 -6.941 1.00 0.51 H new ATOM 126 N ARG A 12 12.666 4.351 -4.989 1.00 0.36 N ATOM 127 CA ARG A 12 12.011 5.624 -4.727 1.00 0.41 C ATOM 128 C ARG A 12 12.368 6.090 -3.331 1.00 0.34 C ATOM 129 O ARG A 12 12.518 7.279 -3.064 1.00 0.38 O ATOM 130 CB ARG A 12 10.496 5.458 -4.799 1.00 0.54 C ATOM 131 CG ARG A 12 9.903 5.447 -6.184 1.00 0.68 C ATOM 132 CD ARG A 12 10.069 4.096 -6.830 1.00 0.64 C ATOM 133 NE ARG A 12 9.184 3.925 -7.981 1.00 1.29 N ATOM 134 CZ ARG A 12 8.620 2.769 -8.338 1.00 1.49 C ATOM 135 NH1 ARG A 12 8.862 1.660 -7.653 1.00 1.30 N ATOM 136 NH2 ARG A 12 7.819 2.724 -9.393 1.00 2.35 N ATOM 0 H ARG A 12 12.030 3.560 -5.090 1.00 0.36 H new ATOM 0 HA ARG A 12 12.340 6.349 -5.472 1.00 0.41 H new ATOM 0 HB2 ARG A 12 10.227 4.526 -4.302 1.00 0.54 H new ATOM 0 HB3 ARG A 12 10.033 6.266 -4.233 1.00 0.54 H new ATOM 0 HG2 ARG A 12 8.845 5.702 -6.133 1.00 0.68 H new ATOM 0 HG3 ARG A 12 10.385 6.209 -6.796 1.00 0.68 H new ATOM 0 HD2 ARG A 12 11.104 3.971 -7.147 1.00 0.64 H new ATOM 0 HD3 ARG A 12 9.864 3.316 -6.097 1.00 0.64 H new ATOM 0 HE ARG A 12 8.983 4.747 -8.551 1.00 1.29 H new ATOM 0 HH11 ARG A 12 9.484 1.685 -6.845 1.00 1.30 H new ATOM 0 HH12 ARG A 12 8.426 0.782 -7.934 1.00 1.30 H new ATOM 0 HH21 ARG A 12 7.635 3.571 -9.930 1.00 2.35 H new ATOM 0 HH22 ARG A 12 7.387 1.842 -9.668 1.00 2.35 H new ATOM 150 N LEU A 13 12.498 5.108 -2.456 1.00 0.29 N ATOM 151 CA LEU A 13 12.740 5.333 -1.041 1.00 0.28 C ATOM 152 C LEU A 13 14.204 5.632 -0.815 1.00 0.31 C ATOM 153 O LEU A 13 14.579 6.381 0.080 1.00 0.33 O ATOM 154 CB LEU A 13 12.326 4.086 -0.259 1.00 0.27 C ATOM 155 CG LEU A 13 10.821 3.943 0.041 1.00 0.27 C ATOM 156 CD1 LEU A 13 9.977 4.267 -1.166 1.00 0.74 C ATOM 157 CD2 LEU A 13 10.503 2.547 0.534 1.00 0.70 C ATOM 0 H LEU A 13 12.438 4.122 -2.710 1.00 0.29 H new ATOM 0 HA LEU A 13 12.154 6.185 -0.696 1.00 0.28 H new ATOM 0 HB2 LEU A 13 12.650 3.208 -0.817 1.00 0.27 H new ATOM 0 HB3 LEU A 13 12.867 4.079 0.687 1.00 0.27 H new ATOM 0 HG LEU A 13 10.579 4.662 0.824 1.00 0.27 H new ATOM 0 HD11 LEU A 13 8.923 4.154 -0.914 1.00 0.74 H new ATOM 0 HD12 LEU A 13 10.168 5.294 -1.478 1.00 0.74 H new ATOM 0 HD13 LEU A 13 10.230 3.587 -1.980 1.00 0.74 H new ATOM 0 HD21 LEU A 13 9.435 2.468 0.740 1.00 0.70 H new ATOM 0 HD22 LEU A 13 10.780 1.820 -0.229 1.00 0.70 H new ATOM 0 HD23 LEU A 13 11.064 2.347 1.447 1.00 0.70 H new ATOM 169 N ASN A 14 15.012 4.998 -1.631 1.00 0.35 N ATOM 170 CA ASN A 14 16.452 5.210 -1.674 1.00 0.41 C ATOM 171 C ASN A 14 16.817 6.689 -1.644 1.00 0.43 C ATOM 172 O ASN A 14 16.409 7.462 -2.513 1.00 0.84 O ATOM 173 CB ASN A 14 16.968 4.587 -2.959 1.00 0.52 C ATOM 174 CG ASN A 14 18.262 3.826 -2.791 1.00 0.81 C ATOM 175 OD1 ASN A 14 19.351 4.395 -2.851 1.00 1.39 O ATOM 176 ND2 ASN A 14 18.146 2.520 -2.613 1.00 0.65 N ATOM 0 H ASN A 14 14.686 4.303 -2.302 1.00 0.35 H new ATOM 0 HA ASN A 14 16.904 4.752 -0.794 1.00 0.41 H new ATOM 0 HB2 ASN A 14 16.209 3.912 -3.355 1.00 0.52 H new ATOM 0 HB3 ASN A 14 17.113 5.373 -3.700 1.00 0.52 H new ATOM 0 HD21 ASN A 14 18.981 1.942 -2.519 1.00 0.65 H new ATOM 0 HD22 ASN A 14 17.221 2.091 -2.570 1.00 0.65 H new ATOM 183 N GLY A 15 17.588 7.069 -0.638 1.00 0.48 N ATOM 184 CA GLY A 15 18.022 8.445 -0.505 1.00 0.49 C ATOM 185 C GLY A 15 17.110 9.256 0.390 1.00 0.46 C ATOM 186 O GLY A 15 17.463 10.354 0.824 1.00 0.56 O ATOM 0 H GLY A 15 17.924 6.444 0.095 1.00 0.48 H new ATOM 0 HA2 GLY A 15 19.034 8.466 -0.101 1.00 0.49 H new ATOM 0 HA3 GLY A 15 18.062 8.907 -1.491 1.00 0.49 H new ATOM 190 N LEU A 16 15.941 8.713 0.676 1.00 0.38 N ATOM 191 CA LEU A 16 14.938 9.421 1.449 1.00 0.35 C ATOM 192 C LEU A 16 14.974 9.014 2.912 1.00 0.35 C ATOM 193 O LEU A 16 15.521 7.972 3.276 1.00 0.37 O ATOM 194 CB LEU A 16 13.540 9.163 0.874 1.00 0.32 C ATOM 195 CG LEU A 16 13.131 10.044 -0.305 1.00 0.35 C ATOM 196 CD1 LEU A 16 13.292 11.498 0.065 1.00 0.94 C ATOM 197 CD2 LEU A 16 13.941 9.714 -1.547 1.00 0.82 C ATOM 0 H LEU A 16 15.662 7.777 0.382 1.00 0.38 H new ATOM 0 HA LEU A 16 15.164 10.485 1.385 1.00 0.35 H new ATOM 0 HB2 LEU A 16 13.484 8.121 0.560 1.00 0.32 H new ATOM 0 HB3 LEU A 16 12.810 9.296 1.672 1.00 0.32 H new ATOM 0 HG LEU A 16 12.084 9.848 -0.535 1.00 0.35 H new ATOM 0 HD11 LEU A 16 12.999 12.123 -0.779 1.00 0.94 H new ATOM 0 HD12 LEU A 16 12.660 11.727 0.923 1.00 0.94 H new ATOM 0 HD13 LEU A 16 14.333 11.696 0.319 1.00 0.94 H new ATOM 0 HD21 LEU A 16 13.626 10.358 -2.368 1.00 0.82 H new ATOM 0 HD22 LEU A 16 15.000 9.876 -1.344 1.00 0.82 H new ATOM 0 HD23 LEU A 16 13.779 8.671 -1.821 1.00 0.82 H new ATOM 209 N SER A 17 14.384 9.857 3.740 1.00 0.35 N ATOM 210 CA SER A 17 14.243 9.590 5.158 1.00 0.37 C ATOM 211 C SER A 17 13.026 8.705 5.388 1.00 0.33 C ATOM 212 O SER A 17 12.171 8.607 4.512 1.00 0.31 O ATOM 213 CB SER A 17 14.094 10.914 5.897 1.00 0.39 C ATOM 214 OG SER A 17 15.204 11.757 5.646 1.00 1.08 O ATOM 0 H SER A 17 13.988 10.750 3.445 1.00 0.35 H new ATOM 0 HA SER A 17 15.124 9.070 5.535 1.00 0.37 H new ATOM 0 HB2 SER A 17 13.176 11.410 5.582 1.00 0.39 H new ATOM 0 HB3 SER A 17 14.006 10.730 6.968 1.00 0.39 H new ATOM 0 HG SER A 17 15.088 12.602 6.128 1.00 1.08 H new ATOM 220 N PRO A 18 12.931 8.049 6.551 1.00 0.36 N ATOM 221 CA PRO A 18 11.852 7.098 6.850 1.00 0.35 C ATOM 222 C PRO A 18 10.459 7.629 6.499 1.00 0.31 C ATOM 223 O PRO A 18 9.695 6.955 5.809 1.00 0.29 O ATOM 224 CB PRO A 18 12.002 6.880 8.353 1.00 0.39 C ATOM 225 CG PRO A 18 13.462 7.054 8.586 1.00 0.42 C ATOM 226 CD PRO A 18 13.877 8.170 7.680 1.00 0.45 C ATOM 0 HA PRO A 18 11.934 6.186 6.259 1.00 0.35 H new ATOM 0 HB2 PRO A 18 11.416 7.601 8.923 1.00 0.39 H new ATOM 0 HB3 PRO A 18 11.664 5.887 8.650 1.00 0.39 H new ATOM 0 HG2 PRO A 18 13.668 7.297 9.629 1.00 0.42 H new ATOM 0 HG3 PRO A 18 14.008 6.139 8.358 1.00 0.42 H new ATOM 0 HD2 PRO A 18 13.798 9.140 8.171 1.00 0.45 H new ATOM 0 HD3 PRO A 18 14.911 8.062 7.354 1.00 0.45 H new ATOM 234 N GLN A 19 10.151 8.844 6.937 1.00 0.32 N ATOM 235 CA GLN A 19 8.845 9.445 6.666 1.00 0.32 C ATOM 236 C GLN A 19 8.676 9.749 5.176 1.00 0.29 C ATOM 237 O GLN A 19 7.575 9.651 4.640 1.00 0.28 O ATOM 238 CB GLN A 19 8.650 10.718 7.478 1.00 0.36 C ATOM 239 CG GLN A 19 7.248 11.272 7.351 1.00 0.71 C ATOM 240 CD GLN A 19 7.133 12.710 7.815 1.00 1.28 C ATOM 241 OE1 GLN A 19 7.310 13.642 7.033 1.00 2.00 O ATOM 242 NE2 GLN A 19 6.833 12.902 9.086 1.00 2.04 N ATOM 0 H GLN A 19 10.783 9.433 7.479 1.00 0.32 H new ATOM 0 HA GLN A 19 8.086 8.721 6.962 1.00 0.32 H new ATOM 0 HB2 GLN A 19 8.863 10.513 8.527 1.00 0.36 H new ATOM 0 HB3 GLN A 19 9.367 11.470 7.148 1.00 0.36 H new ATOM 0 HG2 GLN A 19 6.930 11.206 6.310 1.00 0.71 H new ATOM 0 HG3 GLN A 19 6.565 10.653 7.933 1.00 0.71 H new ATOM 0 HE21 GLN A 19 6.694 12.102 9.704 1.00 2.04 H new ATOM 0 HE22 GLN A 19 6.740 13.850 9.451 1.00 2.04 H new ATOM 251 N GLN A 20 9.772 10.079 4.502 1.00 0.28 N ATOM 252 CA GLN A 20 9.739 10.342 3.062 1.00 0.27 C ATOM 253 C GLN A 20 9.495 9.042 2.315 1.00 0.24 C ATOM 254 O GLN A 20 8.667 8.965 1.407 1.00 0.23 O ATOM 255 CB GLN A 20 11.066 10.927 2.589 1.00 0.30 C ATOM 256 CG GLN A 20 11.295 12.381 2.955 1.00 0.37 C ATOM 257 CD GLN A 20 10.337 13.319 2.248 1.00 0.95 C ATOM 258 OE1 GLN A 20 9.864 13.029 1.150 1.00 1.78 O ATOM 259 NE2 GLN A 20 10.059 14.457 2.860 1.00 1.68 N ATOM 0 H GLN A 20 10.695 10.172 4.926 1.00 0.28 H new ATOM 0 HA GLN A 20 8.939 11.055 2.863 1.00 0.27 H new ATOM 0 HB2 GLN A 20 11.877 10.331 3.007 1.00 0.30 H new ATOM 0 HB3 GLN A 20 11.123 10.828 1.505 1.00 0.30 H new ATOM 0 HG2 GLN A 20 11.186 12.502 4.033 1.00 0.37 H new ATOM 0 HG3 GLN A 20 12.319 12.658 2.705 1.00 0.37 H new ATOM 0 HE21 GLN A 20 10.472 14.661 3.770 1.00 1.68 H new ATOM 0 HE22 GLN A 20 9.432 15.132 2.422 1.00 1.68 H new ATOM 268 N GLN A 21 10.249 8.028 2.716 1.00 0.24 N ATOM 269 CA GLN A 21 10.096 6.677 2.200 1.00 0.22 C ATOM 270 C GLN A 21 8.684 6.181 2.446 1.00 0.21 C ATOM 271 O GLN A 21 8.139 5.387 1.681 1.00 0.25 O ATOM 272 CB GLN A 21 11.107 5.760 2.893 1.00 0.25 C ATOM 273 CG GLN A 21 12.545 6.058 2.512 1.00 0.28 C ATOM 274 CD GLN A 21 13.553 5.164 3.218 1.00 0.35 C ATOM 275 OE1 GLN A 21 14.608 4.846 2.668 1.00 1.22 O ATOM 276 NE2 GLN A 21 13.245 4.753 4.438 1.00 1.06 N ATOM 0 H GLN A 21 10.988 8.121 3.413 1.00 0.24 H new ATOM 0 HA GLN A 21 10.279 6.674 1.126 1.00 0.22 H new ATOM 0 HB2 GLN A 21 10.996 5.859 3.973 1.00 0.25 H new ATOM 0 HB3 GLN A 21 10.879 4.724 2.643 1.00 0.25 H new ATOM 0 HG2 GLN A 21 12.659 5.942 1.434 1.00 0.28 H new ATOM 0 HG3 GLN A 21 12.767 7.099 2.746 1.00 0.28 H new ATOM 0 HE21 GLN A 21 12.362 5.036 4.864 1.00 1.06 H new ATOM 0 HE22 GLN A 21 13.891 4.154 4.952 1.00 1.06 H new ATOM 285 N GLN A 22 8.103 6.660 3.530 1.00 0.21 N ATOM 286 CA GLN A 22 6.732 6.358 3.857 1.00 0.21 C ATOM 287 C GLN A 22 5.814 7.011 2.840 1.00 0.18 C ATOM 288 O GLN A 22 4.976 6.349 2.256 1.00 0.17 O ATOM 289 CB GLN A 22 6.414 6.856 5.258 1.00 0.27 C ATOM 290 CG GLN A 22 5.113 6.349 5.815 1.00 0.46 C ATOM 291 CD GLN A 22 4.548 7.216 6.926 1.00 0.92 C ATOM 292 OE1 GLN A 22 3.912 6.710 7.850 1.00 1.56 O ATOM 293 NE2 GLN A 22 4.748 8.523 6.835 1.00 1.60 N ATOM 0 H GLN A 22 8.571 7.267 4.203 1.00 0.21 H new ATOM 0 HA GLN A 22 6.579 5.279 3.830 1.00 0.21 H new ATOM 0 HB2 GLN A 22 7.222 6.561 5.928 1.00 0.27 H new ATOM 0 HB3 GLN A 22 6.391 7.946 5.247 1.00 0.27 H new ATOM 0 HG2 GLN A 22 4.383 6.285 5.008 1.00 0.46 H new ATOM 0 HG3 GLN A 22 5.259 5.337 6.194 1.00 0.46 H new ATOM 0 HE21 GLN A 22 5.281 8.904 6.053 1.00 1.60 H new ATOM 0 HE22 GLN A 22 4.369 9.148 7.547 