USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=27 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 101 SER OG : rot 180:sc= 0.385 USER MOD Set 1.2: A 102 HIS :FLIP no HD1:sc= -0.225 F(o=-0.57,f=0.16) USER MOD Set 2.1: A 88 HIS : no HD1:sc= -0.0235 X(o=-0.058,f=0) USER MOD Set 2.2: A 92 GLN : amide:sc= -0.0341 X(o=-0.058,f=0) USER MOD Set 3.1: A 19 GLN : amide:sc= -0.0609 K(o=-0.28,f=-1.3) USER MOD Set 3.2: A 22 GLN :FLIP amide:sc= -0.218 F(o=-1.8,f=-0.28) USER MOD Single : A 1 GLY N :NH3+ -149:sc= 0.0041 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -36:sc= 0.534 USER MOD Single : A 14 ASN : amide:sc= -0.394 K(o=-0.39,f=-1.6!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.87! C(o=-1.9!,f=-1.9!) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.145 F(o=-3!,f=-0.15) USER MOD Single : A 23 GLN : amide:sc= -1.88! C(o=-1.9!,f=-2.1!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 85:sc= 0.123 USER MOD Single : A 33 THR OG1 : rot 70:sc= 0.305 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 40 HIS : no HD1:sc= -0.143 X(o=-0.14,f=-0.14) USER MOD Single : A 41 THR OG1 : rot 46:sc= 0.111 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 93:sc= 0.0271 USER MOD Single : A 49 THR OG1 : rot 19:sc= -1.8! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -77:sc= 0.0459 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0788 USER MOD Single : A 66 ASN : amide:sc= 0.223 K(o=0.22,f=-3.9!) USER MOD Single : A 67 THR OG1 : rot 74:sc= 0.0799 USER MOD Single : A 69 THR OG1 : rot -64:sc= 1.27 USER MOD Single : A 70 HIS : no HD1:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 71 ASN : amide:sc= -1.65! C(o=-1.6!,f=-2.9!) USER MOD Single : A 72 THR OG1 : rot -89:sc= -0.208! USER MOD Single : A 79 THR OG1 : rot 5:sc= 0.994 USER MOD Single : A 84 HIS : no HE2:sc= -1.42 X(o=-1.4,f=-1.7) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.666 USER MOD Single : A 91 THR OG1 : rot 83:sc= 1.23 USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 95 HIS : no HD1:sc= 0.692 K(o=0.69,f=-2.3!) 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= -0.75 K(o=-0.75,f=-4.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 6.807 -7.340 -14.973 1.00 4.47 N ATOM 2 CA GLY A 1 5.996 -8.127 -14.019 1.00 3.97 C ATOM 3 C GLY A 1 6.235 -7.700 -12.590 1.00 3.37 C ATOM 4 O GLY A 1 6.353 -6.508 -12.302 1.00 3.50 O ATOM 0 H1 GLY A 1 6.296 -7.253 -15.874 1.00 4.47 H new ATOM 0 H2 GLY A 1 6.981 -6.393 -14.581 1.00 4.47 H new ATOM 0 H3 GLY A 1 7.715 -7.820 -15.135 1.00 4.47 H new ATOM 0 HA2 GLY A 1 4.939 -8.012 -14.260 1.00 3.97 H new ATOM 0 HA3 GLY A 1 6.235 -9.185 -14.126 1.00 3.97 H new ATOM 10 N ALA A 2 6.315 -8.669 -11.696 1.00 3.02 N ATOM 11 CA ALA A 2 6.550 -8.399 -10.289 1.00 2.58 C ATOM 12 C ALA A 2 7.594 -9.361 -9.739 1.00 2.13 C ATOM 13 O ALA A 2 7.416 -9.949 -8.671 1.00 2.41 O ATOM 14 CB ALA A 2 5.251 -8.504 -9.502 1.00 2.87 C ATOM 0 H ALA A 2 6.220 -9.659 -11.923 1.00 3.02 H new ATOM 0 HA ALA A 2 6.928 -7.382 -10.185 1.00 2.58 H new ATOM 0 HB1 ALA A 2 5.446 -8.299 -8.449 1.00 2.87 H new ATOM 0 HB2 ALA A 2 4.533 -7.779 -9.886 1.00 2.87 H new ATOM 0 HB3 ALA A 2 4.843 -9.509 -9.606 1.00 2.87 H new ATOM 20 N ALA A 3 8.672 -9.534 -10.491 1.00 1.91 N ATOM 21 CA ALA A 3 9.773 -10.391 -10.070 1.00 1.62 C ATOM 22 C ALA A 3 10.432 -9.834 -8.830 1.00 1.42 C ATOM 23 O ALA A 3 10.634 -10.534 -7.838 1.00 1.97 O ATOM 24 CB ALA A 3 10.818 -10.499 -11.168 1.00 1.64 C ATOM 0 H ALA A 3 8.808 -9.091 -11.399 1.00 1.91 H new ATOM 0 HA ALA A 3 9.362 -11.378 -9.858 1.00 1.62 H new ATOM 0 HB1 ALA A 3 11.632 -11.143 -10.834 1.00 1.64 H new ATOM 0 HB2 ALA A 3 10.363 -10.924 -12.063 1.00 1.64 H new ATOM 0 HB3 ALA A 3 11.210 -9.508 -11.396 1.00 1.64 H new ATOM 30 N SER A 4 10.754 -8.559 -8.901 1.00 0.96 N ATOM 31 CA SER A 4 11.519 -7.903 -7.869 1.00 0.76 C ATOM 32 C SER A 4 11.286 -6.398 -7.903 1.00 0.67 C ATOM 33 O SER A 4 12.220 -5.609 -8.042 1.00 0.72 O ATOM 34 CB SER A 4 12.995 -8.235 -8.067 1.00 0.82 C ATOM 35 OG SER A 4 13.350 -8.182 -9.441 1.00 1.73 O ATOM 0 H SER A 4 10.491 -7.951 -9.677 1.00 0.96 H new ATOM 0 HA SER A 4 11.198 -8.259 -6.890 1.00 0.76 H new ATOM 0 HB2 SER A 4 13.608 -7.533 -7.502 1.00 0.82 H new ATOM 0 HB3 SER A 4 13.204 -9.229 -7.672 1.00 0.82 H new ATOM 0 HG SER A 4 14.301 -8.397 -9.542 1.00 1.73 H new ATOM 41 N ALA A 5 10.028 -6.001 -7.782 1.00 0.62 N ATOM 42 CA ALA A 5 9.674 -4.588 -7.795 1.00 0.56 C ATOM 43 C ALA A 5 9.831 -3.984 -6.407 1.00 0.49 C ATOM 44 O ALA A 5 9.555 -2.804 -6.196 1.00 0.45 O ATOM 45 CB ALA A 5 8.255 -4.399 -8.309 1.00 0.59 C ATOM 0 H ALA A 5 9.236 -6.635 -7.674 1.00 0.62 H new ATOM 0 HA ALA A 5 10.354 -4.068 -8.470 1.00 0.56 H new ATOM 0 HB1 ALA A 5 8.007 -3.337 -8.312 1.00 0.59 H new ATOM 0 HB2 ALA A 5 8.180 -4.792 -9.323 1.00 0.59 H new ATOM 0 HB3 ALA A 5 7.559 -4.932 -7.661 1.00 0.59 H new ATOM 51 N ALA A 6 10.279 -4.798 -5.466 1.00 0.50 N ATOM 52 CA ALA A 6 10.582 -4.320 -4.128 1.00 0.46 C ATOM 53 C ALA A 6 11.821 -3.454 -4.156 1.00 0.48 C ATOM 54 O ALA A 6 11.823 -2.352 -3.611 1.00 0.56 O ATOM 55 CB ALA A 6 10.748 -5.490 -3.177 1.00 0.51 C ATOM 0 H ALA A 6 10.441 -5.795 -5.605 1.00 0.50 H new ATOM 0 HA ALA A 6 9.752 -3.712 -3.768 1.00 0.46 H new ATOM 0 HB1 ALA A 6 10.975 -5.118 -2.178 1.00 0.51 H new ATOM 0 HB2 ALA A 6 9.825 -6.069 -3.148 1.00 0.51 H new ATOM 0 HB3 ALA A 6 11.564 -6.126 -3.521 1.00 0.51 H new ATOM 61 N THR A 7 12.877 -3.940 -4.800 1.00 0.52 N ATOM 62 CA THR A 7 14.048 -3.118 -5.050 1.00 0.52 C ATOM 63 C THR A 7 13.742 -1.977 -6.029 1.00 0.50 C ATOM 64 O THR A 7 14.624 -1.180 -6.354 1.00 0.51 O ATOM 65 CB THR A 7 15.233 -3.965 -5.565 1.00 0.61 C ATOM 66 OG1 THR A 7 16.421 -3.163 -5.677 1.00 0.64 O ATOM 67 CG2 THR A 7 14.921 -4.603 -6.910 1.00 0.69 C ATOM 0 H THR A 7 12.943 -4.894 -5.155 1.00 0.52 H new ATOM 0 HA THR A 7 14.333 -2.676 -4.095 1.00 0.52 H new ATOM 0 HB THR A 7 15.402 -4.759 -4.838 1.00 0.61 H new ATOM 0 HG1 THR A 7 16.180 -2.260 -5.972 1.00 0.64 H new ATOM 0 HG21 THR A 7 15.777 -5.191 -7.241 1.00 0.69 H new ATOM 0 HG22 THR A 7 14.051 -5.252 -6.812 1.00 0.69 H new ATOM 0 HG23 THR A 7 14.711 -3.824 -7.642 1.00 0.69 H new ATOM 75 N ASP A 8 12.490 -1.871 -6.482 1.00 0.49 N ATOM 76 CA ASP A 8 12.064 -0.729 -7.276 1.00 0.48 C ATOM 77 C ASP A 8 11.345 0.236 -6.375 1.00 0.40 C ATOM 78 O ASP A 8 11.468 1.445 -6.493 1.00 0.40 O ATOM 79 CB ASP A 8 11.094 -1.127 -8.373 1.00 0.54 C ATOM 80 CG ASP A 8 11.726 -1.134 -9.749 1.00 0.64 C ATOM 81 OD1 ASP A 8 12.405 -2.120 -10.095 1.00 0.75 O ATOM 82 OD2 ASP A 8 11.538 -0.151 -10.499 1.00 0.73 O ATOM 0 H ASP A 8 11.760 -2.563 -6.310 1.00 0.49 H new ATOM 0 HA ASP A 8 12.953 -0.292 -7.731 1.00 0.48 H new ATOM 0 HB2 ASP A 8 10.697 -2.119 -8.157 1.00 0.54 H new ATOM 0 HB3 ASP A 8 10.249 -0.438 -8.371 1.00 0.54 H new ATOM 87 N LEU A 9 10.586 -0.323 -5.462 1.00 0.36 N ATOM 88 CA LEU A 9 9.871 0.474 -4.507 1.00 0.30 C ATOM 89 C LEU A 9 10.852 1.167 -3.604 1.00 0.28 C ATOM 90 O LEU A 9 10.872 2.389 -3.483 1.00 0.26 O ATOM 91 CB LEU A 9 8.990 -0.380 -3.633 1.00 0.29 C ATOM 92 CG LEU A 9 8.491 0.363 -2.405 1.00 0.25 C ATOM 93 CD1 LEU A 9 7.498 1.440 -2.811 1.00 0.24 C ATOM 94 CD2 LEU A 9 7.923 -0.607 -1.392 1.00 0.26 C ATOM 0 H LEU A 9 10.451 -1.329 -5.364 1.00 0.36 H new ATOM 0 HA LEU A 9 9.261 1.186 -5.062 1.00 0.30 H new ATOM 0 HB2 LEU A 9 8.136 -0.729 -4.214 1.00 0.29 H new ATOM 0 HB3 LEU A 9 9.544 -1.264 -3.318 1.00 0.29 H new ATOM 0 HG LEU A 9 9.327 0.867 -1.920 1.00 0.25 H new ATOM 0 HD11 LEU A 9 7.148 1.965 -1.923 1.00 0.24 H new ATOM 0 HD12 LEU A 9 7.983 2.148 -3.483 1.00 0.24 H new ATOM 0 HD13 LEU A 9 6.650 0.980 -3.319 1.00 0.24 H new ATOM 0 HD21 LEU A 9 7.571 -0.057 -0.519 1.00 0.26 H new ATOM 0 HD22 LEU A 9 7.091 -1.153 -1.837 1.00 0.26 H new ATOM 0 HD23 LEU A 9 8.698 -1.311 -1.088 1.00 0.26 H new ATOM 106 N ALA A 10 11.665 0.340 -2.974 1.00 0.31 N ATOM 107 CA ALA A 10 12.744 0.812 -2.124 1.00 0.32 C ATOM 108 C ALA A 10 13.729 1.653 -2.922 1.00 0.35 C ATOM 109 O ALA A 10 14.623 