1.00 1.60 H new ATOM 302 N GLN A 23 6.025 8.308 2.616 1.00 0.19 N ATOM 303 CA GLN A 23 5.222 9.111 1.690 1.00 0.18 C ATOM 304 C GLN A 23 5.031 8.463 0.329 1.00 0.15 C ATOM 305 O GLN A 23 3.948 8.527 -0.233 1.00 0.15 O ATOM 306 CB GLN A 23 5.879 10.445 1.487 1.00 0.20 C ATOM 307 CG GLN A 23 5.886 11.294 2.739 1.00 0.24 C ATOM 308 CD GLN A 23 6.716 12.555 2.598 1.00 0.30 C ATOM 309 OE1 GLN A 23 7.276 13.056 3.575 1.00 1.05 O ATOM 310 NE2 GLN A 23 6.795 13.081 1.384 1.00 1.24 N ATOM 0 H GLN A 23 6.765 8.837 3.076 1.00 0.19 H new ATOM 0 HA GLN A 23 4.237 9.209 2.147 1.00 0.18 H new ATOM 0 HB2 GLN A 23 6.905 10.292 1.152 1.00 0.20 H new ATOM 0 HB3 GLN A 23 5.361 10.982 0.693 1.00 0.20 H new ATOM 0 HG2 GLN A 23 4.861 11.567 2.991 1.00 0.24 H new ATOM 0 HG3 GLN A 23 6.272 10.703 3.569 1.00 0.24 H new ATOM 0 HE21 GLN A 23 6.316 12.634 0.602 1.00 1.24 H new ATOM 0 HE22 GLN A 23 7.335 13.933 1.231 1.00 1.24 H new ATOM 319 N THR A 24 6.086 7.879 -0.209 1.00 0.15 N ATOM 320 CA THR A 24 6.010 7.203 -1.493 1.00 0.14 C ATOM 321 C THR A 24 4.961 6.097 -1.466 1.00 0.12 C ATOM 322 O THR A 24 4.126 6.006 -2.362 1.00 0.12 O ATOM 323 CB THR A 24 7.385 6.636 -1.861 1.00 0.16 C ATOM 324 OG1 THR A 24 8.227 7.685 -2.363 1.00 0.19 O ATOM 325 CG2 THR A 24 7.270 5.516 -2.882 1.00 0.17 C ATOM 0 H THR A 24 7.009 7.859 0.224 1.00 0.15 H new ATOM 0 HA THR A 24 5.710 7.926 -2.251 1.00 0.14 H new ATOM 0 HB THR A 24 7.831 6.216 -0.959 1.00 0.16 H new ATOM 0 HG1 THR A 24 9.146 7.356 -2.444 1.00 0.19 H new ATOM 0 HG21 THR A 24 8.264 5.137 -3.120 1.00 0.17 H new ATOM 0 HG22 THR A 24 6.663 4.709 -2.470 1.00 0.17 H new ATOM 0 HG23 THR A 24 6.800 5.897 -3.789 1.00 0.17 H new ATOM 333 N LEU A 25 4.971 5.292 -0.417 1.00 0.12 N ATOM 334 CA LEU A 25 3.950 4.267 -0.251 1.00 0.11 C ATOM 335 C LEU A 25 2.657 4.942 0.144 1.00 0.11 C ATOM 336 O LEU A 25 1.593 4.624 -0.350 1.00 0.10 O ATOM 337 CB LEU A 25 4.348 3.306 0.845 1.00 0.12 C ATOM 338 CG LEU A 25 5.640 2.545 0.628 1.00 0.14 C ATOM 339 CD1 LEU A 25 6.240 2.198 1.972 1.00 0.32 C ATOM 340 CD2 LEU A 25 5.380 1.292 -0.188 1.00 0.39 C ATOM 0 H LEU A 25 5.667 5.326 0.327 1.00 0.12 H new ATOM 0 HA LEU A 25 3.834 3.717 -1.185 1.00 0.11 H new ATOM 0 HB2 LEU A 25 4.431 3.865 1.777 1.00 0.12 H new ATOM 0 HB3 LEU A 25 3.542 2.584 0.977 1.00 0.12 H new ATOM 0 HG LEU A 25 6.344 3.165 0.073 1.00 0.14 H new ATOM 0 HD11 LEU A 25 7.171 1.650 1.824 1.00 0.32 H new ATOM 0 HD12 LEU A 25 6.442 3.114 2.527 1.00 0.32 H new ATOM 0 HD13 LEU A 25 5.540 1.580 2.534 1.00 0.32 H new ATOM 0 HD21 LEU A 25 6.316 0.754 -0.337 1.00 0.39 H new ATOM 0 HD22 LEU A 25 4.674 0.652 0.342 1.00 0.39 H new ATOM 0 HD23 LEU A 25 4.962 1.568 -1.156 1.00 0.39 H new ATOM 352 N ALA A 26 2.788 5.924 1.006 1.00 0.12 N ATOM 353 CA ALA A 26 1.665 6.698 1.501 1.00 0.13 C ATOM 354 C ALA A 26 1.075 7.578 0.399 1.00 0.13 C ATOM 355 O ALA A 26 0.211 8.421 0.639 1.00 0.16 O ATOM 356 CB ALA A 26 2.140 7.527 2.684 1.00 0.16 C ATOM 0 H ALA A 26 3.687 6.214 1.390 1.00 0.12 H new ATOM 0 HA ALA A 26 0.867 6.029 1.824 1.00 0.13 H new ATOM 0 HB1 ALA A 26 1.310 8.117 3.072 1.00 0.16 H new ATOM 0 HB2 ALA A 26 2.511 6.865 3.467 1.00 0.16 H new ATOM 0 HB3 ALA A 26 2.940 8.194 2.363 1.00 0.16 H new ATOM 362 N THR A 27 1.562 7.361 -0.803 1.00 0.12 N ATOM 363 CA THR A 27 1.076 8.013 -1.989 1.00 0.12 C ATOM 364 C THR A 27 0.644 6.947 -2.981 1.00 0.11 C ATOM 365 O THR A 27 -0.449 6.989 -3.526 1.00 0.11 O ATOM 366 CB THR A 27 2.186 8.890 -2.605 1.00 0.15 C ATOM 367 OG1 THR A 27 2.319 10.112 -1.869 1.00 0.20 O ATOM 368 CG2 THR A 27 1.930 9.176 -4.074 1.00 0.15 C ATOM 0 H THR A 27 2.326 6.709 -0.982 1.00 0.12 H new ATOM 0 HA THR A 27 0.231 8.655 -1.740 1.00 0.12 H new ATOM 0 HB THR A 27 3.121 8.334 -2.541 1.00 0.15 H new ATOM 0 HG1 THR A 27 2.901 9.966 -1.094 1.00 0.20 H new ATOM 0 HG21 THR A 27 2.734 9.796 -4.470 1.00 0.15 H new ATOM 0 HG22 THR A 27 1.891 8.237 -4.626 1.00 0.15 H new ATOM 0 HG23 THR A 27 0.981 9.701 -4.183 1.00 0.15 H new ATOM 376 N LEU A 28 1.517 5.971 -3.156 1.00 0.09 N ATOM 377 CA LEU A 28 1.311 4.866 -4.058 1.00 0.09 C ATOM 378 C LEU A 28 0.225 3.938 -3.567 1.00 0.08 C ATOM 379 O LEU A 28 -0.609 3.480 -4.332 1.00 0.08 O ATOM 380 CB LEU A 28 2.601 4.081 -4.184 1.00 0.10 C ATOM 381 CG LEU A 28 2.395 2.626 -4.560 1.00 0.11 C ATOM 382 CD1 LEU A 28 2.466 2.433 -6.060 1.00 0.42 C ATOM 383 CD2 LEU A 28 3.371 1.737 -3.818 1.00 0.49 C ATOM 0 H LEU A 28 2.408 5.929 -2.661 1.00 0.09 H new ATOM 0 HA LEU A 28 1.005 5.272 -5.022 1.00 0.09 H new ATOM 0 HB2 LEU A 28 3.233 4.555 -4.935 1.00 0.10 H new ATOM 0 HB3 LEU A 28 3.140 4.130 -3.238 1.00 0.10 H new ATOM 0 HG LEU A 28 1.392 2.329 -4.253 1.00 0.11 H new ATOM 0 HD11 LEU A 28 2.315 1.380 -6.299 1.00 0.42 H new ATOM 0 HD12 LEU A 28 1.690 3.029 -6.541 1.00 0.42 H new ATOM 0 HD13 LEU A 28 3.444 2.750 -6.422 1.00 0.42 H new ATOM 0 HD21 LEU A 28 3.206 0.698 -4.103 1.00 0.49 H new ATOM 0 HD22 LEU A 28 4.391 2.025 -4.072 1.00 0.49 H new ATOM 0 HD23 LEU A 28 3.220 1.847 -2.744 1.00 0.49 H new ATOM 395 N VAL A 29 0.265 3.649 -2.291 1.00 0.08 N ATOM 396 CA VAL A 29 -0.692 2.755 -1.675 1.00 0.09 C ATOM 397 C VAL A 29 -2.073 3.367 -1.724 1.00 0.08 C ATOM 398 O VAL A 29 -3.086 2.684 -1.893 1.00 0.09 O ATOM 399 CB VAL A 29 -0.303 2.446 -0.220 1.00 0.10 C ATOM 400 CG1 VAL A 29 -1.442 1.754 0.512 1.00 0.11 C ATOM 401 CG2 VAL A 29 0.956 1.599 -0.194 1.00 0.10 C ATOM 0 H VAL A 29 0.961 4.025 -1.647 1.00 0.08 H new ATOM 0 HA VAL A 29 -0.693 1.818 -2.232 1.00 0.09 H new ATOM 0 HB VAL A 29 -0.104 3.384 0.297 1.00 0.10 H new ATOM 0 HG11 VAL A 29 -1.142 1.546 1.539 1.00 0.11 H new ATOM 0 HG12 VAL A 29 -2.319 2.401 0.514 1.00 0.11 H new ATOM 0 HG13 VAL A 29 -1.683 0.818 0.008 1.00 0.11 H new ATOM 0 HG21 VAL A 29 1.228 1.383 0.839 1.00 0.10 H new ATOM 0 HG22 VAL A 29 0.777 0.664 -0.725 1.00 0.10 H new ATOM 0 HG23 VAL A 29 1.769 2.141 -0.677 1.00 0.10 H new ATOM 411 N ALA A 30 -2.098 4.669 -1.599 1.00 0.08 N ATOM 412 CA ALA A 30 -3.324 5.408 -1.698 1.00 0.08 C ATOM 413 C ALA A 30 -3.709 5.569 -3.147 1.00 0.09 C ATOM 414 O ALA A 30 -4.874 5.642 -3.476 1.00 0.10 O ATOM 415 CB ALA A 30 -3.157 6.749 -1.048 1.00 0.08 C ATOM 0 H ALA A 30 -1.272 5.242 -1.427 1.00 0.08 H new ATOM 0 HA ALA A 30 -4.118 4.865 -1.186 1.00 0.08 H new ATOM 0 HB1 ALA A 30 -4.089 7.309 -1.124 1.00 0.08 H new ATOM 0 HB2 ALA A 30 -2.899 6.615 0.003 1.00 0.08 H new ATOM 0 HB3 ALA A 30 -2.361 7.300 -1.549 1.00 0.08 H new ATOM 421 N ALA A 31 -2.705 5.638 -3.996 1.00 0.08 N ATOM 422 CA ALA A 31 -2.902 5.670 -5.432 1.00 0.09 C ATOM 423 C ALA A 31 -3.515 4.354 -5.865 1.00 0.09 C ATOM 424 O ALA A 31 -4.374 4.291 -6.744 1.00 0.11 O ATOM 425 CB ALA A 31 -1.566 5.908 -6.119 1.00 0.10 C ATOM 0 H ALA A 31 -1.727 5.674 -3.710 1.00 0.08 H new ATOM 0 HA ALA A 31 -3.575 6.481 -5.711 1.00 0.09 H new ATOM 0 HB1 ALA A 31 -1.711 5.932 -7.199 1.00 0.10 H new ATOM 0 HB2 ALA A 31 -1.151 6.860 -5.787 1.00 0.10 H new ATOM 0 HB3 ALA A 31 -0.877 5.103 -5.864 1.00 0.10 H new ATOM 431 N ALA A 32 -3.038 3.306 -5.224 1.00 0.09 N ATOM 432 CA ALA A 32 -3.593 1.977 -5.347 1.00 0.10 C ATOM 433 C ALA A 32 -5.055 1.948 -4.920 1.00 0.09 C ATOM 434 O ALA A 32 -5.908 1.434 -5.643 1.00 0.10 O ATOM 435 CB ALA A 32 -2.775 1.037 -4.490 1.00 0.12 C ATOM 0 H ALA A 32 -2.239 3.357 -4.592 1.00 0.09 H new ATOM 0 HA ALA A 32 -3.554 1.665 -6.391 1.00 0.10 H new ATOM 0 HB1 ALA A 32 -3.179 0.028 -4.570 1.00 0.12 H new ATOM 0 HB2 ALA A 32 -1.740 1.042 -4.831 1.00 0.12 H new ATOM 0 HB3 ALA A 32 -2.816 1.363 -3.451 1.00 0.12 H new ATOM 441 N THR A 33 -5.356 2.510 -3.755 1.00 0.08 N ATOM 442 CA THR A 33 -6.730 2.521 -3.282 1.00 0.07 C ATOM 443 C THR A 33 -7.541 3.575 -4.042 1.00 0.08 C ATOM 444 O THR A 33 -8.768 3.530 -4.099 1.00 0.10 O ATOM 445 CB THR A 33 -6.803 2.786 -1.769 1.00 0.08 C ATOM 446 OG1 THR A 33 -5.812 2.003 -1.089 1.00 0.09 O ATOM 447 CG2 THR A 33 -8.181 2.433 -1.230 1.00 0.09 C ATOM 0 H THR A 33 -4.681 2.955 -3.133 1.00 0.08 H new ATOM 0 HA THR A 33 -7.156 1.535 -3.469 1.00 0.07 H new ATOM 0 HB THR A 33 -6.616 3.846 -1.596 1.00 0.08 H new ATOM 0 HG1 THR A 33 -4.921 2.362 -1.284 1.00 0.09 H new ATOM 0 HG21 THR A 33 -8.213 2.627 -0.158 1.00 0.09 H new ATOM 0 HG22 THR A 33 -8.934 3.040 -1.732 1.00 0.09 H new ATOM 0 HG23 THR A 33 -8.384 1.378 -1.414 1.00 0.09 H new ATOM 455 N ALA A 34 -6.843 4.519 -4.640 1.00 0.08 N ATOM 456 CA ALA A 34 -7.474 5.488 -5.508 1.00 0.09 C ATOM 457 C ALA A 34 -7.941 4.797 -6.775 1.00 0.11 C ATOM 458 O ALA A 34 -8.930 5.189 -7.385 1.00 0.20 O ATOM 459 CB ALA A 34 -6.515 6.624 -5.818 1.00 0.10 C ATOM 0 H ALA A 34 -5.835 4.635 -4.539 1.00 0.08 H new ATOM 0 HA ALA A 34 -8.341 5.919 -5.007 1.00 0.09 H new ATOM 0 HB1 ALA A 34 -7.005 7.345 -6.472 1.00 0.10 H new ATOM 0 HB2 ALA A 34 -6.222 7.116 -4.891 1.00 0.10 H new ATOM 0 HB3 ALA A 34 -5.629 6.227 -6.314 1.00 0.10 H new ATOM 465 N THR A 35 -7.232 3.745 -7.140 1.00 0.11 N ATOM 466 CA THR A 35 -7.598 2.919 -8.257 1.00 0.12 C ATOM 467 C THR A 35 -8.805 2.045 -7.910 1.00 0.11 C ATOM 468 O THR A 35 -9.802 2.034 -8.636 1.00 0.14 O ATOM 469 CB THR A 35 -6.401 2.036 -8.659 1.00 0.16 C ATOM 470 OG1 THR A 35 -5.621 2.686 -9.670 1.00 0.22 O ATOM 471 CG2 THR A 35 -6.865 0.674 -9.126 1.00 0.17 C ATOM 0 H THR A 35 -6.383 3.445 -6.662 1.00 0.11 H new ATOM 0 HA THR A 35 -7.872 3.561 -9.095 1.00 0.12 H new ATOM 0 HB THR A 35 -5.772 1.889 -7.781 1.00 0.16 H new ATOM 0 HG1 THR A 35 -4.863 2.116 -9.915 1.00 0.22 H new ATOM 0 HG21 THR A 35 -6.001 0.071 -9.404 1.00 0.17 H new ATOM 0 HG22 THR A 35 -7.409 0.179 -8.321 1.00 0.17 H new ATOM 0 HG23 THR A 35 -7.520 0.789 -9.990 1.00 0.17 H new ATOM 479 N VAL A 36 -8.718 1.343 -6.778 1.00 0.10 N ATOM 480 CA VAL A 36 -9.736 0.370 -6.395 1.00 0.11 C ATOM 481 C VAL A 36 -11.124 0.996 -6.308 1.00 0.13 C ATOM 482 O VAL A 36 -12.123 0.337 -6.589 1.00 0.17 O ATOM 483 CB VAL A 36 -9.408 -0.323 -5.050 1.00 0.09 C ATOM 484 CG1 VAL A 36 -8.184 -1.205 -5.150 1.00 0.18 C ATOM 485 CG2 VAL A 36 -9.248 0.671 -3.937 1.00 0.16 C ATOM 0 H VAL A 36 -7.951 1.432 -6.112 1.00 0.10 H new ATOM 0 HA VAL A 36 -9.735 -0.380 -7.186 1.00 0.11 H new ATOM 0 HB VAL A 36 -10.261 -0.961 -4.816 1.00 0.09 H new ATOM 0 HG11 VAL A 36 -7.991 -1.671 -4.184 1.00 0.18 H new ATOM 0 HG12 VAL A 36 -8.353 -1.979 -5.899 1.00 0.18 H new ATOM 0 HG13 VAL A 36 -7.324 -0.602 -5.440 1.00 0.18 H new ATOM 0 HG21 VAL A 36 -9.019 0.145 -3.010 1.00 0.16 H new ATOM 0 HG22 VAL A 36 -8.435 1.357 -4.176 1.00 0.16 H new ATOM 0 HG23 VAL A 36 -10.174 1.233 -3.816 1.00 0.16 H new ATOM 495 N LEU A 37 -11.188 2.268 -5.938 1.00 0.12 N ATOM 496 CA LEU A 37 -12.469 2.944 -5.757 1.00 0.16 C ATOM 497 C LEU A 37 -12.777 3.898 -6.907 1.00 0.25 C ATOM 498 O LEU A 37 -13.771 4.624 -6.870 1.00 0.65 O ATOM 499 CB LEU A 37 -12.444 3.727 -4.454 1.00 0.15 C ATOM 500 CG LEU A 37 -11.750 3.014 -3.308 1.00 0.13 C ATOM 501 CD1 LEU A 37 -11.464 3.988 -2.187 1.00 0.18 C ATOM 502 CD2 LEU A 37 -12.589 1.846 -2.822 1.00 0.15 C ATOM 0 H LEU A 37 -10.372 2.852 -5.757 1.00 0.12 H new ATOM 0 HA LEU A 37 -13.248 2.182 -5.734 1.00 0.16 H new ATOM 0 HB2 LEU A 37 -11.946 4.681 -4.627 1.00 0.15 H new ATOM 0 HB3 LEU A 37 -13.469 3.951 -4.159 1.00 0.15 H new ATOM 0 HG LEU A 37 -10.800 2.615 -3.663 1.00 0.13 H new ATOM 0 HD11 LEU A 37 -10.966 3.466 -1.370 1.00 0.18 H new ATOM 0 HD12 LEU A 37 -10.819 4.786 -2.554 1.00 0.18 H new ATOM 0 HD13 LEU A 37 -12.401 4.415 -1.828 1.00 0.18 H new ATOM 0 HD21 LEU A 37 -12.076 1.346 -2.000 1.00 0.15 H new ATOM 0 HD22 LEU A 37 -13.556 2.211 -2.477 1.00 0.15 H new ATOM 0 HD23 LEU A 37 -12.738 1.140 -3.639 1.00 0.15 H new ATOM 514 N GLY A 38 -11.914 3.906 -7.915 1.00 0.43 N ATOM 515 CA GLY A 38 -12.106 4.781 -9.060 1.00 0.49 C ATOM 516 C GLY A 38 -12.013 6.258 -8.716 1.00 0.51 C ATOM 517 O GLY A 38 -12.679 7.087 -9.334 1.00 0.62 O ATOM 0 H GLY A 38 -11.080 3.320 -7.962 1.00 0.43 H new ATOM 0 HA2 GLY A 38 -11.359 4.545 -9.817 1.00 0.49 H new ATOM 0 HA3 GLY A 38 -13.082 4.580 -9.502 1.00 0.49 H new ATOM 521 N HIS A 39 -11.183 6.594 -7.739 1.00 0.57 N ATOM 522 CA HIS A 39 -11.000 7.987 -7.337 1.00 0.68 C ATOM 523 C HIS A 39 -9.813 8.609 -8.060 1.00 0.82 C ATOM 524 O HIS A 39 -9.787 9.817 -8.295 1.00 1.81 O ATOM 525 CB HIS A 39 -10.805 8.097 -5.822 1.00 0.65 C ATOM 526 CG HIS A 39 -12.088 8.138 -5.047 1.00 0.73 C ATOM 527 ND1 HIS A 39 -12.376 9.113 -4.113 1.00 1.09 N ATOM 528 CD2 HIS A 39 -13.160 7.310 -5.062 1.00 0.67 C ATOM 529 CE1 HIS A 39 -13.568 8.880 -3.592 1.00 1.15 C ATOM 530 NE2 HIS A 39 -14.063 7.792 -4.150 1.00 0.88 N ATOM 0 H HIS A 39 -10.625 5.925 -7.209 1.00 0.57 H new ATOM 0 HA HIS A 39 -11.902 8.533 -7.613 1.00 0.68 H new ATOM 0 HB2 HIS A 39 -10.212 7.249 -5.479 1.00 0.65 H new ATOM 0 HB3 HIS A 39 -10.231 8.997 -5.604 1.00 0.65 H new ATOM 0 HD2 HIS A 39 -13.281 6.432 -5.679 1.00 0.67 H new ATOM 0 HE1 HIS A 39 -14.055 9.479 -2.837 1.00 1.15 H new ATOM 0 HE2 HIS A 39 -14.970 7.377 -3.937 1.00 0.88 H new ATOM 539 N HIS A 40 -8.837 7.765 -8.400 1.00 0.53 N ATOM 540 CA HIS A 40 -7.618 8.170 -9.114 1.00 0.48 C ATOM 541 C HIS A 40 -6.677 8.987 -8.220 1.00 0.45 C ATOM 542 O HIS A 40 -5.473 8.742 -8.202 1.00 0.59 O ATOM 543 CB HIS A 40 -7.953 8.945 -10.397 1.00 0.58 C ATOM 544 CG HIS A 40 -6.769 9.196 -11.286 1.00 0.73 C ATOM 545 ND1 HIS A 40 -6.717 10.236 -12.188 1.00 1.35 N ATOM 546 CD2 HIS A 40 -5.602 8.521 -11.426 1.00 0.62 C ATOM 547 CE1 HIS A 40 -5.574 10.188 -12.846 1.00 1.46 C ATOM 548 NE2 HIS A 40 -4.879 9.158 -12.403 1.00 0.94 N ATOM 0 H HIS A 40 -8.868 6.768 -8.186 1.00 0.53 H new ATOM 0 HA HIS A 40 -7.097 7.255 -9.394 1.00 0.48 H new ATOM 0 HB2 HIS A 40 -8.705 8.390 -10.958 1.00 0.58 H new ATOM 0 HB3 HIS A 40 -8.400 9.901 -10.125 1.00 0.58 H new ATOM 0 HD2 HIS A 40 -5.298 7.645 -10.872 1.00 0.62 H new ATOM 0 HE1 HIS A 40 -5.260 10.876 -13.617 1.00 1.46 H new ATOM 0 HE2 HIS A 40 -3.955 8.880 -12.733 1.00 0.94 H new ATOM 557 N THR A 41 -7.221 9.944 -7.482 1.00 0.46 N ATOM 558 CA THR A 41 -6.421 10.768 -6.592 1.00 0.55 C ATOM 559 C THR A 41 -6.065 10.043 -5.297 1.00 0.37 C ATOM 560 O THR A 41 -6.943 9.596 -4.556 1.00 0.45 O ATOM 561 CB THR A 41 -7.143 12.058 -6.216 1.00 0.92 C ATOM 562 OG1 THR A 41 -8.549 11.929 -6.467 1.00 1.97 O ATOM 563 CG2 THR A 41 -6.580 13.252 -6.963 1.00 0.56 C ATOM 0 H THR A 41 -8.216 10.168 -7.483 1.00 0.46 H new ATOM 0 HA THR A 41 -5.511 10.994 -7.147 1.00 0.55 H new ATOM 0 HB THR A 41 -6.985 12.231 -5.152 1.00 0.92 H new ATOM 0 HG1 THR A 41 -9.003 12.762 -6.221 1.00 1.97 H new ATOM 0 HG21 THR A 41 -7.119 14.152 -6.669 1.00 0.56 H new ATOM 0 HG22 THR A 41 -5.523 13.367 -6.722 1.00 0.56 H new ATOM 0 HG23 THR A 41 -6.692 13.096 -8.036 1.00 0.56 H new ATOM 571 N PRO A 42 -4.767 9.950 -5.000 1.00 0.24 N ATOM 572 CA PRO A 42 -4.264 9.374 -3.754 1.00 0.27 C ATOM 573 C PRO A 42 -4.490 10.318 -2.582 1.00 0.40 C ATOM 574 O PRO A 42 -4.451 9.915 -1.423 1.00 0.50 O ATOM 575 CB PRO A 42 -2.760 9.193 -4.005 1.00 0.31 C ATOM 576 CG PRO A 42 -2.552 9.488 -5.455 1.00 0.29 C ATOM 577 CD PRO A 42 -3.681 10.385 -5.869 1.00 0.27 C ATOM 0 HA PRO A 42 -4.770 8.443 -3.499 1.00 0.27 H new ATOM 0 HB2 PRO A 42 -2.175 9.868 -3.381 1.00 0.31 H new ATOM 0 HB3 PRO A 42 -2.442 8.179 -3.763 1.00 0.31 H new ATOM 0 HG2 PRO A 42 -1.590 9.973 -5.619 1.00 0.29 H new ATOM 0 HG3 PRO A 42 -2.550 8.570 -6.042 1.00 0.29 H new ATOM 0 HD2 PRO A 42 -3.439 11.437 -5.719 1.00 0.27 H new ATOM 0 HD3 PRO A 42 -3.931 10.262 -6.923 1.00 0.27 H new ATOM 585 N GLU A 43 -4.721 11.585 -2.904 1.00 0.43 N ATOM 586 CA GLU A 43 -5.009 12.592 -1.894 1.00 0.55 C ATOM 587 C GLU A 43 -6.447 12.466 -1.426 1.00 0.52 C ATOM 588 O GLU A 43 -6.770 12.746 -0.273 1.00 0.61 O ATOM 589 CB GLU A 43 -4.751 13.983 -2.449 1.00 0.68 C ATOM 590 CG GLU A 43 -3.301 14.190 -2.799 1.00 0.69 C ATOM 591 CD GLU A 43 -3.009 15.575 -3.328 1.00 1.18 C ATOM 592 OE1 GLU A 43 -2.519 16.418 -2.550 1.00 1.38 O ATOM 593 OE2 GLU A 43 -3.260 15.826 -4.523 1.00 1.82 O ATOM 0 H GLU A 43 -4.714 11.939 -3.861 1.00 0.43 H new ATOM 0 HA GLU A 43 -4.350 12.433 -1.041 1.00 0.55 H new ATOM 0 HB2 GLU A 43 -5.364 14.139 -3.337 1.00 0.68 H new ATOM 0 HB3 GLU A 43 -5.057 14.729 -1.715 1.00 0.68 H new ATOM 0 HG2 GLU A 43 -2.691 14.010 -1.914 1.00 0.69 H new ATOM 0 HG3 GLU A 43 -3.005 13.453 -3.546 1.00 0.69 H new ATOM 600 N SER A 44 -7.302 12.038 -2.345 1.00 0.44 N ATOM 601 CA SER A 44 -8.694 11.764 -2.038 1.00 0.43 C ATOM 602 C SER A 44 -8.778 10.577 -1.079 1.00 0.35 C ATOM 603 O SER A 44 -9.687 10.475 -0.251 1.00 0.49 O ATOM 604 CB SER A 44 -9.450 11.468 -3.335 1.00 0.50 C ATOM 605 OG SER A 44 -10.828 11.216 -3.104 1.00 0.97 O ATOM 0 H SER A 44 -7.049 11.872 -3.319 1.00 0.44 H new ATOM 0 HA SER A 44 -9.149 12.631 -1.559 1.00 0.43 H new ATOM 0 HB2 SER A 44 -9.346 12.313 -4.016 1.00 0.50 H new ATOM 0 HB3 SER A 44 -9.001 10.605 -3.827 1.00 0.50 H new ATOM 0 HG SER A 44 -11.071 10.348 -3.489 1.00 0.97 H new ATOM 611 N ILE A 45 -7.799 9.695 -1.207 1.00 0.19 N ATOM 612 CA ILE A 45 -7.683 8.511 -0.373 1.00 0.13 C ATOM 613 C ILE A 45 -7.044 8.856 0.969 1.00 0.13 C ATOM 614 O ILE A 45 -5.822 8.814 1.111 1.00 0.19 O ATOM 615 CB ILE A 45 -6.826 7.452 -1.087 1.00 0.11 C ATOM 616 CG1 ILE A 45 -7.396 7.167 -2.474 1.00 0.12 C ATOM 617 CG2 ILE A 45 -6.720 6.166 -0.276 1.00 0.10 C ATOM 618 CD1 ILE A 45 -8.840 6.716 -2.474 1.00 0.11 C ATOM 0 H ILE A 45 -7.056 9.783 -1.900 1.00 0.19 H new ATOM 0 HA ILE A 45 -8.684 8.117 -0.196 1.00 0.13 H new ATOM 0 HB ILE A 45 -5.817 7.853 -1.190 1.00 0.11 H new ATOM 0 HG12 ILE A 45 -7.309 8.068 -3.082 1.00 0.12 H new ATOM 0 HG13 ILE A 45 -6.788 6.400 -2.953 1.00 0.12 H new ATOM 0 HG21 ILE A 45 -6.106 5.445 -0.816 1.00 0.10 H new ATOM 0 HG22 ILE A 45 -6.262 6.381 0.689 1.00 0.10 H new ATOM 0 HG23 ILE A 45 -7.716 5.751 -0.121 1.00 0.10 H new ATOM 0 HD11 ILE A 45 -9.165 6.536 -3.499 1.00 0.11 H new ATOM 0 HD12 ILE A 45 -8.934 5.796 -1.896 1.00 0.11 H new ATOM 0 HD13 ILE A 45 -9.463 7.491 -2.027 1.00 0.11 H new ATOM 630 N SER A 46 -7.864 9.218 1.943 1.00 0.11 N ATOM 631 CA SER A 46 -7.365 9.530 3.273 1.00 0.12 C ATOM 632 C SER A 46 -6.778 8.272 3.915 1.00 0.11 C ATOM 633 O SER A 46 -7.272 7.168 3.688 1.00 0.12 O ATOM 634 CB SER A 46 -8.489 10.099 4.129 1.00 0.16 C ATOM 635 OG SER A 46 -9.302 10.985 3.376 1.00 1.18 O ATOM 0 H SER A 46 -8.875 9.303 1.838 1.00 0.11 H new ATOM 0 HA SER A 46 -6.577 10.280 3.197 1.00 0.12 H new ATOM 0 HB2 SER A 46 -9.099 9.286 4.523 1.00 0.16 H new ATOM 0 HB3 SER A 46 -8.068 10.625 4.986 1.00 0.16 H new ATOM 0 HG SER A 46 -10.018 11.336 3.946 1.00 1.18 H new ATOM 641 N PRO A 47 -5.749 8.422 4.760 1.00 0.12 N ATOM 642 CA PRO A 47 -4.938 7.313 5.235 1.00 0.12 C ATOM 643 C PRO A 47 -5.447 6.749 6.537 1.00 0.10 C ATOM 644 O PRO A 47 -4.982 5.709 6.997 1.00 0.11 O ATOM 645 CB PRO A 47 -3.597 7.993 5.455 1.00 0.15 C ATOM 646 CG PRO A 47 -3.952 9.359 5.947 1.00 0.17 C ATOM 647 CD PRO A 47 -5.326 9.679 5.397 1.00 0.16 C ATOM 0 HA PRO A 47 -4.925 6.468 4.546 1.00 0.12 H new ATOM 0 HB2 PRO A 47 -2.992 7.453 6.183 1.00 0.15 H new ATOM 0 HB3 PRO A 47 -3.019 8.040 4.532 1.00 0.15 H new ATOM 0 HG2 PRO A 47 -3.955 9.389 7.037 1.00 0.17 H new ATOM 0 