2.254 -2.359 1.00 0.39 O ATOM 110 CB ALA A 10 13.435 -0.359 -1.450 1.00 0.42 C ATOM 0 H ALA A 10 11.597 -0.676 -3.036 1.00 0.31 H new ATOM 0 HA ALA A 10 12.323 1.448 -1.345 1.00 0.32 H new ATOM 0 HB1 ALA A 10 14.241 0.010 -0.816 1.00 0.42 H new ATOM 0 HB2 ALA A 10 12.715 -0.904 -0.840 1.00 0.42 H new ATOM 0 HB3 ALA A 10 13.846 -1.025 -2.209 1.00 0.42 H new ATOM 116 N ALA A 11 13.518 1.737 -4.229 1.00 0.36 N ATOM 117 CA ALA A 11 14.312 2.601 -5.075 1.00 0.41 C ATOM 118 C ALA A 11 13.799 4.027 -4.960 1.00 0.39 C ATOM 119 O ALA A 11 14.582 4.976 -4.941 1.00 0.44 O ATOM 120 CB ALA A 11 14.261 2.132 -6.510 1.00 0.51 C ATOM 0 H ALA A 11 12.797 1.211 -4.723 1.00 0.36 H new ATOM 0 HA ALA A 11 15.351 2.567 -4.748 1.00 0.41 H new ATOM 0 HB1 ALA A 11 14.864 2.794 -7.131 1.00 0.51 H new ATOM 0 HB2 ALA A 11 14.653 1.117 -6.575 1.00 0.51 H new ATOM 0 HB3 ALA A 11 13.229 2.146 -6.861 1.00 0.51 H new ATOM 126 N ARG A 12 12.469 4.179 -4.880 1.00 0.36 N ATOM 127 CA ARG A 12 11.858 5.472 -4.591 1.00 0.41 C ATOM 128 C ARG A 12 12.271 5.947 -3.209 1.00 0.34 C ATOM 129 O ARG A 12 12.449 7.138 -2.965 1.00 0.38 O ATOM 130 CB ARG A 12 10.333 5.347 -4.602 1.00 0.54 C ATOM 131 CG ARG A 12 9.663 5.412 -5.956 1.00 0.68 C ATOM 132 CD ARG A 12 9.689 4.078 -6.664 1.00 0.64 C ATOM 133 NE ARG A 12 10.767 3.999 -7.646 1.00 1.29 N ATOM 134 CZ ARG A 12 10.745 3.201 -8.713 1.00 1.49 C ATOM 135 NH1 ARG A 12 9.722 2.376 -8.912 1.00 1.30 N ATOM 136 NH2 ARG A 12 11.754 3.222 -9.572 1.00 2.35 N ATOM 0 H ARG A 12 11.801 3.419 -5.012 1.00 0.36 H new ATOM 0 HA ARG A 12 12.188 6.179 -5.352 1.00 0.41 H new ATOM 0 HB2 ARG A 12 10.064 4.400 -4.133 1.00 0.54 H new ATOM 0 HB3 ARG A 12 9.921 6.140 -3.978 1.00 0.54 H new ATOM 0 HG2 ARG A 12 8.630 5.738 -5.834 1.00 0.68 H new ATOM 0 HG3 ARG A 12 10.162 6.160 -6.572 1.00 0.68 H new ATOM 0 HD2 ARG A 12 9.808 3.281 -5.930 1.00 0.64 H new ATOM 0 HD3 ARG A 12 8.733 3.913 -7.161 1.00 0.64 H new ATOM 0 HE ARG A 12 11.586 4.590 -7.507 1.00 1.29 H new ATOM 0 HH11 ARG A 12 8.949 2.352 -8.247 1.00 1.30 H new ATOM 0 HH12 ARG A 12 9.710 1.767 -9.730 1.00 1.30 H new ATOM 0 HH21 ARG A 12 12.544 3.848 -9.415 1.00 2.35 H new ATOM 0 HH22 ARG A 12 11.740 2.612 -10.390 1.00 2.35 H new ATOM 150 N LEU A 13 12.421 4.982 -2.319 1.00 0.29 N ATOM 151 CA LEU A 13 12.623 5.246 -0.905 1.00 0.28 C ATOM 152 C LEU A 13 14.071 5.547 -0.635 1.00 0.31 C ATOM 153 O LEU A 13 14.413 6.460 0.106 1.00 0.33 O ATOM 154 CB LEU A 13 12.186 4.034 -0.090 1.00 0.27 C ATOM 155 CG LEU A 13 10.680 3.912 0.187 1.00 0.27 C ATOM 156 CD1 LEU A 13 9.856 4.157 -1.054 1.00 0.74 C ATOM 157 CD2 LEU A 13 10.362 2.555 0.773 1.00 0.70 C ATOM 0 H LEU A 13 12.406 3.990 -2.557 1.00 0.29 H new ATOM 0 HA LEU A 13 12.025 6.110 -0.616 1.00 0.28 H new ATOM 0 HB2 LEU A 13 12.513 3.134 -0.611 1.00 0.27 H new ATOM 0 HB3 LEU A 13 12.710 4.056 0.866 1.00 0.27 H new ATOM 0 HG LEU A 13 10.416 4.684 0.910 1.00 0.27 H new ATOM 0 HD11 LEU A 13 8.797 4.061 -0.813 1.00 0.74 H new ATOM 0 HD12 LEU A 13 10.053 5.161 -1.429 1.00 0.74 H new ATOM 0 HD13 LEU A 13 10.122 3.426 -1.818 1.00 0.74 H new ATOM 0 HD21 LEU A 13 9.291 2.483 0.964 1.00 0.70 H new ATOM 0 HD22 LEU A 13 10.658 1.777 0.070 1.00 0.70 H new ATOM 0 HD23 LEU A 13 10.907 2.426 1.708 1.00 0.70 H new ATOM 169 N ASN A 14 14.910 4.744 -1.229 1.00 0.35 N ATOM 170 CA ASN A 14 16.343 4.950 -1.195 1.00 0.41 C ATOM 171 C ASN A 14 16.693 6.336 -1.701 1.00 0.43 C ATOM 172 O ASN A 14 16.379 6.696 -2.836 1.00 0.84 O ATOM 173 CB ASN A 14 17.005 3.873 -2.036 1.00 0.52 C ATOM 174 CG ASN A 14 17.361 2.646 -1.224 1.00 0.81 C ATOM 175 OD1 ASN A 14 17.675 2.739 -0.035 1.00 1.39 O ATOM 176 ND2 ASN A 14 17.298 1.486 -1.855 1.00 0.65 N ATOM 0 H ASN A 14 14.622 3.920 -1.756 1.00 0.35 H new ATOM 0 HA ASN A 14 16.706 4.880 -0.170 1.00 0.41 H new ATOM 0 HB2 ASN A 14 16.336 3.587 -2.848 1.00 0.52 H new ATOM 0 HB3 ASN A 14 17.908 4.277 -2.494 1.00 0.52 H new ATOM 0 HD21 ASN A 14 17.514 0.622 -1.357 1.00 0.65 H new ATOM 0 HD22 ASN A 14 17.034 1.455 -2.840 