HG3 PRO A 47 -3.220 10.093 5.610 1.00 0.17 H new ATOM 0 HD2 PRO A 47 -6.014 9.978 6.188 1.00 0.16 H new ATOM 0 HD3 PRO A 47 -5.289 10.499 4.679 1.00 0.16 H new ATOM 655 N ALA A 48 -6.406 7.434 7.120 1.00 0.12 N ATOM 656 CA ALA A 48 -6.855 7.098 8.439 1.00 0.13 C ATOM 657 C ALA A 48 -8.365 6.879 8.469 1.00 0.13 C ATOM 658 O ALA A 48 -8.949 6.594 9.514 1.00 0.17 O ATOM 659 CB ALA A 48 -6.402 8.183 9.394 1.00 0.18 C ATOM 0 H ALA A 48 -6.886 8.227 6.695 1.00 0.12 H new ATOM 0 HA ALA A 48 -6.413 6.153 8.755 1.00 0.13 H new ATOM 0 HB1 ALA A 48 -6.736 7.942 10.403 1.00 0.18 H new ATOM 0 HB2 ALA A 48 -5.314 8.251 9.378 1.00 0.18 H new ATOM 0 HB3 ALA A 48 -6.829 9.138 9.089 1.00 0.18 H new ATOM 665 N THR A 49 -8.979 6.999 7.296 1.00 0.12 N ATOM 666 CA THR A 49 -10.394 6.738 7.122 1.00 0.12 C ATOM 667 C THR A 49 -10.691 5.250 7.277 1.00 0.10 C ATOM 668 O THR A 49 -11.675 4.874 7.915 1.00 0.10 O ATOM 669 CB THR A 49 -10.842 7.200 5.725 1.00 0.14 C ATOM 670 OG1 THR A 49 -10.975 8.626 5.691 1.00 0.20 O ATOM 671 CG2 THR A 49 -12.137 6.533 5.319 1.00 0.13 C ATOM 0 H THR A 49 -8.503 7.281 6.439 1.00 0.12 H new ATOM 0 HA THR A 49 -10.940 7.290 7.887 1.00 0.12 H new ATOM 0 HB THR A 49 -10.076 6.904 5.008 1.00 0.14 H new ATOM 0 HG1 THR A 49 -11.259 8.907 4.796 1.00 0.20 H new ATOM 0 HG21 THR A 49 -12.429 6.879 4.327 1.00 0.13 H new ATOM 0 HG22 THR A 49 -11.999 5.452 5.300 1.00 0.13 H new ATOM 0 HG23 THR A 49 -12.918 6.787 6.036 1.00 0.13 H new ATOM 679 N ALA A 50 -9.793 4.448 6.684 1.00 0.09 N ATOM 680 CA ALA A 50 -9.831 2.980 6.661 1.00 0.08 C ATOM 681 C ALA A 50 -10.350 2.469 5.340 1.00 0.08 C ATOM 682 O ALA A 50 -11.278 3.019 4.765 1.00 0.09 O ATOM 683 CB ALA A 50 -10.629 2.382 7.804 1.00 0.09 C ATOM 0 H ALA A 50 -8.986 4.823 6.186 1.00 0.09 H new ATOM 0 HA ALA A 50 -8.799 2.654 6.791 1.00 0.08 H new ATOM 0 HB1 ALA A 50 -10.616 1.295 7.727 1.00 0.09 H new ATOM 0 HB2 ALA A 50 -10.187 2.684 8.753 1.00 0.09 H new ATOM 0 HB3 ALA A 50 -11.658 2.737 7.754 1.00 0.09 H new ATOM 689 N PHE A 51 -9.705 1.415 4.867 1.00 0.08 N ATOM 690 CA PHE A 51 -10.099 0.723 3.648 1.00 0.09 C ATOM 691 C PHE A 51 -11.554 0.334 3.694 1.00 0.10 C ATOM 692 O PHE A 51 -12.284 0.498 2.719 1.00 0.10 O ATOM 693 CB PHE A 51 -9.253 -0.522 3.478 1.00 0.11 C ATOM 694 CG PHE A 51 -7.835 -0.197 3.196 1.00 0.11 C ATOM 695 CD1 PHE A 51 -7.512 0.687 2.187 1.00 0.11 C ATOM 696 CD2 PHE A 51 -6.832 -0.761 3.942 1.00 0.12 C ATOM 697 CE1 PHE A 51 -6.202 1.005 1.929 1.00 0.12 C ATOM 698 CE2 PHE A 51 -5.519 -0.453 3.692 1.00 0.13 C ATOM 699 CZ PHE A 51 -5.200 0.435 2.680 1.00 0.13 C ATOM 0 H PHE A 51 -8.886 1.011 5.321 1.00 0.08 H new ATOM 0 HA PHE A 51 -9.947 1.398 2.805 1.00 0.09 H new ATOM 0 HB2 PHE A 51 -9.313 -1.127 4.383 1.00 0.11 H new ATOM 0 HB3 PHE A 51 -9.655 -1.125 2.664 1.00 0.11 H new ATOM 0 HD1 PHE A 51 -8.297 1.133 1.595 1.00 0.11 H new ATOM 0 HD2 PHE A 51 -7.078 -1.454 4.733 1.00 0.12 H new ATOM 0 HE1 PHE A 51 -5.959 1.700 1.139 1.00 0.12 H new ATOM 0 HE2 PHE A 51 -4.736 -0.903 4.284 1.00 0.13 H new ATOM 0 HZ PHE A 51 -4.167 0.680 2.480 1.00 0.13 H new ATOM 709 N LYS A 52 -11.959 -0.186 4.839 1.00 0.11 N ATOM 710 CA LYS A 52 -13.343 -0.544 5.079 1.00 0.13 C ATOM 711 C LYS A 52 -14.250 0.622 4.750 1.00 0.12 C ATOM 712 O LYS A 52 -15.304 0.477 4.131 1.00 0.15 O ATOM 713 CB LYS A 52 -13.545 -0.861 6.552 1.00 0.17 C ATOM 714 CG LYS A 52 -12.669 -1.979 7.083 1.00 0.53 C ATOM 715 CD LYS A 52 -12.972 -2.319 8.540 1.00 0.64 C ATOM 716 CE LYS A 52 -12.608 -1.203 9.512 1.00 0.59 C ATOM 717 NZ LYS A 52 -13.559 -0.050 9.491 1.00 1.22 N ATOM 0 H LYS A 52 -11.338 -0.371 5.627 1.00 0.11 H new ATOM 0 HA LYS A 52 -13.580 -1.406 4.455 1.00 0.13 H new ATOM 0 HB2 LYS A 52 -13.353 0.041 7.134 1.00 0.17 H new ATOM 0 HB3 LYS A 52 -14.589 -1.128 6.713 1.00 0.17 H new ATOM 0 HG2 LYS A 52 -12.809 -2.869 6.469 1.00 0.53 H new ATOM 0 HG3 LYS A 52 -11.622 -1.690 6.991 1.00 0.53 H new ATOM 0 HD2 LYS A 52 -14.034 -2.545 8.639 1.00 0.64 H new ATOM 0 HD3 LYS A 52 -12.427 -3.222 8.815 1.00 0.64 H new ATOM 0 HE2 LYS A 52 -12.570 -1.612 10.522 1.00 0.59 H new ATOM 0 HE3 LYS A 52 -11.607 -0.841 9.276 1.00 0.59 H new ATOM 0 HZ1 LYS A 52 -13.719 0.286 10.462 1.00 1.22 H new ATOM 0 HZ2 LYS A 52 -13.158 0.721 8.920 1.00 1.22 H new ATOM 0 HZ3 LYS A 52 -14.463 -0.353 9.076 1.00 1.22 H new ATOM 731 N ASP A 53 -13.806 1.780 5.191 1.00 0.11 N ATOM 732 CA ASP A 53 -14.581 2.995 5.110 1.00 0.11 C ATOM 733 C ASP A 53 -14.375 3.672 3.763 1.00 0.10 C ATOM 734 O ASP A 53 -15.037 4.654 3.428 1.00 0.18 O ATOM 735 CB ASP A 53 -14.172 3.924 6.252 1.00 0.12 C ATOM 736 CG ASP A 53 -14.547 3.357 7.606 1.00 0.58 C ATOM 737 OD1 ASP A 53 -13.875 2.408 8.071 1.00 1.14 O ATOM 738 OD2 ASP A 53 -15.520 3.853 8.212 1.00 0.67 O ATOM 0 H ASP A 53 -12.888 1.903 5.619 1.00 0.11 H new ATOM 0 HA ASP A 53 -15.641 2.757 5.202 1.00 0.11 H new ATOM 0 HB2 ASP A 53 -13.096 4.092 6.215 1.00 0.12 H new ATOM 0 HB3 ASP A 53 -14.651 4.894 6.120 1.00 0.12 H new ATOM 743 N LEU A 54 -13.448 3.125 2.998 1.00 0.08 N ATOM 744 CA LEU A 54 -13.102 3.648 1.689 1.00 0.08 C ATOM 745 C LEU A 54 -13.901 2.954 0.603 1.00 0.08 C ATOM 746 O LEU A 54 -14.166 3.529 -0.451 1.00 0.10 O ATOM 747 CB LEU A 54 -11.605 3.456 1.446 1.00 0.08 C ATOM 748 CG LEU A 54 -10.710 4.515 2.082 1.00 0.09 C ATOM 749 CD1 LEU A 54 -9.261 4.084 2.044 1.00 0.10 C ATOM 750 CD2 LEU A 54 -10.878 5.840 1.372 1.00 0.12 C ATOM 0 H LEU A 54 -12.911 2.301 3.269 1.00 0.08 H new ATOM 0 HA LEU A 54 -13.343 4.711 1.659 1.00 0.08 H new ATOM 0 HB2 LEU A 54 -11.312 2.478 1.827 1.00 0.08 H new ATOM 0 HB3 LEU A 54 -11.424 3.447 0.371 1.00 0.08 H new ATOM 0 HG LEU A 54 -11.008 4.633 3.124 1.00 0.09 H new ATOM 0 HD11 LEU A 54 -8.640 4.854 2.503 1.00 0.10 H new ATOM 0 HD12 LEU A 54 -9.145 3.149 2.593 1.00 0.10 H new ATOM 0 HD13 LEU A 54 -8.952 3.938 1.009 1.00 0.10 H new ATOM 0 HD21 LEU A 54 -10.233 6.586 1.837 1.00 0.12 H new ATOM 0 HD22 LEU A 54 -10.605 5.728 0.323 1.00 0.12 H new ATOM 0 HD23 LEU A 54 -11.917 6.162 1.444 1.00 0.12 H new ATOM 762 N GLY A 55 -14.298 1.722 0.871 1.00 0.09 N ATOM 763 CA GLY A 55 -15.027 0.960 -0.114 1.00 0.10 C ATOM 764 C GLY A 55 -14.383 -0.379 -0.360 1.00 0.10 C ATOM 765 O GLY A 55 -14.850 -1.160 -1.187 1.00 0.15 O ATOM 0 H GLY A 55 -14.128 1.237 1.752 1.00 0.09 H new ATOM 0 HA2 GLY A 55 -16.054 0.815 0.223 1.00 0.10 H new ATOM 0 HA3 GLY A 55 -15.074 1.520 -1.048 1.00 0.10 H new ATOM 769 N ILE A 56 -13.298 -0.637 0.357 1.00 0.09 N ATOM 770 CA ILE A 56 -12.628 -1.919 0.282 1.00 0.09 C ATOM 771 C ILE A 56 -13.546 -3.010 0.832 1.00 0.14 C ATOM 772 O ILE A 56 -14.018 -2.926 1.968 1.00 0.32 O ATOM 773 CB ILE A 56 -11.294 -1.918 1.062 1.00 0.10 C ATOM 774 CG1 ILE A 56 -10.204 -1.091 0.373 1.00 0.11 C ATOM 775 CG2 ILE A 56 -10.819 -3.321 1.294 1.00 0.15 C ATOM 776 CD1 ILE A 56 -10.311 -1.017 -1.132 1.00 0.10 C ATOM 0 H ILE A 56 -12.866 0.029 0.997 1.00 0.09 H new ATOM 0 HA ILE A 56 -12.399 -2.115 -0.766 1.00 0.09 H new ATOM 0 HB ILE A 56 -11.492 -1.442 2.022 1.00 0.10 H new ATOM 0 HG12 ILE A 56 -10.230 -0.078 0.774 1.00 0.11 H new ATOM 0 HG13 ILE A 56 -9.232 -1.511 0.632 1.00 0.11 H new ATOM 0 HG21 ILE A 56 -9.878 -3.300 1.845 1.00 0.15 H new ATOM 0 HG22 ILE A 56 -11.565 -3.867 1.871 1.00 0.15 H new ATOM 0 HG23 ILE A 56 -10.667 -3.817 0.335 1.00 0.15 H new ATOM 0 HD11 ILE A 56 -9.495 -0.410 -1.525 1.00 0.10 H new ATOM 0 HD12 ILE A 56 -10.251 -2.021 -1.551 1.00 0.10 H new ATOM 0 HD13 ILE A 56 -11.264 -0.566 -1.407 1.00 0.10 H new ATOM 788 N ASP A 57 -13.795 -4.028 0.024 1.00 0.19 N ATOM 789 CA ASP A 57 -14.743 -5.073 0.389 1.00 0.28 C ATOM 790 C ASP A 57 -14.043 -6.411 0.614 1.00 0.28 C ATOM 791 O ASP A 57 -14.386 -7.138 1.542 1.00 0.67 O ATOM 792 CB ASP A 57 -15.809 -5.228 -0.705 1.00 0.52 C ATOM 793 CG ASP A 57 -15.229 -5.704 -2.026 1.00 1.48 C ATOM 794 OD1 ASP A 57 -14.749 -4.858 -2.811 1.00 2.34 O ATOM 795 OD2 ASP A 57 -15.236 -6.923 -2.280 1.00 1.95 O ATOM 0 H ASP A 57 -13.356 -4.155 -0.888 1.00 0.19 H new ATOM 0 HA ASP A 57 -15.218 -4.775 1.324 1.00 0.28 H new ATOM 0 HB2 ASP A 57 -16.567 -5.936 -0.370 1.00 0.52 H new ATOM 0 HB3 ASP A 57 -16.310 -4.272 -0.856 1.00 0.52 H new ATOM 800 N SER A 58 -13.019 -6.661 -0.203 1.00 0.23 N ATOM 801 CA SER A 58 -12.390 -7.979 -0.385 1.00 0.26 C ATOM 802 C SER A 58 -11.826 -8.062 -1.799 1.00 0.19 C ATOM 803 O SER A 58 -10.635 -8.283 -1.991 1.00 0.17 O ATOM 804 CB SER A 58 -13.356 -9.142 -0.170 1.00 0.36 C ATOM 805 OG SER A 58 -13.473 -9.471 1.206 1.00 1.25 O ATOM 0 H SER A 58 -12.589 -5.934 -0.775 1.00 0.23 H new ATOM 0 HA SER A 58 -11.607 -8.069 0.368 1.00 0.26 H new ATOM 0 HB2 SER A 58 -14.337 -8.881 -0.568 1.00 0.36 H new ATOM 0 HB3 SER A 58 -13.008 -10.013 -0.726 1.00 0.36 H new ATOM 0 HG SER A 58 -13.852 -8.710 1.693 1.00 1.25 H new ATOM 811 N LEU A 59 -12.695 -7.844 -2.785 1.00 0.22 N ATOM 812 CA LEU A 59 -12.287 -7.789 -4.189 1.00 0.20 C ATOM 813 C LEU A 59 -11.299 -6.670 -4.398 1.00 0.14 C ATOM 814 O LEU A 59 -10.241 -6.853 -4.994 1.00 0.14 O ATOM 815 CB LEU A 59 -13.497 -7.531 -5.079 1.00 0.23 C ATOM 816 CG LEU A 59 -14.408 -8.723 -5.324 1.00 0.30 C ATOM 817 CD1 LEU A 59 -15.660 -8.250 -6.028 1.00 1.12 C ATOM 818 CD2 LEU A 59 -13.697 -9.785 -6.151 1.00 1.18 C ATOM 0 H LEU A 59 -13.694 -7.702 -2.636 1.00 0.22 H new ATOM 0 HA LEU A 59 -11.831 -8.744 -4.448 1.00 0.20 H new ATOM 0 HB2 LEU A 59 -14.089 -6.732 -4.632 1.00 0.23 H new ATOM 0 HB3 LEU A 59 -13.143 -7.165 -6.043 1.00 0.23 H new ATOM 0 HG LEU A 59 -14.677 -9.173 -4.368 1.00 0.30 H new ATOM 0 HD11 LEU A 59 -16.319 -9.099 -6.208 1.00 1.12 H new ATOM 0 HD12 LEU A 59 -16.173 -7.518 -5.405 1.00 1.12 H new ATOM 0 HD13 LEU A 59 -15.391 -7.792 -6.980 1.00 1.12 H new ATOM 0 HD21 LEU A 59 -14.368 -10.629 -6.314 1.00 1.18 H new ATOM 0 HD22 LEU A 59 -13.405 -9.362 -7.112 1.00 1.18 H new ATOM 0 HD23 LEU A 59 -12.808 -10.125 -5.620 1.00 1.18 H new ATOM 830 N THR A 60 -11.649 -5.512 -3.883 1.00 0.12 N ATOM 831 CA THR A 60 -10.798 -4.348 -3.999 1.00 0.10 C ATOM 832 C THR A 60 -9.716 -4.370 -2.942 1.00 0.09 C ATOM 833 O THR A 60 -8.751 -3.626 -3.019 1.00 0.10 O ATOM 834 CB THR A 60 -11.609 -3.063 -3.905 1.00 0.12 C ATOM 835 OG1 THR A 60 -12.618 -3.202 -2.894 1.00 0.16 O ATOM 836 CG2 THR A 60 -12.228 -2.761 -5.257 1.00 0.16 C ATOM 0 H THR A 60 -12.520 -5.351 -3.378 1.00 0.12 H new ATOM 0 HA THR A 60 -10.324 -4.377 -4.980 1.00 0.10 H new ATOM 0 HB THR A 60 -10.961 -2.232 -3.627 1.00 0.12 H new ATOM 0 HG1 THR A 60 -13.334 -3.785 -3.224 1.00 0.16 H new ATOM 0 HG21 THR A 60 -12.810 -1.841 -5.194 1.00 0.16 H new ATOM 0 HG22 THR A 60 -11.439 -2.641 -6.000 1.00 0.16 H new ATOM 0 HG23 THR A 60 -12.880 -3.583 -5.550 1.00 0.16 H new ATOM 844 N ALA A 61 -9.884 -5.239 -1.963 1.00 0.09 N ATOM 845 CA ALA A 61 -8.835 -5.486 -0.996 1.00 0.09 C ATOM 846 C ALA A 61 -7.755 -6.334 -1.641 1.00 0.09 C ATOM 847 O ALA A 61 -6.566 -6.154 -1.390 1.00 0.12 O ATOM 848 CB ALA A 61 -9.395 -6.170 0.241 1.00 0.10 C ATOM 0 H ALA A 61 -10.734 -5.783 -1.818 1.00 0.09 H new ATOM 0 HA ALA A 61 -8.403 -4.536 -0.679 1.00 0.09 H new ATOM 0 HB1 ALA A 61 -8.590 -6.347 0.955 1.00 0.10 H new ATOM 0 HB2 ALA A 61 -10.152 -5.533 0.698 1.00 0.10 H new ATOM 0 HB3 ALA A 61 -9.845 -7.122 -0.042 1.00 0.10 H new ATOM 854 N LEU A 62 -8.184 -7.256 -2.494 1.00 0.10 N ATOM 855 CA LEU A 62 -7.270 -8.094 -3.230 1.00 0.11 C ATOM 856 C LEU A 62 -6.705 -7.329 -4.418 1.00 0.11 C ATOM 857 O LEU A 62 -5.547 -7.489 -4.771 1.00 0.13 O ATOM 858 CB LEU A 62 -7.990 -9.340 -3.721 1.00 0.14 C ATOM 859 CG LEU A 62 -7.162 -10.631 -3.751 1.00 0.20 C ATOM 860 CD1 LEU A 62 -5.699 -10.357 -4.074 1.00 0.53 C ATOM 861 CD2 LEU A 62 -7.288 -11.362 -2.431 1.00 0.52 C ATOM 0 H LEU A 62 -9.169 -7.436 -2.688 1.00 0.10 H new ATOM 0 HA LEU A 62 -6.453 -8.388 -2.571 1.00 0.11 H new ATOM 0 HB2 LEU A 62 -8.861 -9.506 -3.086 1.00 0.14 H new ATOM 0 HB3 LEU A 62 -8.361 -9.147 -4.727 1.00 0.14 H new ATOM 0 HG LEU A 62 -7.557 -11.262 -4.547 1.00 0.20 H new ATOM 0 HD11 LEU A 62 -5.147 -11.297 -4.086 1.00 0.53 H new ATOM 0 HD12 LEU A 62 -5.625 -9.881 -5.052 1.00 0.53 H new ATOM 0 HD13 LEU A 62 -5.276 -9.697 -3.316 1.00 0.53 H new ATOM 0 HD21 LEU A 62 -6.696 -12.277 -2.464 1.00 0.52 H new ATOM 0 HD22 LEU A 62 -6.925 -10.724 -1.625 1.00 0.52 H new ATOM 0 HD23 LEU A 62 -8.334 -11.613 -2.252 1.00 0.52 H new ATOM 873 N GLU A 63 -7.519 -6.508 -5.059 1.00 0.10 N ATOM 874 CA GLU A 63 -7.048 -5.663 -6.124 1.00 0.11 C ATOM 875 C GLU A 63 -6.101 -4.607 -5.556 1.00 0.10 C ATOM 876 O GLU A 63 -5.124 -4.214 -6.200 1.00 0.12 O ATOM 877 CB GLU A 63 -8.273 -5.057 -6.802 1.00 0.14 C ATOM 878 CG GLU A 63 -8.018 -3.755 -7.492 1.00 0.41 C ATOM 879 CD GLU A 63 -7.203 -3.907 -8.762 1.00 0.59 C ATOM 880 OE1 GLU A 63 -6.082 -3.368 -8.827 1.00 0.72 O ATOM 881 OE2 GLU A 63 -7.685 -4.575 -9.702 1.00 0.83 O ATOM 0 H GLU A 63 -8.514 -6.414 -4.853 1.00 0.10 H new ATOM 0 HA GLU A 63 -6.479 -6.221 -6.868 1.00 0.11 H new ATOM 0 HB2 GLU A 63 -8.660 -5.770 -7.530 1.00 0.14 H new ATOM 0 HB3 GLU A 63 -9.052 -4.911 -6.054 1.00 0.14 H new ATOM 0 HG2 GLU A 63 -8.971 -3.285 -7.733 1.00 0.41 H new ATOM 0 HG3 GLU A 63 -7.495 -3.085 -6.810 1.00 0.41 H new ATOM 888 N LEU A 64 -6.377 -4.179 -4.324 1.00 0.09 N ATOM 889 CA LEU A 64 -5.441 -3.356 -3.575 1.00 0.09 C ATOM 890 C LEU A 64 -4.132 -4.105 -3.449 1.00 0.12 C ATOM 891 O LEU A 64 -3.042 -3.576 -3.671 1.00 0.17 O ATOM 892 CB LEU A 64 -5.973 -3.080 -2.167 1.00 0.12 C ATOM 893 CG LEU A 64 -5.999 -1.619 -1.761 1.00 0.17 C ATOM 894 CD1 LEU A 64 -6.547 -1.484 -0.350 1.00 0.43 C ATOM 895 CD2 LEU A 64 -4.602 -1.036 -1.869 1.00 0.44 C ATOM 0 H LEU A 64 -7.243 -4.391 -3.828 1.00 0.09 H new ATOM 0 HA LEU A 64 -5.305 -2.410 -4.099 1.00 0.09 H new ATOM 0 HB2 LEU A 64 -6.985 -3.479 -2.094 1.00 0.12 H new ATOM 0 HB3 LEU A 64 -5.361 -3.629 -1.451 1.00 0.12 H new ATOM 0 HG LEU A 64 -6.654 -1.062 -2.431 1.00 0.17 H new ATOM 0 HD11 LEU A 64 -6.563 -0.432 -0.065 1.00 0.43 H new ATOM 0 HD12 LEU A 64 -7.560 -1.885 -0.313 1.00 0.43 H new ATOM 0 HD13 LEU A 64 -5.912 -2.038 0.341 1.00 0.43 H new ATOM 0 HD21 LEU A 64 -4.622 0.014 -1.577 1.00 0.44 H new ATOM 0 HD22 LEU A 64 -3.928 -1.583 -1.210 1.00 0.44 H new ATOM 0 HD23 LEU A 64 -4.251 -1.120 -2.898 1.00 0.44 H new ATOM 907 N ARG A 65 -4.294 -5.365 -3.121 1.00 0.12 N ATOM 908 CA ARG A 65 -3.186 -6.277 -2.881 1.00 0.15 C ATOM 909 C ARG A 65 -2.388 -6.459 -4.163 1.00 0.16 C ATOM 910 O ARG A 65 -1.162 -6.366 -4.170 1.00 0.19 O ATOM 911 CB ARG A 65 -3.729 -7.624 -2.371 1.00 0.18 C ATOM 912 CG ARG A 65 -2.663 -8.619 -1.919 1.00 0.33 C ATOM 913 CD ARG A 65 -2.059 -9.408 -3.073 1.00 0.43 C ATOM 914 NE ARG A 65 -0.995 -10.301 -2.616 1.00 0.78 N ATOM 915 CZ ARG A 65 -0.171 -10.967 -3.423 1.00 1.35 C ATOM 916 NH1 ARG A 65 -0.327 -10.912 -4.738 1.00 1.63 N ATOM 917 NH2 ARG A 65 0.798 -11.708 -2.904 1.00 1.72 N ATOM 0 H ARG A 65 -5.211 -5.798 -3.010 1.00 0.12 H new ATOM 0 HA ARG A 65 -2.523 -5.863 -2.121 1.00 0.15 H new ATOM 0 HB2 ARG A 65 -4.405 -7.434 -1.537 1.00 0.18 H new ATOM 0 HB3 ARG A 65 -4.321 -8.083 -3.163 1.00 0.18 H new ATOM 0 HG2 ARG A 65 -1.870 -8.082 -1.399 1.00 0.33 H new ATOM 0 HG3 ARG A 65 -3.102 -9.313 -1.202 1.00 0.33 H new ATOM 0 HD2 ARG A 65 -2.839 -9.991 -3.563 1.00 0.43 H new ATOM 0 HD3 ARG A 65 -1.661 -8.718 -3.817 1.00 0.43 H new ATOM 0 HE ARG A 65 -0.876 -10.422 -1.610 1.00 0.78 H new ATOM 0 HH11 ARG A 65 -1.083 -10.357 -5.139 1.00 1.63 H new ATOM 0 HH12 ARG A 65 0.309 -11.425 -5.349 1.00 1.63 H new ATOM 0 HH21 ARG A 65 0.909 -11.766 -1.892 1.00 1.72 H new ATOM 0 HH22 ARG A 65 1.432 -12.220 -3.517 1.00 1.72 H new ATOM 931 N ASN A 66 -3.118 -6.711 -5.236 1.00 0.14 N ATOM 932 CA ASN A 66 -2.554 -6.869 -6.567 1.00 0.16 C ATOM 933 C ASN A 66 -1.682 -5.683 -6.951 1.00 0.16 C ATOM 934 O ASN A 66 -0.590 -5.862 -7.484 1.00 0.21 O ATOM 935 CB ASN A 66 -3.680 -7.043 -7.589 1.00 0.20 C ATOM 936 CG ASN A 66 -3.985 -8.488 -7.893 1.00 0.32 C ATOM 937 OD1 ASN A 66 -3.374 -9.093 -8.774 1.00 0.83 O ATOM 938 ND2 ASN A 66 -4.944 -9.050 -7.186 1.00 0.34 N ATOM 0 H ASN A 66 -4.132 -6.813 -5.208 1.00 0.14 H new ATOM 0 HA ASN A 66 -1.923 -7.758 -6.561 1.00 0.16 H new ATOM 0 HB2 ASN A 66 -4.581 -6.559 -7.213 1.00 0.20 H new ATOM 0 HB3 ASN A 66 -3.406 -6.534 -8.513 1.00 0.20 H new ATOM 0 HD21 ASN A 66 -5.204 -10.021 -7.360 1.00 0.34 H new ATOM 0 HD22 ASN A 66 -5.426 -8.514 -6.464 1.00 0.34 H new ATOM 945 N THR A 67 -2.147 -4.473 -6.660 1.00 0.14 N ATOM 946 CA THR A 67 -1.385 -3.289 -7.012 1.00 0.15 C ATOM 947 C THR A 67 -0.182 -3.140 -6.095 1.00 0.16 C ATOM 948 O THR A 67 0.951 -2.992 -6.553 1.00 0.21 O ATOM 949 CB THR A 67 -2.238 -2.014 -6.935 1.00 0.17 C ATOM 950 OG1 THR A 67 -3.373 -2.124 -7.806 1.00 0.22 O ATOM 951 CG2 THR A 67 -1.414 -0.787 -7.307 1.00 0.19 C ATOM 0 H THR A 67 -3.033 -4.291 -6.189 1.00 0.14 H new ATOM 0 HA THR A 67 -1.053 -3.418 -8.042 1.00 0.15 H new ATOM 0 HB THR A 67 -2.585 -1.898 -5.908 1.00 0.17 H new ATOM 0 HG1 THR A 67 -4.017 -2.758 -7.426 1.00 0.22 H new ATOM 0 HG21 THR A 67 -2.039 0.104 -7.245 1.00 0.19 H new ATOM 0 HG22 THR A 67 -0.575 -0.690 -6.618 1.00 0.19 H new ATOM 0 HG23 THR A 67 -1.038 -0.896 -8.324 1.00 0.19 H new ATOM 959 N LEU A 68 -0.434 -3.196 -4.799 1.00 0.17 N ATOM 960 CA LEU A 68 0.615 -3.013 -3.809 1.00 0.20 C ATOM 961 C LEU A 68 1.739 -4.009 -3.985 1.00 0.20 C ATOM 962 O LEU A 68 2.897 -3.619 -4.104 1.00 0.23 O ATOM 963 CB LEU A 68 0.059 -3.141 -2.399 1.00 0.30 C ATOM 964 CG LEU A 68 -0.856 -2.014 -1.952 1.00 0.79 C ATOM 965 CD1 LEU A 68 -0.799 -1.878 -0.449 1.00 1.38 C ATOM 966 CD2 LEU A 68 -0.480 -0.705 -2.618 1.00 1.40 C ATOM 0 H LEU A 68 -1.359 -3.367 -4.406 1.00 0.17 H new ATOM 0 HA LEU A 68 1.012 -2.009 -3.959 1.00 0.20 H new ATOM 0 HB2 LEU A 68 -0.489 -4.081 -2.327 1.00 0.30 H new ATOM 0 HB3 LEU A 68 0.895 -3.205 -1.702 1.00 0.30 H new ATOM 0 HG LEU A 68 -1.875 -2.257 -2.252 1.00 0.79 H new ATOM 0 HD11 LEU A 68 -1.457 -1.069 -0.132 1.00 1.38 H new ATOM 0 HD12 LEU A 68 -1.122 -2.811 0.013 1.00 1.38 H new ATOM 0 HD13 LEU A 68 0.223 -1.656 -0.142 1.00 1.38 H new ATOM 0 HD21 LEU A 68 -1.153 0.082 -2.278 1.00 1.40 H new ATOM 0 HD22 LEU A 68 0.545 -0.445 -2.356 1.00 1.40 H new ATOM 0 HD23 LEU A 68 -0.562 -0.810 -3.700 1.00 1.40 H new ATOM 978 N THR A 69 1.403 -5.289 -3.988 1.00 0.22 N ATOM 979 CA THR A 69 2.399 -6.336 -4.112 1.00 0.25 C ATOM 980 C THR A 69 3.202 -6.172 -5.402 1.00 0.25 C ATOM 981 O THR A 69 4.354 -6.589 -5.484 1.00 0.33 O ATOM 982 CB THR A 69 1.727 -7.733 -4.070 1.00 0.34 C ATOM 983 OG1 THR A 69 2.646 -8.720 -3.597 1.00 1.01 O ATOM 984 CG2 THR A 69 1.207 -8.146 -5.440 1.00 0.65 C ATOM 0 H THR A 69 0.444 -5.627 -3.906 1.00 0.22 H new ATOM 0 HA THR A 69 3.085 -6.253 -3.269 1.00 0.25 H new ATOM 0 HB THR A 69 0.882 -7.663 -3.385 1.00 0.34 H new ATOM 0 HG1 THR A 69 3.550 -8.499 -3.904 1.00 1.01 H new ATOM 0 HG21 THR A 69 0.743 -9.130 -5.372 1.00 0.65 H new ATOM 0 HG22 THR A 69 0.470 -7.420 -5.783 1.00 0.65 H new ATOM 0 HG23 THR A 69 2.035 -8.184 -6.147 1.00 0.65 H new ATOM 992 N HIS A 70 2.591 -5.538 -6.396 1.00 0.21 N ATOM 993 CA HIS A 70 3.246 -5.307 -7.670 1.00 0.22 C ATOM 994 C HIS A 70 4.219 -4.144 -7.576 