1.00 0.65 H new ATOM 183 N GLY A 15 17.334 7.111 -0.844 1.00 0.48 N ATOM 184 CA GLY A 15 17.580 8.504 -1.139 1.00 0.49 C ATOM 185 C GLY A 15 16.707 9.409 -0.301 1.00 0.46 C ATOM 186 O GLY A 15 16.941 10.613 -0.215 1.00 0.56 O ATOM 0 H GLY A 15 17.691 6.797 0.058 1.00 0.48 H new ATOM 0 HA2 GLY A 15 18.629 8.736 -0.955 1.00 0.49 H new ATOM 0 HA3 GLY A 15 17.392 8.692 -2.196 1.00 0.49 H new ATOM 190 N LEU A 16 15.690 8.822 0.308 1.00 0.38 N ATOM 191 CA LEU A 16 14.745 9.563 1.123 1.00 0.35 C ATOM 192 C LEU A 16 14.918 9.260 2.596 1.00 0.35 C ATOM 193 O LEU A 16 15.545 8.273 2.979 1.00 0.37 O ATOM 194 CB LEU A 16 13.310 9.225 0.718 1.00 0.32 C ATOM 195 CG LEU A 16 12.809 9.920 -0.531 1.00 0.35 C ATOM 196 CD1 LEU A 16 11.413 9.438 -0.891 1.00 0.94 C ATOM 197 CD2 LEU A 16 12.823 11.409 -0.290 1.00 0.82 C ATOM 0 H LEU A 16 15.498 7.822 0.251 1.00 0.38 H new ATOM 0 HA LEU A 16 14.942 10.622 0.956 1.00 0.35 H new ATOM 0 HB2 LEU A 16 13.236 8.148 0.569 1.00 0.32 H new ATOM 0 HB3 LEU A 16 12.647 9.478 1.545 1.00 0.32 H new ATOM 0 HG LEU A 16 13.460 9.682 -1.372 1.00 0.35 H new ATOM 0 HD11 LEU A 16 11.072 9.950 -1.791 1.00 0.94 H new ATOM 0 HD12 LEU A 16 11.434 8.363 -1.071 1.00 0.94 H new ATOM 0 HD13 LEU A 16 10.730 9.655 -0.070 1.00 0.94 H new ATOM 0 HD21 LEU A 16 12.465 11.925 -1.181 1.00 0.82 H new ATOM 0 HD22 LEU A 16 12.174 11.647 0.553 1.00 0.82 H new ATOM 0 HD23 LEU A 16 13.840 11.732 -0.068 1.00 0.82 H new ATOM 209 N SER A 17 14.349 10.131 3.410 1.00 0.35 N ATOM 210 CA SER A 17 14.260 9.914 4.837 1.00 0.37 C ATOM 211 C SER A 17 13.121 8.943 5.128 1.00 0.33 C ATOM 212 O SER A 17 12.194 8.832 4.329 1.00 0.31 O ATOM 213 CB SER A 17 14.021 11.252 5.532 1.00 0.39 C ATOM 214 OG SER A 17 15.082 12.158 5.266 1.00 1.08 O ATOM 0 H SER A 17 13.936 11.009 3.096 1.00 0.35 H new ATOM 0 HA SER A 17 15.189 9.484 5.213 1.00 0.37 H new ATOM 0 HB2 SER A 17 13.078 11.680 5.191 1.00 0.39 H new ATOM 0 HB3 SER A 17 13.931 11.097 6.607 1.00 0.39 H new ATOM 0 HG SER A 17 14.907 13.009 5.720 1.00 1.08 H new ATOM 220 N PRO A 18 13.179 8.229 6.258 1.00 0.36 N ATOM 221 CA PRO A 18 12.208 7.172 6.595 1.00 0.35 C ATOM 222 C PRO A 18 10.747 7.582 6.381 1.00 0.31 C ATOM 223 O PRO A 18 9.972 6.839 5.769 1.00 0.29 O ATOM 224 CB PRO A 18 12.502 6.917 8.071 1.00 0.39 C ATOM 225 CG PRO A 18 13.957 7.198 8.193 1.00 0.42 C ATOM 226 CD PRO A 18 14.202 8.384 7.311 1.00 0.45 C ATOM 0 HA PRO A 18 12.317 6.297 5.954 1.00 0.35 H new ATOM 0 HB2 PRO A 18 11.913 7.569 8.715 1.00 0.39 H new ATOM 0 HB3 PRO A 18 12.267 5.891 8.355 1.00 0.39 H new ATOM 0 HG2 PRO A 18 14.232 7.412 9.226 1.00 0.42 H new ATOM 0 HG3 PRO A 18 14.552 6.341 7.876 1.00 0.42 H new ATOM 0 HD2 PRO A 18 14.084 9.322 7.854 1.00 0.45 H new ATOM 0 HD3 PRO A 18 15.211 8.379 6.898 1.00 0.45 H new ATOM 234 N GLN A 19 10.391 8.769 6.855 1.00 0.32 N ATOM 235 CA GLN A 19 9.027 9.275 6.718 1.00 0.32 C ATOM 236 C GLN A 19 8.687 9.565 5.255 1.00 0.29 C ATOM 237 O GLN A 19 7.550 9.380 4.825 1.00 0.28 O ATOM 238 CB GLN A 19 8.827 10.533 7.552 1.00 0.36 C ATOM 239 CG GLN A 19 7.374 10.941 7.625 1.00 0.71 C ATOM 240 CD GLN A 19 6.546 9.999 8.477 1.00 1.28 C ATOM 241 OE1 GLN A 19 6.027 8.997 7.990 1.00 2.00 O ATOM 242 NE2 GLN A 19 6.401 10.322 9.751 1.00 2.04 N ATOM 0 H GLN A 19 11.028 9.402 7.339 1.00 0.32 H new ATOM 0 HA GLN A 19 8.355 8.499 7.083 1.00 0.32 H new ATOM 0 HB2 GLN A 19 9.207 10.364 8.560 1.00 0.36 H new ATOM 0 HB3 GLN A 19 9.411 11.348 7.124 1.00 0.36 H new ATOM 0 HG2 GLN A 19 7.304 11.950 8.032 1.00 0.71 H new ATOM 0 HG3 GLN A 19 6.959 10.974 6.618 1.00 0.71 H new ATOM 0 HE21 GLN A 19 6.848 11.162 10.118 1.00 2.04 H new ATOM 0 HE22 GLN A 19 5.842 9.731 10.367 1.00 2.04 H new ATOM 251 N GLN A 20 9.680 9.989 4.485 1.00 0.28 N ATOM 252 CA GLN A 20 9.481 10.260 3.063 1.00 0.27 C ATOM 253 C GLN A 20 9.327 8.954 2.312 1.00 0.24 C ATOM 254 O GLN A 20 8.511 8.822 1.401 1.00 0.23 O ATOM 255 CB GLN A 20 10.652 11.038 2.487 1.00 0.30 C ATOM 256 CG GLN A 20 10.713 12.463 2.988 1.00 0.37 C