1.00 0.21 C ATOM 995 O HIS A 70 5.271 -4.166 -8.194 1.00 0.28 O ATOM 996 CB HIS A 70 2.201 -5.026 -8.759 1.00 0.24 C ATOM 997 CG HIS A 70 2.775 -4.867 -10.136 1.00 0.30 C ATOM 998 ND1 HIS A 70 2.856 -5.897 -11.048 1.00 0.39 N ATOM 999 CD2 HIS A 70 3.278 -3.776 -10.759 1.00 0.34 C ATOM 1000 CE1 HIS A 70 3.383 -5.446 -12.171 1.00 0.45 C ATOM 1001 NE2 HIS A 70 3.649 -4.161 -12.022 1.00 0.41 N ATOM 0 H HIS A 70 1.639 -5.175 -6.340 1.00 0.21 H new ATOM 0 HA HIS A 70 3.805 -6.205 -7.932 1.00 0.22 H new ATOM 0 HB2 HIS A 70 1.477 -5.841 -8.771 1.00 0.24 H new ATOM 0 HB3 HIS A 70 1.656 -4.119 -8.498 1.00 0.24 H new ATOM 0 HD2 HIS A 70 3.370 -2.785 -10.339 1.00 0.34 H new ATOM 0 HE1 HIS A 70 3.566 -6.029 -13.061 1.00 0.45 H new ATOM 0 HE2 HIS A 70 4.063 -3.554 -12.730 1.00 0.41 H new ATOM 1010 N ASN A 71 3.847 -3.125 -6.819 1.00 0.19 N ATOM 1011 CA ASN A 71 4.672 -1.927 -6.690 1.00 0.22 C ATOM 1012 C ASN A 71 5.723 -2.057 -5.600 1.00 0.20 C ATOM 1013 O ASN A 71 6.681 -1.288 -5.565 1.00 0.25 O ATOM 1014 CB ASN A 71 3.798 -0.713 -6.424 1.00 0.32 C ATOM 1015 CG ASN A 71 3.055 -0.275 -7.665 1.00 0.61 C ATOM 1016 OD1 ASN A 71 3.549 0.536 -8.446 1.00 1.44 O ATOM 1017 ND2 ASN A 71 1.870 -0.817 -7.861 1.00 0.22 N ATOM 0 H ASN A 71 2.980 -3.100 -6.283 1.00 0.19 H new ATOM 0 HA ASN A 71 5.200 -1.801 -7.635 1.00 0.22 H new ATOM 0 HB2 ASN A 71 3.083 -0.946 -5.635 1.00 0.32 H new ATOM 0 HB3 ASN A 71 4.417 0.108 -6.062 1.00 0.32 H new ATOM 0 HD21 ASN A 71 1.325 -0.567 -8.686 1.00 0.22 H new ATOM 0 HD22 ASN A 71 1.497 -1.486 -7.187 1.00 0.22 H new ATOM 1024 N THR A 72 5.550 -3.022 -4.712 1.00 0.18 N ATOM 1025 CA THR A 72 6.467 -3.194 -3.607 1.00 0.19 C ATOM 1026 C THR A 72 7.212 -4.502 -3.713 1.00 0.23 C ATOM 1027 O THR A 72 8.142 -4.748 -2.955 1.00 0.25 O ATOM 1028 CB THR A 72 5.718 -3.125 -2.277 1.00 0.19 C ATOM 1029 OG1 THR A 72 4.735 -4.169 -2.226 1.00 0.21 O ATOM 1030 CG2 THR A 72 5.029 -1.776 -2.144 1.00 0.16 C ATOM 0 H THR A 72 4.784 -3.695 -4.738 1.00 0.18 H new ATOM 0 HA THR A 72 7.194 -2.383 -3.649 1.00 0.19 H new ATOM 0 HB THR A 72 6.427 -3.250 -1.459 1.00 0.19 H new ATOM 0 HG1 THR A 72 4.052 -4.009 -2.911 1.00 0.21 H new ATOM 0 HG21 THR A 72 4.496 -1.732 -1.194 1.00 0.16 H new ATOM 0 HG22 THR A 72 5.775 -0.982 -2.179 1.00 0.16 H new ATOM 0 HG23 THR A 72 4.322 -1.646 -2.963 1.00 0.16 H new ATOM 1038 N GLY A 73 6.779 -5.357 -4.628 1.00 0.27 N ATOM 1039 CA GLY A 73 7.567 -6.523 -4.962 1.00 0.35 C ATOM 1040 C GLY A 73 7.417 -7.633 -3.959 1.00 0.39 C ATOM 1041 O GLY A 73 8.079 -8.668 -4.051 1.00 0.46 O ATOM 0 H GLY A 73 5.902 -5.265 -5.141 1.00 0.27 H new ATOM 0 HA2 GLY A 73 7.271 -6.886 -5.946 1.00 0.35 H new ATOM 0 HA3 GLY A 73 8.617 -6.239 -5.029 1.00 0.35 H new ATOM 1045 N LEU A 74 6.548 -7.411 -3.002 1.00 0.39 N ATOM 1046 CA LEU A 74 6.401 -8.301 -1.883 1.00 0.45 C ATOM 1047 C LEU A 74 5.487 -9.471 -2.195 1.00 0.62 C ATOM 1048 O LEU A 74 5.099 -9.696 -3.342 1.00 1.10 O ATOM 1049 CB LEU A 74 5.865 -7.507 -0.702 1.00 0.46 C ATOM 1050 CG LEU A 74 6.563 -7.802 0.610 1.00 0.53 C ATOM 1051 CD1 LEU A 74 7.997 -7.307 0.536 1.00 1.12 C ATOM 1052 CD2 LEU A 74 5.823 -7.151 1.758 1.00 0.94 C ATOM 0 H LEU A 74 5.923 -6.605 -2.980 1.00 0.39 H new ATOM 0 HA LEU A 74 7.377 -8.725 -1.645 1.00 0.45 H new ATOM 0 HB2 LEU A 74 5.960 -6.443 -0.920 1.00 0.46 H new ATOM 0 HB3 LEU A 74 4.801 -7.716 -0.590 1.00 0.46 H new ATOM 0 HG LEU A 74 6.569 -8.878 0.786 1.00 0.53 H new ATOM 0 HD11 LEU A 74 8.503 -7.517 1.478 1.00 1.12 H new ATOM 0 HD12 LEU A 74 8.516 -7.816 -0.276 1.00 1.12 H new ATOM 0 HD13 LEU A 74 8.002 -6.232 0.353 1.00 1.12 H new ATOM 0 HD21 LEU A 74 6.336 -7.372 2.694 1.00 0.94 H new ATOM 0 HD22 LEU A 74 5.793 -6.072 1.606 1.00 0.94 H new ATOM 0 HD23 LEU A 74 4.806 -7.539 1.802 1.00 0.94 H new ATOM 1064 N ASP A 75 5.176 -10.216 -1.152 1.00 0.54 N ATOM 1065 CA ASP A 75 4.338 -11.396 -1.247 1.00 0.72 C ATOM 1066 C ASP A 75 3.445 -11.465 -0.014 1.00 0.78 C ATOM 1067 O ASP A 75 3.551 -12.363 0.824 1.00 0.98 O ATOM 1068 CB ASP A 75 5.225 -12.629 -1.361 1.00 1.04 C ATOM 1069 CG ASP A 75 4.452 -13.930 -1.478 1.00 1.31 C ATOM 1070 OD1 ASP A 75 4.550 -14.771 -0.556 1.00 1.45 O ATOM 1071 OD2 ASP A 75 3.757 -14.129 -2.498 1.00 1.55 O ATOM 0 H ASP A 75 5.501 -10.017 -0.206 1.00 0.54 H new ATOM 0 HA ASP A 75 3.703 -11.350 -2.132 1.00 0.72 H new ATOM 0 HB2 ASP A 75 5.871 -12.521 -2.232 1.00 1.04 H new ATOM 0 HB3 ASP A 75 5.874 -12.680 -0.487 1.00 1.04 H new ATOM 1076 N LEU A 76 2.591 -10.469 0.101 1.00 0.91 N ATOM 1077 CA LEU A 76 1.712 -10.321 1.256 1.00 1.31 C ATOM 1078 C LEU A 76 0.356 -10.975 0.995 1.00 0.97 C ATOM 1079 O LEU A 76 -0.119 -11.005 -0.140 1.00 0.95 O ATOM 1080 CB LEU A 76 1.541 -8.834 1.621 1.00 1.98 C ATOM 1081 CG LEU A 76 0.700 -7.967 0.671 1.00 2.77 C ATOM 1082 CD1 LEU A 76 0.486 -6.593 1.280 1.00 3.54 C ATOM 1083 CD2 LEU A 76 1.357 -7.822 -0.691 1.00 3.31 C ATOM 0 H LEU A 76 2.482 -9.736 -0.600 1.00 0.91 H new ATOM 0 HA LEU A 76 2.174 -10.829 2.102 1.00 1.31 H new ATOM 0 HB2 LEU A 76 1.093 -8.780 2.613 1.00 1.98 H new ATOM 0 HB3 LEU A 76 2.533 -8.389 1.695 1.00 1.98 H new ATOM 0 HG LEU A 76 -0.259 -8.466 0.531 1.00 2.77 H new ATOM 0 HD11 LEU A 76 -0.111 -5.983 0.602 1.00 3.54 H new ATOM 0 HD12 LEU A 76 -0.036 -6.694 2.232 1.00 3.54 H new ATOM 0 HD13 LEU A 76 1.451 -6.114 1.445 1.00 3.54 H new ATOM 0 HD21 LEU A 76 0.731 -7.202 -1.333 1.00 3.31 H new ATOM 0 HD22 LEU A 76 2.334 -7.353 -0.575 1.00 3.31 H new ATOM 0 HD23 LEU A 76 1.478 -8.806 -1.143 1.00 3.31 H new ATOM 1095 N PRO A 77 -0.276 -11.514 2.052 1.00 1.11 N ATOM 1096 CA PRO A 77 -1.536 -12.256 1.940 1.00 1.07 C ATOM 1097 C PRO A 77 -2.761 -11.351 1.769 1.00 0.78 C ATOM 1098 O PRO A 77 -2.726 -10.163 2.088 1.00 0.84 O ATOM 1099 CB PRO A 77 -1.610 -12.994 3.277 1.00 1.63 C ATOM 1100 CG PRO A 77 -0.906 -12.101 4.234 1.00 1.97 C ATOM 1101 CD PRO A 77 0.197 -11.445 3.451 1.00 1.67 C ATOM 0 HA PRO A 77 -1.548 -12.899 1.060 1.00 1.07 H new ATOM 0 HB2 PRO A 77 -2.643 -13.165 3.580 1.00 1.63 H new ATOM 0 HB3 PRO A 77 -1.130 -13.971 3.218 1.00 1.63 H new ATOM 0 HG2 PRO A 77 -1.587 -11.357 4.647 1.00 1.97 H new ATOM 0 HG3 PRO A 77 -0.505 -12.668 5.074 1.00 1.97 H new ATOM 0 HD2 PRO A 77 0.356 -10.415 3.769 1.00 1.67 H new ATOM 0 HD3 PRO A 77 1.145 -11.968 3.579 1.00 1.67 H new ATOM 1109 N PRO A 78 -3.862 -11.933 1.248 1.00 0.60 N ATOM 1110 CA PRO A 78 -5.159 -11.246 1.044 1.00 0.50 C ATOM 1111 C PRO A 78 -5.760 -10.648 2.301 1.00 0.67 C ATOM 1112 O PRO A 78 -6.727 -9.889 2.233 1.00 1.62 O ATOM 1113 CB PRO A 78 -6.070 -12.371 0.561 1.00 0.60 C ATOM 1114 CG PRO A 78 -5.154 -13.349 -0.075 1.00 0.76 C ATOM 1115 CD PRO A 78 -3.917 -13.329 0.769 1.00 0.75 C ATOM 0 HA PRO A 78 -5.036 -10.403 0.364 1.00 0.50 H new ATOM 0 HB2 PRO A 78 -6.617 -12.821 1.389 1.00 0.60 H new ATOM 0 HB3 PRO A 78 -6.812 -12.003 -0.148 1.00 0.60 H new ATOM 0 HG2 PRO A 78 -5.597 -14.345 -0.102 1.00 0.76 H new ATOM 0 HG3 PRO A 78 -4.933 -13.070 -1.105 1.00 0.76 H new ATOM 0 HD2 PRO A 78 -3.981 -14.037 1.596 1.00 0.75 H new ATOM 0 HD3 PRO A 78 -3.031 -13.593 0.192 1.00 0.75 H new ATOM 1123 N THR A 79 -5.193 -10.963 3.438 1.00 0.55 N ATOM 1124 CA THR A 79 -5.699 -10.448 4.685 1.00 0.40 C ATOM 1125 C THR A 79 -4.880 -9.236 5.099 1.00 0.33 C ATOM 1126 O THR A 79 -4.773 -8.900 6.277 1.00 0.37 O ATOM 1127 CB THR A 79 -5.672 -11.529 5.772 1.00 0.45 C ATOM 1128 OG1 THR A 79 -4.385 -12.163 5.803 1.00 0.52 O ATOM 1129 CG2 THR A 79 -6.746 -12.567 5.495 1.00 0.53 C ATOM 0 H THR A 79 -4.381 -11.574 3.526 1.00 0.55 H new ATOM 0 HA THR A 79 -6.737 -10.145 4.552 1.00 0.40 H new ATOM 0 HB THR A 79 -5.863 -11.062 6.738 1.00 0.45 H new ATOM 0 HG1 THR A 79 -4.376 -12.851 6.501 1.00 0.52 H new ATOM 0 HG21 THR A 79 -6.721 -13.332 6.271 1.00 0.53 H new ATOM 0 HG22 THR A 79 -7.724 -12.086 5.490 1.00 0.53 H new ATOM 0 HG23 THR A 79 -6.564 -13.029 4.524 1.00 0.53 H new ATOM 1137 N LEU A 80 -4.305 -8.583 4.095 1.00 0.32 N ATOM 1138 CA LEU A 80 -3.506 -7.387 4.301 1.00 0.32 C ATOM 1139 C LEU A 80 -4.393 -6.247 4.772 1.00 0.22 C ATOM 1140 O LEU A 80 -4.032 -5.511 5.682 1.00 0.21 O ATOM 1141 CB LEU A 80 -2.769 -6.982 3.009 1.00 0.43 C ATOM 1142 CG LEU A 80 -3.645 -6.422 1.873 1.00 1.21 C ATOM 1143 CD1 LEU A 80 -2.790 -5.746 0.816 1.00 1.91 C ATOM 1144 CD2 LEU A 80 -4.488 -7.511 1.227 1.00 1.97 C ATOM 0 H LEU A 80 -4.381 -8.869 3.119 1.00 0.32 H new ATOM 0 HA LEU A 80 -2.759 -7.603 5.064 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -2.018 -6.234 3.263 1.00 0.43 H new ATOM 0 HB3 LEU A 80 -2.235 -7.854 2.632 1.00 0.43 H new ATOM 0 HG LEU A 80 -4.315 -5.686 2.317 1.00 1.21 H new ATOM 0 HD11 LEU A 80 -3.430 -5.358 0.024 1.00 1.91 H new ATOM 0 HD12 LEU A 80 -2.234 -4.925 1.268 1.00 1.91 H new ATOM 0 HD13 LEU A 80 -2.091 -6.469 0.396 1.00 1.91 H new ATOM 0 HD21 LEU A 80 -5.093 -7.078 0.430 1.00 1.97 H new ATOM 0 HD22 LEU A 80 -3.835 -8.278 0.811 1.00 1.97 H new ATOM 0 HD23 LEU A 80 -5.141 -7.958 1.976 1.00 1.97 H new ATOM 1156 N ILE A 81 -5.565 -6.127 4.162 1.00 0.18 N ATOM 1157 CA ILE A 81 -6.507 -5.064 4.515 1.00 0.13 C ATOM 1158 C ILE A 81 -7.123 -5.349 5.874 1.00 0.15 C ATOM 1159 O ILE A 81 -7.385 -4.449 6.668 1.00 0.16 O ATOM 1160 CB ILE A 81 -7.623 -4.938 3.449 1.00 0.12 C ATOM 1161 CG1 ILE A 81 -7.018 -4.757 2.077 1.00 0.13 C ATOM 1162 CG2 ILE A 81 -8.530 -3.760 3.712 1.00 0.13 C ATOM 1163 CD1 ILE A 81 -5.954 -3.704 2.046 1.00 0.13 C ATOM 0 H ILE A 81 -5.889 -6.749 3.422 1.00 0.18 H new ATOM 0 HA ILE A 81 -5.961 -4.122 4.555 1.00 0.13 H new ATOM 0 HB ILE A 81 -8.207 -5.857 3.500 1.00 0.12 H new ATOM 0 HG12 ILE A 81 -6.595 -5.705 1.744 1.00 0.13 H new ATOM 0 HG13 ILE A 81 -7.805 -4.493 1.370 1.00 0.13 H new ATOM 0 HG21 ILE A 81 -9.297 -3.712 2.939 1.00 0.13 H new ATOM 0 HG22 ILE A 81 -9.004 -3.876 4.687 1.00 0.13 H new ATOM 0 HG23 ILE A 81 -7.945 -2.840 3.700 1.00 0.13 H new ATOM 0 HD11 ILE A 81 -5.556 -3.619 1.035 1.00 0.13 H new ATOM 0 HD12 ILE A 81 -6.379 -2.748 2.351 1.00 0.13 H new ATOM 0 HD13 ILE A 81 -5.151 -3.978 2.730 1.00 0.13 H new ATOM 1175 N PHE A 82 -7.347 -6.621 6.120 1.00 0.20 N ATOM 1176 CA PHE A 82 -7.904 -7.088 7.370 1.00 0.25 C ATOM 1177 C PHE A 82 -6.924 -6.901 8.530 1.00 0.25 C ATOM 1178 O PHE A 82 -7.339 -6.676 9.667 1.00 0.30 O ATOM 1179 CB PHE A 82 -8.296 -8.556 7.211 1.00 0.32 C ATOM 1180 CG PHE A 82 -9.361 -8.777 6.168 1.00 0.36 C ATOM 1181 CD1 PHE A 82 -10.648 -9.114 6.550 1.00 0.46 C ATOM 1182 CD2 PHE A 82 -9.083 -8.637 4.811 1.00 0.34 C ATOM 1183 CE1 PHE A 82 -11.637 -9.308 5.607 1.00 0.52 C ATOM 1184 CE2 PHE A 82 -10.069 -8.833 3.866 1.00 0.40 C ATOM 1185 CZ PHE A 82 -11.347 -9.168 4.263 1.00 0.49 C ATOM 0 H PHE A 82 -7.146 -7.366 5.453 1.00 0.20 H new ATOM 0 HA PHE A 82 -8.787 -6.496 7.611 1.00 0.25 H new ATOM 0 HB2 PHE A 82 -7.411 -9.135 6.946 1.00 0.32 H new ATOM 0 HB3 PHE A 82 -8.650 -8.936 8.169 1.00 0.32 H new ATOM 0 HD1 PHE A 82 -10.881 -9.226 7.599 1.00 0.46 H new ATOM 0 HD2 PHE A 82 -8.085 -8.372 4.495 1.00 0.34 H new ATOM 0 HE1 PHE A 82 -12.637 -9.569 5.919 1.00 0.52 H new ATOM 0 HE2 PHE A 82 -9.840 -8.724 2.816 1.00 0.40 H new ATOM 0 HZ PHE A 82 -12.120 -9.321 3.524 1.00 0.49 H new ATOM 1195 N ASP A 83 -5.631 -6.991 8.242 1.00 0.23 N ATOM 1196 CA ASP A 83 -4.602 -6.812 9.268 1.00 0.25 C ATOM 1197 C ASP A 83 -4.149 -5.359 9.332 1.00 0.24 C ATOM 1198 O ASP A 83 -3.716 -4.870 10.376 1.00 0.38 O ATOM 1199 CB ASP A 83 -3.398 -7.710 8.983 1.00 0.29 C ATOM 1200 CG ASP A 83 -2.381 -7.701 10.108 1.00 0.34 C ATOM 1201 OD1 ASP A 83 -2.770 -7.932 11.274 1.00 0.48 O ATOM 1202 OD2 ASP A 83 -1.181 -7.487 9.835 1.00 0.47 O ATOM 0 H ASP A 83 -5.267 -7.186 7.309 1.00 0.23 H new ATOM 0 HA ASP A 83 -5.036 -7.090 10.228 1.00 0.25 H new ATOM 0 HB2 ASP A 83 -3.742 -8.731 8.818 1.00 0.29 H new ATOM 0 HB3 ASP A 83 -2.917 -7.383 8.061 1.00 0.29 H new ATOM 1207 N HIS A 84 -4.245 -4.680 8.202 1.00 0.14 N ATOM 1208 CA HIS A 84 -3.860 -3.280 8.095 1.00 0.12 C ATOM 1209 C HIS A 84 -4.980 -2.508 7.422 1.00 0.11 C ATOM 1210 O HIS A 84 -4.997 -2.355 6.204 1.00 0.14 O ATOM 1211 CB HIS A 84 -2.564 -3.144 7.298 1.00 0.14 C ATOM 1212 CG HIS A 84 -1.356 -3.620 8.041 1.00 0.19 C ATOM 1213 ND1 HIS A 84 -0.543 -2.794 8.787 1.00 0.22 N ATOM 1214 CD2 HIS A 84 -0.832 -4.860 8.157 1.00 0.25 C ATOM 1215 CE1 HIS A 84 0.426 -3.506 9.329 1.00 0.27 C ATOM 1216 NE2 HIS A 84 0.274 -4.763 8.962 1.00 0.29 N ATOM 0 H HIS A 84 -4.592 -5.082 7.331 1.00 0.14 H new ATOM 0 HA HIS A 84 -3.688 -2.873 9.092 1.00 0.12 H new ATOM 0 HB2 HIS A 84 -2.656 -3.708 6.370 1.00 0.14 H new ATOM 0 HB3 HIS A 84 -2.424 -2.099 7.023 1.00 0.14 H new ATOM 0 HD2 HIS A 84 -1.214 -5.761 7.700 1.00 0.25 H new ATOM 0 HE1 HIS A 84 1.211 -3.124 9.965 1.00 0.27 H new ATOM 0 HE2 HIS A 84 0.880 -5.537 9.233 1.00 0.29 H new ATOM 1225 N PRO A 85 -5.929 -2.009 8.218 1.00 0.10 N ATOM 1226 CA PRO A 85 -7.199 -1.510 7.707 1.00 0.09 C ATOM 1227 C PRO A 85 -7.181 -0.069 7.206 1.00 0.08 C ATOM 1228 O PRO A 85 -8.231 0.459 6.855 1.00 0.09 O ATOM 1229 CB PRO A 85 -8.108 -1.631 8.925 1.00 0.12 C ATOM 1230 CG PRO A 85 -7.205 -1.374 10.084 1.00 0.14 C ATOM 1231 CD PRO A 85 -5.851 -1.907 9.690 1.00 0.13 C ATOM 0 HA PRO A 85 -7.507 -2.071 6.825 1.00 0.09 H new ATOM 0 HB2 PRO A 85 -8.923 -0.908 8.887 1.00 0.12 H new ATOM 0 HB3 PRO A 85 -8.562 -2.620 8.986 1.00 0.12 H new ATOM 0 HG2 PRO A 85 -7.153 -0.309 10.308 1.00 0.14 H new ATOM 0 HG3 PRO A 85 -7.573 -1.871 10.982 1.00 0.14 H new ATOM 0 HD2 PRO A 85 -5.050 -1.237 10.003 1.00 0.13 H new ATOM 0 HD3 PRO A 85 -5.653 -2.876 10.149 1.00 0.13 H new ATOM 1239 N THR A 86 -6.027 0.581 7.154 1.00 0.07 N ATOM 1240 CA THR A 86 -5.980 1.944 6.643 1.00 0.07 C ATOM 1241 C THR A 86 -4.867 2.093 5.609 1.00 0.07 C ATOM 1242 O THR A 86 -3.919 1.310 5.623 1.00 0.07 O ATOM 1243 CB THR A 86 -5.769 2.975 7.770 1.00 0.08 C ATOM 1244 OG1 THR A 86 -4.504 2.764 8.408 1.00 0.09 O ATOM 1245 CG2 THR A 86 -6.876 2.900 8.810 1.00 0.09 C ATOM 0 H THR A 86 -5.130 0.198 7.452 1.00 0.07 H new ATOM 0 HA THR A 86 -6.945 2.140 6.175 1.00 0.07 H new ATOM 0 HB THR A 86 -5.790 3.965 7.314 1.00 0.08 H new ATOM 0 HG1 THR A 86 -4.382 3.426 9.120 1.00 0.09 H new ATOM 0 HG21 THR A 86 -6.694 3.641 9.589 1.00 0.09 H new ATOM 0 HG22 THR A 86 -7.836 3.101 8.335 1.00 0.09 H new ATOM 0 HG23 THR A 86 -6.892 1.904 9.253 1.00 0.09 H new ATOM 1253 N PRO A 87 -4.967 3.065 4.676 1.00 0.08 N ATOM 1254 CA PRO A 87 -3.890 3.331 3.714 1.00 0.09 C ATOM 1255 C PRO A 87 -2.561 3.566 4.416 1.00 0.09 C ATOM 1256 O PRO A 87 -1.503 3.174 3.922 1.00 0.11 O ATOM 1257 CB PRO A 87 -4.354 4.580 2.969 1.00 0.09 C ATOM 1258 CG PRO A 87 -5.836 4.577 3.120 1.00 0.09 C ATOM 1259 CD PRO A 87 -6.128 3.944 4.456 1.00 0.08 C ATOM 0 HA PRO A 87 -3.716 2.488 3.045 1.00 0.09 H new ATOM 0 HB2 PRO A 87 -3.914 5.482 3.394 1.00 0.09 H new ATOM 0 HB3 PRO A 87 -4.062 4.547 1.919 1.00 0.09 H new ATOM 0 HG2 PRO A 87 -6.233 5.591 3.076 1.00 0.09 H new ATOM 0 HG3 PRO A 87 -6.307 4.015 2.313 1.00 0.09 H new ATOM 0 HD2 PRO A 87 -6.221 4.692 5.244 1.00 0.08 H new ATOM 0 HD3 PRO A 87 -7.061 3.381 4.439 1.00 0.08 H new ATOM 1267 N HIS A 88 -2.637 4.184 5.588 1.00 0.09 N ATOM 1268 CA HIS A 88 -1.478 4.359 6.446 1.00 0.09 C ATOM 1269 C HIS A 88 -0.966 2.995 6.894 1.00 0.08 C ATOM 1270 O HIS A 88 0.220 2.703 6.787 1.00 0.09 O ATOM 1271 CB HIS A 88 -1.865 5.214 7.658 1.00 0.12 C ATOM 1272 CG HIS A 88 -0.720 5.598 8.542 1.00 0.19 C ATOM 1273 ND1 HIS A 88 0.240 6.515 8.180 1.00 0.28 N ATOM 1274 CD2 HIS A 88 -0.394 5.190 9.788 1.00 0.23 C ATOM 1275 CE1 HIS A 88 1.108 6.652 9.164 1.00 0.33 C ATOM 1276 NE2 HIS A 88 0.746 5.858 10.155 1.00 0.30 N ATOM 0 H HIS A 88 -3.500 4.575 5.967 1.00 0.09 H new ATOM 0 HA HIS A 88 -0.685 4.867 5.898 1.00 0.09 H new ATOM 0 HB2 HIS A 88 -2.354 6.122 7.304 1.00 0.12 H new ATOM 0 HB3 HIS A 88 -2.598 4.668 8.252 1.00 0.12 H new ATOM 0 HD2 HIS A 88 -0.933 4.470 10.386 1.00 0.23 H new ATOM 0 HE1 HIS A 88 1.969 7.304 9.160 1.00 0.33 H new ATOM 0 HE2 HIS A 88 1.233 5.758 11.045 1.00 0.30 H new ATOM 1285 N ALA A 89 -1.881 2.169 7.386 1.00 0.09 N ATOM 1286 CA ALA A 89 -1.565 0.820 7.844 1.00 0.10 C ATOM 1287 C ALA A 89 -0.914 -0.035 6.760 1.00 0.09 C ATOM 1288 O ALA A 89 0.162 -0.588 6.975 1.00 0.10 O ATOM 1289 CB ALA A 89 -2.820 0.138 8.344 1.00 0.12 C ATOM 0 H ALA A 89 -2.866 2.416 7.479 1.00 0.09 H new ATOM 0 HA ALA A 89 -0.842 0.921 8.654 1.00 0.10 H new ATOM 0 HB1 ALA A 89 -2.576 -0.868 8.684 1.00 0.12 H new ATOM 0 HB2 ALA A 89 -3.239 0.709 9.172 1.00 0.12 H new ATOM 0 HB3 ALA A 89 -3.550 0.081 7.536 1.00 0.12 H new ATOM 1295 N LEU A 90 -1.584 -0.185 5.618 1.00 0.10 N ATOM 1296 CA LEU A 90 -1.039 -0.964 4.507 1.00 0.11 C ATOM 1297 C LEU A 90 0.334 -0.463 4.131 1.00 0.11 C ATOM 1298 O LEU A 90 1.248 -1.247 3.865 1.00 0.12 O ATOM 1299 CB LEU A 90 -1.943 -0.863 3.287 1.00 0.13 C ATOM 1300 CG LEU A 90 -2.370 -2.194 2.668 1.00 0.25 C ATOM 1301 CD1 LEU A 90 -3.020 -3.089 3.704 1.00 0.73 C ATOM 1302 CD2 LEU A 90 -3.332 -1.951 1.523 1.00 0.68 C ATOM 0 H LEU A 90 -2.502 0.221 5.438 1.00 0.10 H new ATOM 0 HA LEU A 90 -0.975 -2.003 4.832 1.00 0.11 H new ATOM 0 HB2 LEU A 90 -2.839 -0.309 3.566 1.00 0.13 H new ATOM 0 HB3 LEU A 90 -1.430 -0.276 2.525 1.00 0.13 H new ATOM 0 HG LEU A 90 -1.479 -2.695 2.290 1.00 0.25 H new ATOM 0 HD11 LEU A 90 -3.315 -4.030 3.239 1.00 0.73 H new ATOM 0 HD12 LEU A 90 -2.312 -3.288 4.508 1.00 0.73 H new ATOM 0 HD13 LEU A 90 -3.901 -2.594 4.111 1.00 0.73 H new ATOM 0 HD21 LEU A 90 -3.630 -2.906 1.089 1.00 0.68 H new ATOM 0 HD22 LEU A 90 -4.215 -1.430 1.894 1.00 0.68 H new ATOM 0 HD23 LEU A 90 -2.845 -1.343 0.761 1.00 0.68 H new ATOM 1314 N THR A 91 0.465 0.848 4.109 1.00 0.11 N ATOM 1315 CA THR A 91 1.728 1.472 3.820 1.00 0.12 C ATOM 1316 C THR A 91 2.776 1.043 4.839 1.00 0.12 C ATOM 1317 O THR A 91 3.888 0.651 4.479 1.00 0.13 O ATOM 1318 CB THR A 91 1.589 3.009 3.825 1.00 0.12 C ATOM 1319 OG1 THR A 91 0.884 3.447 2.660 1.00 0.13 O ATOM 1320 CG2 THR A 91 2.940 3.700 3.915 1.00 0.13 C ATOM 0 H THR A 91 -0.297 1.501 4.290 1.00 0.11 H new ATOM 0 HA THR A 91 2.047 1.153 2.828 1.00 0.12 H new ATOM 0 HB THR A 91 1.020 3.284 4.713 1.00 0.12 H new ATOM 0 HG1 THR A 91 -0.079 3.446 2.841 1.00 0.13 H new ATOM 0 HG21 THR A 91 2.797 4.781 3.916 1.00 0.13 H new ATOM 0 HG22 THR A 91 3.442 3.400 4.835 1.00 0.13 H new ATOM 0 HG23 THR A 91 3.552 3.416 3.059 1.00 0.13 H new ATOM 1328 N GLN A 92 2.395 1.102 6.110 1.00 0.11 N ATOM 1329 CA GLN A 92 3.262 0.693 7.205 1.00 0.12 C ATOM 1330 C GLN A 92 3.767 -0.731 7.002 1.00 0.13 C ATOM 1331 O GLN A 92 4.913 -1.042 7.313 1.00 0.16 O ATOM 1332 CB GLN A 92 2.520 0.806 8.537 1.00 0.12 C ATOM 1333 CG GLN A 92 2.214 2.236 8.946 1.00 0.16 C ATOM 1334 CD GLN A 92 2.066 2.393 10.444 1.00 0.47 C ATOM 1335 OE1 GLN A 92 3.038 2.659 11.150 1.00 1.42 O ATOM 1336 NE2 GLN A 92 0.856 2.210 10.942 1.00 1.06 N ATOM 0 H GLN A 92 1.478 1.434 6.408 1.00 0.11 H new ATOM 0 HA GLN A 92 4.125 1.359 7.222 1.00 0.12 H new ATOM 0 HB2 GLN A 92 1.586 0.249 8.471 1.00 0.12 H new ATOM 0 HB3 GLN A 92 3.118 0.334 9.317 1.00 0.12 H new ATOM 0 HG2 GLN A 92 3.011 2.890 8.593 1.00 0.16 H new ATOM 0 HG3 GLN A 92 1.295 2.561 8.458 1.00 