ATOM 257 CD GLN A 20 11.668 13.333 2.204 1.00 0.95 C ATOM 258 OE1 GLN A 20 12.852 13.417 2.526 1.00 1.78 O ATOM 259 NE2 GLN A 20 11.158 13.999 1.181 1.00 1.68 N ATOM 0 H GLN A 20 10.630 10.153 4.818 1.00 0.28 H new ATOM 0 HA GLN A 20 8.578 10.861 2.953 1.00 0.27 H new ATOM 0 HB2 GLN A 20 11.581 10.528 2.742 1.00 0.30 H new ATOM 0 HB3 GLN A 20 10.579 11.043 1.399 1.00 0.30 H new ATOM 0 HG2 GLN A 20 9.715 12.899 2.943 1.00 0.37 H new ATOM 0 HG3 GLN A 20 11.013 12.460 4.036 1.00 0.37 H new ATOM 0 HE21 GLN A 20 10.170 13.899 0.949 1.00 1.68 H new ATOM 0 HE22 GLN A 20 11.753 14.612 0.624 1.00 1.68 H new ATOM 268 N GLN A 21 10.136 7.990 2.715 1.00 0.24 N ATOM 269 CA GLN A 21 10.042 6.634 2.214 1.00 0.22 C ATOM 270 C GLN A 21 8.648 6.087 2.467 1.00 0.21 C ATOM 271 O GLN A 21 8.099 5.330 1.667 1.00 0.25 O ATOM 272 CB GLN A 21 11.093 5.770 2.913 1.00 0.25 C ATOM 273 CG GLN A 21 12.516 6.164 2.565 1.00 0.28 C ATOM 274 CD GLN A 21 13.559 5.309 3.265 1.00 0.35 C ATOM 275 OE1 GLN A 21 13.225 4.795 4.438 1.00 1.22 O flip ATOM 276 NE2 GLN A 21 14.654 5.097 2.746 1.00 1.06 N flip ATOM 0 H GLN A 21 10.878 8.128 3.401 1.00 0.24 H new ATOM 0 HA GLN A 21 10.226 6.622 1.140 1.00 0.22 H new ATOM 0 HB2 GLN A 21 10.956 5.844 3.992 1.00 0.25 H new ATOM 0 HB3 GLN A 21 10.935 4.726 2.642 1.00 0.25 H new ATOM 0 HG2 GLN A 21 12.655 6.086 1.487 1.00 0.28 H new ATOM 0 HG3 GLN A 21 12.673 7.209 2.832 1.00 0.28 H new ATOM 0 HE21 GLN A 21 14.878 5.510 1.840 1.00 1.06 H new ATOM 0 HE22 GLN A 21 15.338 4.509 3.221 1.00 1.06 H new ATOM 285 N GLN A 22 8.085 6.481 3.596 1.00 0.21 N ATOM 286 CA GLN A 22 6.714 6.149 3.926 1.00 0.21 C ATOM 287 C GLN A 22 5.756 6.842 2.966 1.00 0.18 C ATOM 288 O GLN A 22 4.877 6.207 2.413 1.00 0.17 O ATOM 289 CB GLN A 22 6.419 6.547 5.360 1.00 0.27 C ATOM 290 CG GLN A 22 5.061 6.102 5.843 1.00 0.46 C ATOM 291 CD GLN A 22 4.145 7.250 6.228 1.00 0.92 C ATOM 292 OE1 GLN A 22 4.308 8.391 5.577 1.00 1.56 O flip ATOM 293 NE2 GLN A 22 3.293 7.108 7.103 1.00 1.60 N flip ATOM 0 H GLN A 22 8.564 7.037 4.305 1.00 0.21 H new ATOM 0 HA GLN A 22 6.574 5.073 3.827 1.00 0.21 H new ATOM 0 HB2 GLN A 22 7.184 6.123 6.011 1.00 0.27 H new ATOM 0 HB3 GLN A 22 6.490 7.631 5.449 1.00 0.27 H new ATOM 0 HG2 GLN A 22 4.582 5.513 5.061 1.00 0.46 H new ATOM 0 HG3 GLN A 22 5.188 5.446 6.704 1.00 0.46 H new ATOM 0 HE21 GLN A 22 3.198 6.213 7.582 1.00 1.60 H new ATOM 0 HE22 GLN A 22 2.681 7.886 7.350 1.00 1.60 H new ATOM 302 N GLN A 23 5.963 8.141 2.767 1.00 0.19 N ATOM 303 CA GLN A 23 5.127 8.965 1.888 1.00 0.18 C ATOM 304 C GLN A 23 4.929 8.372 0.503 1.00 0.15 C ATOM 305 O GLN A 23 3.840 8.446 -0.049 1.00 0.15 O ATOM 306 CB GLN A 23 5.761 10.317 1.743 1.00 0.20 C ATOM 307 CG GLN A 23 5.763 11.103 3.033 1.00 0.24 C ATOM 308 CD GLN A 23 6.645 12.332 2.975 1.00 0.30 C ATOM 309 OE1 GLN A 23 6.863 12.907 1.910 1.00 1.05 O ATOM 310 NE2 GLN A 23 7.151 12.749 4.123 1.00 1.24 N ATOM 0 H GLN A 23 6.720 8.659 3.213 1.00 0.19 H new ATOM 0 HA GLN A 23 4.143 9.023 2.354 1.00 0.18 H new ATOM 0 HB2 GLN A 23 6.787 10.197 1.394 1.00 0.20 H new ATOM 0 HB3 GLN A 23 5.229 10.883 0.979 1.00 0.20 H new ATOM 0 HG2 GLN A 23 4.743 11.405 3.269 1.00 0.24 H new ATOM 0 HG3 GLN A 23 6.100 10.458 3.844 1.00 0.24 H new ATOM 0 HE21 GLN A 23 6.946 12.243 4.985 1.00 1.24 H new ATOM 0 HE22 GLN A 23 7.747 13.577 4.147 1.00 1.24 H new ATOM 319 N THR A 24 5.988 7.824 -0.066 1.00 0.15 N ATOM 320 CA THR A 24 5.911 7.190 -1.369 1.00 0.14 C ATOM 321 C THR A 24 4.868 6.079 -1.369 1.00 0.12 C ATOM 322 O THR A 24 4.056 5.980 -2.285 1.00 0.12 O ATOM 323 CB THR A 24 7.288 6.644 -1.755 1.00 0.16 C ATOM 324 OG1 THR A 24 8.136 7.721 -2.179 1.00 0.19 O ATOM 325 CG2 THR A 24 7.181 5.587 -2.844 1.00 0.17 C ATOM 0 H THR A 24 6.916 7.806 0.357 1.00 0.15 H new ATOM 0 HA THR A 24 5.605 7.931 -2.107 1.00 0.14 H new ATOM 0 HB THR A 24 7.726 6.167 -0.878 1.00 0.16 H new ATOM 0 HG1 THR A 24 9.017 7.367 -2.423 1.00 0.19 H new ATOM 0 HG21 THR A 24 8.177 5.220 -3.094 1.00 0.17 H new ATOM 0 HG22 THR