0.16 H new ATOM 0 HE21 GLN A 92 0.077 1.991 10.321 1.00 1.06 H new ATOM 0 HE22 GLN A 92 0.701 2.288 11.947 1.00 1.06 H new ATOM 1345 N HIS A 93 2.907 -1.577 6.456 1.00 0.14 N ATOM 1346 CA HIS A 93 3.257 -2.962 6.172 1.00 0.17 C ATOM 1347 C HIS A 93 4.440 -3.047 5.206 1.00 0.19 C ATOM 1348 O HIS A 93 5.437 -3.699 5.498 1.00 0.21 O ATOM 1349 CB HIS A 93 2.036 -3.698 5.598 1.00 0.20 C ATOM 1350 CG HIS A 93 2.315 -5.091 5.117 1.00 0.27 C ATOM 1351 ND1 HIS A 93 2.274 -6.195 5.938 1.00 0.31 N ATOM 1352 CD2 HIS A 93 2.634 -5.553 3.884 1.00 0.36 C ATOM 1353 CE1 HIS A 93 2.555 -7.274 5.234 1.00 0.38 C ATOM 1354 NE2 HIS A 93 2.780 -6.915 3.986 1.00 0.41 N ATOM 0 H HIS A 93 1.953 -1.326 6.198 1.00 0.14 H new ATOM 0 HA HIS A 93 3.558 -3.441 7.104 1.00 0.17 H new ATOM 0 HB2 HIS A 93 1.261 -3.741 6.363 1.00 0.20 H new ATOM 0 HB3 HIS A 93 1.634 -3.115 4.769 1.00 0.20 H new ATOM 0 HD1 HIS A 93 2.060 -6.181 6.935 1.00 0.31 H new ATOM 0 HD2 HIS A 93 2.752 -4.961 2.988 1.00 0.36 H new ATOM 0 HE1 HIS A 93 2.594 -8.283 5.616 1.00 0.38 H new ATOM 1363 N LEU A 94 4.335 -2.375 4.067 1.00 0.18 N ATOM 1364 CA LEU A 94 5.358 -2.467 3.030 1.00 0.21 C ATOM 1365 C LEU A 94 6.556 -1.576 3.342 1.00 0.22 C ATOM 1366 O LEU A 94 7.654 -1.807 2.851 1.00 0.31 O ATOM 1367 CB LEU A 94 4.740 -2.083 1.690 1.00 0.19 C ATOM 1368 CG LEU A 94 3.529 -2.932 1.301 1.00 0.21 C ATOM 1369 CD1 LEU A 94 2.706 -2.259 0.233 1.00 0.21 C ATOM 1370 CD2 LEU A 94 3.966 -4.308 0.818 1.00 0.27 C ATOM 0 H LEU A 94 3.554 -1.761 3.837 1.00 0.18 H new ATOM 0 HA LEU A 94 5.724 -3.493 2.989 1.00 0.21 H new ATOM 0 HB2 LEU A 94 4.441 -1.035 1.726 1.00 0.19 H new ATOM 0 HB3 LEU A 94 5.499 -2.172 0.912 1.00 0.19 H new ATOM 0 HG LEU A 94 2.913 -3.045 2.193 1.00 0.21 H new ATOM 0 HD11 LEU A 94 1.853 -2.889 -0.020 1.00 0.21 H new ATOM 0 HD12 LEU A 94 2.350 -1.297 0.601 1.00 0.21 H new ATOM 0 HD13 LEU A 94 3.319 -2.104 -0.655 1.00 0.21 H new ATOM 0 HD21 LEU A 94 3.088 -4.894 0.547 1.00 0.27 H new ATOM 0 HD22 LEU A 94 4.613 -4.200 -0.053 1.00 0.27 H new ATOM 0 HD23 LEU A 94 4.510 -4.817 1.613 1.00 0.27 H new ATOM 1382 N HIS A 95 6.347 -0.591 4.198 1.00 0.18 N ATOM 1383 CA HIS A 95 7.418 0.313 4.614 1.00 0.20 C ATOM 1384 C HIS A 95 8.270 -0.388 5.659 1.00 0.26 C ATOM 1385 O HIS A 95 9.442 -0.072 5.856 1.00 0.39 O ATOM 1386 CB HIS A 95 6.812 1.599 5.189 1.00 0.20 C ATOM 1387 CG HIS A 95 7.809 2.637 5.610 1.00 0.25 C ATOM 1388 ND1 HIS A 95 8.254 2.752 6.905 1.00 0.37 N ATOM 1389 CD2 HIS A 95 8.412 3.638 4.918 1.00 0.26 C ATOM 1390 CE1 HIS A 95 9.077 3.772 6.997 1.00 0.43 C ATOM 1391 NE2 HIS A 95 9.195 4.330 5.808 1.00 0.36 N ATOM 0 H HIS A 95 5.442 -0.392 4.624 1.00 0.18 H new ATOM 0 HA HIS A 95 8.041 0.578 3.760 1.00 0.20 H new ATOM 0 HB2 HIS A 95 6.149 2.036 4.442 1.00 0.20 H new ATOM 0 HB3 HIS A 95 6.196 1.339 6.050 1.00 0.20 H new ATOM 0 HD2 HIS A 95 8.297 3.850 3.865 1.00 0.26 H new ATOM 0 HE1 HIS A 95 9.575 4.099 7.898 1.00 0.43 H new ATOM 0 HE2 HIS A 95 9.772 5.141 5.586 1.00 0.36 H new ATOM 1400 N THR A 96 7.656 -1.360 6.304 1.00 0.22 N ATOM 1401 CA THR A 96 8.297 -2.163 7.309 1.00 0.27 C ATOM 1402 C THR A 96 8.949 -3.388 6.668 1.00 0.32 C ATOM 1403 O THR A 96 10.110 -3.710 6.936 1.00 0.40 O ATOM 1404 CB THR A 96 7.242 -2.586 8.352 1.00 0.35 C ATOM 1405 OG1 THR A 96 7.168 -1.618 9.406 1.00 0.62 O ATOM 1406 CG2 THR A 96 7.517 -3.964 8.905 1.00 0.31 C ATOM 0 H THR A 96 6.682 -1.613 6.137 1.00 0.22 H new ATOM 0 HA THR A 96 9.080 -1.587 7.802 1.00 0.27 H new ATOM 0 HB THR A 96 6.277 -2.630 7.848 1.00 0.35 H new ATOM 0 HG1 THR A 96 6.494 -1.897 10.060 1.00 0.62 H new ATOM 0 HG21 THR A 96 6.751 -4.222 9.636 1.00 0.31 H new ATOM 0 HG22 THR A 96 7.504 -4.691 8.093 1.00 0.31 H new ATOM 0 HG23 THR A 96 8.495 -3.974 9.386 1.00 0.31 H new ATOM 1414 N ARG A 97 8.203 -4.041 5.782 1.00 0.34 N ATOM 1415 CA ARG A 97 8.664 -5.250 5.110 1.00 0.45 C ATOM 1416 C ARG A 97 9.860 -4.981 4.216 1.00 0.57 C ATOM 1417 O ARG A 97 10.542 -5.905 3.781 1.00 0.67 O ATOM 1418 CB ARG A 97 7.528 -5.856 4.303 1.00 0.58 C ATOM 1419 CG ARG A 97 6.583 -6.674 5.152 1.00 1.52 C ATOM 1420 CD ARG A 97 7.247 -7.960 5.609 1.00 2.27 C ATOM 1421 NE ARG A 97 6.344 -8.844 6.339 1.00 3.09 N ATOM 1422 CZ ARG A 97 6.755 -9.877 7.071 1.00 3.77 C ATOM 1423 NH1 ARG A 97 8.052 -10.126 7.207 1.00 3.78 N ATOM 1424 NH2 ARG A 97 5.870 -10.661 7.669 1.00 4.68 N ATOM 0 H ARG A 97 7.265 -3.748 5.511 1.00 0.34 H new ATOM 0 HA ARG A 97 8.984 -5.956 5.876 1.00 0.45 H new ATOM 0 HB2 ARG A 97 6.971 -5.058 3.812 1.00 0.58 H new ATOM 0 HB3 ARG A 97 7.942 -6.487 3.517 1.00 0.58 H new ATOM 0 HG2 ARG A 97 6.270 -6.093 6.019 1.00 1.52 H new ATOM 0 HG3 ARG A 97 5.683 -6.906 4.582 1.00 1.52 H new ATOM 0 HD2 ARG A 97 7.638 -8.488 4.740 1.00 2.27 H new ATOM 0 HD3 ARG A 97 8.099 -7.716 6.244 1.00 2.27 H new ATOM 0 HE ARG A 97 5.342 -8.660 6.285 1.00 3.09 H new ATOM 0 HH11 ARG A 97 8.737 -9.525 6.750 1.00 3.78 H new ATOM 0 HH12 ARG A 97 8.363 -10.919 7.769 1.00 3.78 H new ATOM 0 HH21 ARG A 97 4.872 -10.473 7.569 1.00 4.68 H new ATOM 0 HH22 ARG A 97 6.186 -11.452 8.230 1.00 4.68 H new ATOM 1438 N LEU A 98 10.084 -3.713 3.934 1.00 0.62 N ATOM 1439 CA LEU A 98 11.277 -3.271 3.214 1.00 0.78 C ATOM 1440 C LEU A 98 12.540 -3.883 3.801 1.00 0.92 C ATOM 1441 O LEU A 98 13.428 -4.328 3.073 1.00 1.19 O ATOM 1442 CB LEU A 98 11.381 -1.750 3.259 1.00 0.78 C ATOM 1443 CG LEU A 98 10.857 -1.006 2.029 1.00 0.68 C ATOM 1444 CD1 LEU A 98 12.000 -0.288 1.342 1.00 1.14 C ATOM 1445 CD2 LEU A 98 10.180 -1.952 1.047 1.00 1.00 C ATOM 0 H LEU A 98 9.451 -2.957 4.194 1.00 0.62 H new ATOM 0 HA LEU A 98 11.183 -3.604 2.180 1.00 0.78 H new ATOM 0 HB2 LEU A 98 10.837 -1.394 4.134 1.00 0.78 H new ATOM 0 HB3 LEU A 98 12.427 -1.481 3.403 1.00 0.78 H new ATOM 0 HG LEU A 98 10.113 -0.284 2.365 1.00 0.68 H new ATOM 0 HD11 LEU A 98 11.624 0.241 0.466 1.00 1.14 H new ATOM 0 HD12 LEU A 98 12.448 0.426 2.032 1.00 1.14 H new ATOM 0 HD13 LEU A 98 12.752 -1.014 1.032 1.00 1.14 H new ATOM 0 HD21 LEU A 98 9.821 -1.387 0.187 1.00 1.00 H new ATOM 0 HD22 LEU A 98 10.895 -2.704 0.714 1.00 1.00 H new ATOM 0 HD23 LEU A 98 9.338 -2.443 1.536 1.00 1.00 H new ATOM 1457 N THR A 99 12.606 -3.904 5.118 1.00 0.85 N ATOM 1458 CA THR A 99 13.739 -4.474 5.816 1.00 1.08 C ATOM 1459 C THR A 99 13.354 -5.810 6.449 1.00 1.13 C ATOM 1460 O THR A 99 14.146 -6.755 6.468 1.00 1.66 O ATOM 1461 CB THR A 99 14.273 -3.492 6.883 1.00 1.19 C ATOM 1462 OG1 THR A 99 15.271 -4.117 7.698 1.00 1.61 O ATOM 1463 CG2 THR A 99 13.144 -2.962 7.754 1.00 1.07 C ATOM 0 H THR A 99 11.881 -3.529 5.730 1.00 0.85 H new ATOM 0 HA THR A 99 14.537 -4.653 5.095 1.00 1.08 H new ATOM 0 HB THR A 99 14.727 -2.651 6.359 1.00 1.19 H new ATOM 0 HG1 THR A 99 15.596 -3.477 8.365 1.00 1.61 H new ATOM 0 HG21 THR A 99 13.549 -2.274 8.496 1.00 1.07 H new ATOM 0 HG22 THR A 99 12.419 -2.439 7.131 1.00 1.07 H new ATOM 0 HG23 THR A 99 12.654 -3.794 8.260 1.00 1.07 H new ATOM 1471 N GLN A 100 12.128 -5.879 6.954 1.00 0.75 N ATOM 1472 CA GLN A 100 11.602 -7.100 7.552 1.00 0.85 C ATOM 1473 C GLN A 100 11.232 -8.124 6.483 1.00 1.01 C ATOM 1474 O GLN A 100 10.064 -8.463 6.311 1.00 1.19 O ATOM 1475 CB GLN A 100 10.380 -6.780 8.402 1.00 0.77 C ATOM 1476 CG GLN A 100 10.635 -5.727 9.463 1.00 0.81 C ATOM 1477 CD GLN A 100 11.651 -6.169 10.498 1.00 1.52 C ATOM 1478 OE1 GLN A 100 11.784 -7.359 10.790 1.00 2.10 O ATOM 1479 NE2 GLN A 100 12.376 -5.217 11.059 1.00 2.19 N ATOM 0 H GLN A 100 11.474 -5.096 6.961 1.00 0.75 H new ATOM 0 HA GLN A 100 12.382 -7.529 8.181 1.00 0.85 H new ATOM 0 HB2 GLN A 100 9.575 -6.440 7.751 1.00 0.77 H new ATOM 0 HB3 GLN A 100 10.035 -7.694 8.885 1.00 0.77 H new ATOM 0 HG2 GLN A 100 10.985 -4.813 8.984 1.00 0.81 H new ATOM 0 HG3 GLN A 100 9.696 -5.486 9.962 1.00 0.81 H new ATOM 0 HE21 GLN A 100 12.235 -4.243 10.790 1.00 2.19 H new ATOM 0 HE22 GLN A 100 13.076 -5.456 11.761 1.00 2.19 H new ATOM 1488 N SER A 101 12.230 -8.607 5.770 1.00 1.26 N ATOM 1489 CA SER A 101 12.020 -9.589 4.724 1.00 1.48 C ATOM 1490 C SER A 101 13.321 -10.318 4.425 1.00 1.84 C ATOM 1491 O SER A 101 14.336 -10.094 5.089 1.00 2.05 O ATOM 1492 CB SER A 101 11.494 -8.904 3.461 1.00 1.64 C ATOM 1493 OG SER A 101 12.314 -7.807 3.096 1.00 2.32 O ATOM 0 H SER A 101 13.204 -8.332 5.898 1.00 1.26 H new ATOM 0 HA SER A 101 11.281 -10.316 5.062 1.00 1.48 H new ATOM 0 HB2 SER A 101 11.457 -9.623 2.642 1.00 1.64 H new ATOM 0 HB3 SER A 101 10.474 -8.559 3.629 1.00 1.64 H new ATOM 0 HG SER A 101 11.804 -6.975 3.181 1.00 2.32 H new ATOM 1499 N HIS A 102 13.291 -11.189 3.433 1.00 2.10 N ATOM 1500 CA HIS A 102 14.484 -11.897 3.009 1.00 2.55 C ATOM 1501 C HIS A 102 15.152 -11.128 1.880 1.00 2.90 C ATOM 1502 O HIS A 102 16.071 -10.335 2.163 1.00 3.23 O ATOM 1503 CB HIS A 102 14.149 -13.317 2.555 1.00 2.94 C ATOM 1504 CG HIS A 102 13.624 -14.203 3.642 1.00 3.11 C ATOM 1505 ND1 HIS A 102 14.353 -15.233 4.194 1.00 3.76 N ATOM 1506 CD2 HIS A 102 12.424 -14.219 4.270 1.00 3.06 C ATOM 1507 CE1 HIS A 102 13.625 -15.843 5.111 1.00 4.18 C ATOM 1508 NE2 HIS A 102 12.451 -15.248 5.176 1.00 3.79 N ATOM 1509 OXT HIS A 102 14.730 -11.294 0.717 1.00 3.31 O ATOM 0 H HIS A 102 12.451 -11.423 2.905 1.00 2.10 H new ATOM 0 HA HIS A 102 15.166 -11.970 3.856 1.00 2.55 H new ATOM 0 HB2 HIS A 102 13.410 -13.266 1.755 1.00 2.94 H new ATOM 0 HB3 HIS A 102 15.045 -13.772 2.132 1.00 2.94 H new ATOM 0 HD2 HIS A 102 11.599 -13.546 4.090 1.00 3.06 H new ATOM 0 HE1 HIS A 102 13.939 -16.687 5.707 1.00 4.18 H new ATOM 0 HE2 HIS A 102 11.687 -15.510 5.799 1.00 3.79 H new TER 1518 HIS A 102