A 24 6.568 4.759 -2.488 1.00 0.17 H new ATOM 0 HG23 THR A 24 6.721 6.023 -3.731 1.00 0.17 H new ATOM 333 N LEU A 25 4.858 5.282 -0.317 1.00 0.12 N ATOM 334 CA LEU A 25 3.845 4.251 -0.160 1.00 0.11 C ATOM 335 C LEU A 25 2.545 4.908 0.237 1.00 0.11 C ATOM 336 O LEU A 25 1.484 4.585 -0.263 1.00 0.10 O ATOM 337 CB LEU A 25 4.252 3.290 0.930 1.00 0.12 C ATOM 338 CG LEU A 25 5.513 2.499 0.667 1.00 0.14 C ATOM 339 CD1 LEU A 25 6.204 2.217 1.983 1.00 0.32 C ATOM 340 CD2 LEU A 25 5.168 1.208 -0.051 1.00 0.39 C ATOM 0 H LEU A 25 5.538 5.327 0.442 1.00 0.12 H new ATOM 0 HA LEU A 25 3.732 3.708 -1.098 1.00 0.11 H new ATOM 0 HB2 LEU A 25 4.383 3.852 1.855 1.00 0.12 H new ATOM 0 HB3 LEU A 25 3.433 2.590 1.096 1.00 0.12 H new ATOM 0 HG LEU A 25 6.187 3.072 0.031 1.00 0.14 H new ATOM 0 HD11 LEU A 25 7.115 1.646 1.801 1.00 0.32 H new ATOM 0 HD12 LEU A 25 6.457 3.159 2.470 1.00 0.32 H new ATOM 0 HD13 LEU A 25 5.539 1.642 2.627 1.00 0.32 H new ATOM 0 HD21 LEU A 25 6.080 0.641 -0.239 1.00 0.39 H new ATOM 0 HD22 LEU A 25 4.494 0.616 0.568 1.00 0.39 H new ATOM 0 HD23 LEU A 25 4.682 1.438 -0.999 1.00 0.39 H new ATOM 352 N ALA A 26 2.666 5.874 1.120 1.00 0.12 N ATOM 353 CA ALA A 26 1.538 6.637 1.622 1.00 0.13 C ATOM 354 C ALA A 26 0.934 7.523 0.532 1.00 0.13 C ATOM 355 O ALA A 26 0.066 8.357 0.786 1.00 0.16 O ATOM 356 CB ALA A 26 2.012 7.457 2.812 1.00 0.16 C ATOM 0 H ALA A 26 3.562 6.158 1.517 1.00 0.12 H new ATOM 0 HA ALA A 26 0.745 5.959 1.938 1.00 0.13 H new ATOM 0 HB1 ALA A 26 1.180 8.040 3.207 1.00 0.16 H new ATOM 0 HB2 ALA A 26 2.388 6.789 3.587 1.00 0.16 H new ATOM 0 HB3 ALA A 26 2.809 8.130 2.496 1.00 0.16 H new ATOM 362 N THR A 27 1.421 7.320 -0.675 1.00 0.12 N ATOM 363 CA THR A 27 0.923 7.965 -1.858 1.00 0.12 C ATOM 364 C THR A 27 0.533 6.892 -2.870 1.00 0.11 C ATOM 365 O THR A 27 -0.556 6.907 -3.422 1.00 0.11 O ATOM 366 CB THR A 27 2.002 8.898 -2.447 1.00 0.15 C ATOM 367 OG1 THR A 27 2.025 10.137 -1.724 1.00 0.20 O ATOM 368 CG2 THR A 27 1.789 9.147 -3.929 1.00 0.15 C ATOM 0 H THR A 27 2.196 6.683 -0.858 1.00 0.12 H new ATOM 0 HA THR A 27 0.050 8.570 -1.613 1.00 0.12 H new ATOM 0 HB THR A 27 2.967 8.402 -2.341 1.00 0.15 H new ATOM 0 HG1 THR A 27 2.590 10.042 -0.929 1.00 0.20 H new ATOM 0 HG21 THR A 27 2.571 9.808 -4.303 1.00 0.15 H new ATOM 0 HG22 THR A 27 1.828 8.199 -4.466 1.00 0.15 H new ATOM 0 HG23 THR A 27 0.815 9.612 -4.084 1.00 0.15 H new ATOM 376 N LEU A 28 1.433 5.938 -3.051 1.00 0.09 N ATOM 377 CA LEU A 28 1.254 4.834 -3.966 1.00 0.09 C ATOM 378 C LEU A 28 0.166 3.887 -3.502 1.00 0.08 C ATOM 379 O LEU A 28 -0.647 3.421 -4.286 1.00 0.08 O ATOM 380 CB LEU A 28 2.552 4.062 -4.077 1.00 0.10 C ATOM 381 CG LEU A 28 2.362 2.604 -4.449 1.00 0.11 C ATOM 382 CD1 LEU A 28 2.455 2.404 -5.946 1.00 0.42 C ATOM 383 CD2 LEU A 28 3.335 1.727 -3.688 1.00 0.49 C ATOM 0 H LEU A 28 2.323 5.914 -2.554 1.00 0.09 H new ATOM 0 HA LEU A 28 0.961 5.247 -4.931 1.00 0.09 H new ATOM 0 HB2 LEU A 28 3.186 4.539 -4.824 1.00 0.10 H new ATOM 0 HB3 LEU A 28 3.082 4.120 -3.126 1.00 0.10 H new ATOM 0 HG LEU A 28 1.357 2.301 -4.156 1.00 0.11 H new ATOM 0 HD11 LEU A 28 2.315 1.349 -6.182 1.00 0.42 H new ATOM 0 HD12 LEU A 28 1.682 2.992 -6.440 1.00 0.42 H new ATOM 0 HD13 LEU A 28 3.436 2.727 -6.296 1.00 0.42 H new ATOM 0 HD21 LEU A 28 3.182 0.685 -3.969 1.00 0.49 H new ATOM 0 HD22 LEU A 28 4.356 2.022 -3.929 1.00 0.49 H new ATOM 0 HD23 LEU A 28 3.168 1.842 -2.617 1.00 0.49 H new ATOM 395 N VAL A 29 0.185 3.589 -2.227 1.00 0.08 N ATOM 396 CA VAL A 29 -0.782 2.685 -1.635 1.00 0.09 C ATOM 397 C VAL A 29 -2.167 3.296 -1.711 1.00 0.08 C ATOM 398 O VAL A 29 -3.179 2.609 -1.877 1.00 0.09 O ATOM 399 CB VAL A 29 -0.422 2.385 -0.172 1.00 0.10 C ATOM 400 CG1 VAL A 29 -1.572 1.695 0.542 1.00 0.11 C ATOM 401 CG2 VAL A 29 0.835 1.535 -0.122 1.00 0.10 C ATOM 0 H VAL A 29 0.868 3.963 -1.568 1.00 0.08 H new ATOM 0 HA VAL A 29 -0.768 1.748 -2.192 1.00 0.09 H new ATOM 0 HB VAL A 29 -0.234 3.326 0.345 1.00 0.10 H new ATOM 0 HG11 VAL A 29 -1.290 1.494 1.576 1.00 0.11 H new ATOM 0 HG12 VAL A 29 -2.451 2.340 0.524 1.00 0.11 H new ATOM 0 HG13 VAL A 29 -1.801 0.755 0.039 1.00 0.11 H new ATOM 0 HG21 VAL A 29 1.090 1.323 0.916 1.00 0.10 H new ATOM 0 HG22 VAL A 29 0.662 0.598 -0.652 1.00 0.10 H new ATOM 0 HG23 VAL A 29 1.657 2.073 -0.594 1.00 0.10 H new ATOM 411 N ALA A 30 -2.192 4.601 -1.612 1.00 0.08 N ATOM 412 CA ALA A 30 -3.411 5.352 -1.743 1.00 0.08 C ATOM 413 C ALA A 30 -3.767 5.518 -3.203 1.00 0.09 C ATOM 414 O ALA A 30 -4.922 5.632 -3.555 1.00 0.10 O ATOM 415 CB ALA A 30 -3.237 6.694 -1.097 1.00 0.08 C ATOM 0 H ALA A 30 -1.365 5.172 -1.438 1.00 0.08 H new ATOM 0 HA ALA A 30 -4.221 4.815 -1.249 1.00 0.08 H new ATOM 0 HB1 ALA A 30 -4.159 7.267 -1.194 1.00 0.08 H new ATOM 0 HB2 ALA A 30 -3.001 6.562 -0.041 1.00 0.08 H new ATOM 0 HB3 ALA A 30 -2.424 7.230 -1.586 1.00 0.08 H new ATOM 421 N ALA A 31 -2.747 5.559 -4.031 1.00 0.08 N ATOM 422 CA ALA A 31 -2.906 5.565 -5.473 1.00 0.09 C ATOM 423 C ALA A 31 -3.529 4.249 -5.891 1.00 0.09 C ATOM 424 O ALA A 31 -4.391 4.180 -6.767 1.00 0.11 O ATOM 425 CB ALA A 31 -1.544 5.765 -6.119 1.00 0.10 C ATOM 0 H ALA A 31 -1.775 5.589 -3.723 1.00 0.08 H new ATOM 0 HA ALA A 31 -3.557 6.378 -5.794 1.00 0.09 H new ATOM 0 HB1 ALA A 31 -1.653 5.771 -7.204 1.00 0.10 H new ATOM 0 HB2 ALA A 31 -1.122 6.715 -5.792 1.00 0.10 H new ATOM 0 HB3 ALA A 31 -0.879 4.952 -5.826 1.00 0.10 H new ATOM 431 N ALA A 32 -3.063 3.210 -5.229 1.00 0.09 N ATOM 432 CA ALA A 32 -3.627 1.883 -5.329 1.00 0.10 C ATOM 433 C ALA A 32 -5.094 1.880 -4.916 1.00 0.09 C ATOM 434 O ALA A 32 -5.945 1.346 -5.629 1.00 0.10 O ATOM 435 CB ALA A 32 -2.823 0.954 -4.444 1.00 0.12 C ATOM 0 H ALA A 32 -2.266 3.267 -4.595 1.00 0.09 H new ATOM 0 HA ALA A 32 -3.581 1.544 -6.364 1.00 0.10 H new ATOM 0 HB1 ALA A 32 -3.234 -0.054 -4.506 1.00 0.12 H new ATOM 0 HB2 ALA A 32 -1.785 0.944 -4.776 1.00 0.12 H new ATOM 0 HB3 ALA A 32 -2.871 1.302 -3.412 1.00 0.12 H new ATOM 441 N THR A 33 -5.400 2.488 -3.775 1.00 0.08 N ATOM 442 CA THR A 33 -6.772 2.513 -3.298 1.00 0.07 C ATOM 443 C THR A 33 -7.587 3.567 -4.052 1.00 0.08 C ATOM 444 O THR A 33 -8.816 3.534 -4.073 1.00 0.10 O ATOM 445 CB THR A 33 -6.840 2.782 -1.787 1.00 0.08 C ATOM 446 OG1 THR A 33 -5.899 1.945 -1.101 1.00 0.09 O ATOM 447 CG2 THR A 33 -8.243 2.515 -1.260 1.00 0.09 C ATOM 0 H THR A 33 -4.726 2.962 -3.174 1.00 0.08 H new ATOM 0 HA THR A 33 -7.200 1.528 -3.487 1.00 0.07 H new ATOM 0 HB THR A 33 -6.592 3.828 -1.609 1.00 0.08 H new ATOM 0 HG1 THR A 33 -4.988 2.244 -1.302 1.00 0.09 H new ATOM 0 HG21 THR A 33 -8.272 2.711 -0.188 1.00 0.09 H new ATOM 0 HG22 THR A 33 -8.953 3.168 -1.768 1.00 0.09 H new ATOM 0 HG23 THR A 33 -8.510 1.475 -1.446 1.00 0.09 H new ATOM 455 N ALA A 34 -6.902 4.500 -4.674 1.00 0.08 N ATOM 456 CA ALA A 34 -7.553 5.436 -5.558 1.00 0.09 C ATOM 457 C ALA A 34 -8.079 4.672 -6.764 1.00 0.11 C ATOM 458 O ALA A 34 -9.188 4.911 -7.239 1.00 0.20 O ATOM 459 CB ALA A 34 -6.586 6.545 -5.966 1.00 0.10 C ATOM 0 H ALA A 34 -5.894 4.630 -4.583 1.00 0.08 H new ATOM 0 HA ALA A 34 -8.390 5.917 -5.052 1.00 0.09 H new ATOM 0 HB1 ALA A 34 -7.093 7.243 -6.633 1.00 0.10 H new ATOM 0 HB2 ALA A 34 -6.245 7.076 -5.077 1.00 0.10 H new ATOM 0 HB3 ALA A 34 -5.729 6.110 -6.480 1.00 0.10 H new ATOM 465 N THR A 35 -7.295 3.693 -7.186 1.00 0.11 N ATOM 466 CA THR A 35 -7.623 2.850 -8.309 1.00 0.12 C ATOM 467 C THR A 35 -8.807 1.932 -7.989 1.00 0.11 C ATOM 468 O THR A 35 -9.781 1.877 -8.742 1.00 0.14 O ATOM 469 CB THR A 35 -6.397 2.000 -8.688 1.00 0.16 C ATOM 470 OG1 THR A 35 -5.606 2.671 -9.679 1.00 0.22 O ATOM 471 CG2 THR A 35 -6.817 0.628 -9.168 1.00 0.17 C ATOM 0 H THR A 35 -6.403 3.464 -6.748 1.00 0.11 H new ATOM 0 HA THR A 35 -7.906 3.489 -9.145 1.00 0.12 H new ATOM 0 HB THR A 35 -5.785 1.867 -7.796 1.00 0.16 H new ATOM 0 HG1 THR A 35 -4.830 2.118 -9.907 1.00 0.22 H new ATOM 0 HG21 THR A 35 -5.932 0.047 -9.429 1.00 0.17 H new ATOM 0 HG22 THR A 35 -7.365 0.117 -8.376 1.00 0.17 H new ATOM 0 HG23 THR A 35 -7.457 0.729 -10.045 1.00 0.17 H new ATOM 479 N VAL A 36 -8.712 1.230 -6.859 1.00 0.10 N ATOM 480 CA VAL A 36 -9.687 0.207 -6.488 1.00 0.11 C ATOM 481 C VAL A 36 -11.112 0.746 -6.489 1.00 0.13 C ATOM 482 O VAL A 36 -12.049 0.053 -6.879 1.00 0.17 O ATOM 483 CB VAL A 36 -9.376 -0.391 -5.099 1.00 0.09 C ATOM 484 CG1 VAL A 36 -8.127 -1.240 -5.117 1.00 0.18 C ATOM 485 CG2 VAL A 36 -9.269 0.681 -4.055 1.00 0.16 C ATOM 0 H VAL A 36 -7.961 1.354 -6.180 1.00 0.10 H new ATOM 0 HA VAL A 36 -9.609 -0.574 -7.244 1.00 0.11 H new ATOM 0 HB VAL A 36 -10.213 -1.039 -4.840 1.00 0.09 H new ATOM 0 HG11 VAL A 36 -7.945 -1.641 -4.120 1.00 0.18 H new ATOM 0 HG12 VAL A 36 -8.256 -2.062 -5.821 1.00 0.18 H new ATOM 0 HG13 VAL A 36 -7.277 -0.630 -5.423 1.00 0.18 H new ATOM 0 HG21 VAL A 36 -9.049 0.227 -3.089 1.00 0.16 H new ATOM 0 HG22 VAL A 36 -8.468 1.371 -4.322 1.00 0.16 H new ATOM 0 HG23 VAL A 36 -10.211 1.225 -3.994 1.00 0.16 H new ATOM 495 N LEU A 37 -11.267 1.985 -6.062 1.00 0.12 N ATOM 496 CA LEU A 37 -12.587 2.574 -5.922 1.00 0.16 C ATOM 497 C LEU A 37 -13.073 3.178 -7.236 1.00 0.25 C ATOM 498 O LEU A 37 -14.252 3.078 -7.571 1.00 0.65 O ATOM 499 CB LEU A 37 -12.556 3.622 -4.824 1.00 0.15 C ATOM 500 CG LEU A 37 -11.879 3.161 -3.538 1.00 0.13 C ATOM 501 CD1 LEU A 37 -11.720 4.327 -2.590 1.00 0.18 C ATOM 502 CD2 LEU A 37 -12.667 2.028 -2.895 1.00 0.15 C ATOM 0 H LEU A 37 -10.497 2.603 -5.806 1.00 0.12 H new ATOM 0 HA LEU A 37 -13.292 1.788 -5.651 1.00 0.16 H new ATOM 0 HB2 LEU A 37 -12.039 4.507 -5.196 1.00 0.15 H new ATOM 0 HB3 LEU A 37 -13.578 3.923 -4.595 1.00 0.15 H new ATOM 0 HG LEU A 37 -10.887 2.779 -3.777 1.00 0.13 H new ATOM 0 HD11 LEU A 37 -11.236 3.988 -1.674 1.00 0.18 H new ATOM 0 HD12 LEU A 37 -11.109 5.097 -3.060 1.00 0.18 H new ATOM 0 HD13 LEU A 37 -12.701 4.738 -2.351 1.00 0.18 H new ATOM 0 HD21 LEU A 37 -12.168 1.712 -1.979 1.00 0.15 H new ATOM 0 HD22 LEU A 37 -13.674 2.373 -2.660 1.00 0.15 H new ATOM 0 HD23 LEU A 37 -12.724 1.187 -3.586 1.00 0.15 H new ATOM 514 N GLY A 38 -12.167 3.809 -7.969 1.00 0.43 N ATOM 515 CA GLY A 38 -12.522 4.355 -9.266 1.00 0.49 C ATOM 516 C GLY A 38 -12.079 5.793 -9.427 1.00 0.51 C ATOM 517 O GLY A 38 -12.744 6.591 -10.083 1.00 0.62 O ATOM 0 H GLY A 38 -11.196 3.953 -7.692 1.00 0.43 H new ATOM 0 HA2 GLY A 38 -12.068 3.748 -10.049 1.00 0.49 H new ATOM 0 HA3 GLY A 38 -13.602 4.293 -9.400 1.00 0.49 H new ATOM 521 N HIS A 39 -10.955 6.126 -8.818 1.00 0.57 N ATOM 522 CA HIS A 39 -10.391 7.467 -8.893 1.00 0.68 C ATOM 523 C HIS A 39 -8.920 7.369 -9.251 1.00 0.82 C ATOM 524 O HIS A 39 -8.414 6.282 -9.531 1.00 1.81 O ATOM 525 CB HIS A 39 -10.550 8.201 -7.554 1.00 0.65 C ATOM 526 CG HIS A 39 -11.958 8.608 -7.245 1.00 0.73 C ATOM 527 ND1 HIS A 39 -12.421 9.899 -7.391 1.00 1.09 N ATOM 528 CD2 HIS A 39 -13.008 7.883 -6.794 1.00 0.67 C ATOM 529 CE1 HIS A 39 -13.695 9.947 -7.046 1.00 1.15 C ATOM 530 NE2 HIS A 39 -14.074 8.736 -6.680 1.00 0.88 N ATOM 0 H HIS A 39 -10.405 5.476 -8.256 1.00 0.57 H new ATOM 0 HA HIS A 39 -10.924 8.031 -9.658 1.00 0.68 H new ATOM 0 HB2 HIS A 39 -10.185 7.558 -6.753 1.00 0.65 H new ATOM 0 HB3 HIS A 39 -9.919 9.090 -7.562 1.00 0.65 H new ATOM 0 HD2 HIS A 39 -13.006 6.827 -6.566 1.00 0.67 H new ATOM 0 HE1 HIS A 39 -14.321 10.827 -7.061 1.00 1.15 H new ATOM 0 HE2 HIS A 39 -15.009 8.478 -6.364 1.00 0.88 H new ATOM 539 N HIS A 40 -8.233 8.494 -9.261 1.00 0.53 N ATOM 540 CA HIS A 40 -6.804 8.492 -9.512 1.00 0.48 C ATOM 541 C HIS A 40 -6.096 9.396 -8.513 1.00 0.45 C ATOM 542 O HIS A 40 -4.890 9.610 -8.604 1.00 0.59 O ATOM 543 CB HIS A 40 -6.507 8.932 -10.949 1.00 0.58 C ATOM 544 CG HIS A 40 -5.105 8.626 -11.388 1.00 0.73 C ATOM 545 ND1 HIS A 40 -4.193 9.598 -11.739 1.00 1.35 N ATOM 546 CD2 HIS A 40 -4.461 7.443 -11.528 1.00 0.62 C ATOM 547 CE1 HIS A 40 -3.051 9.027 -12.075 1.00 1.46 C ATOM 548 NE2 HIS A 40 -3.187 7.719 -11.955 1.00 0.94 N ATOM 0 H HIS A 40 -8.637 9.416 -9.099 1.00 0.53 H new ATOM 0 HA HIS A 40 -6.429 7.476 -9.387 1.00 0.48 H new ATOM 0 HB2 HIS A 40 -7.207 8.439 -11.624 1.00 0.58 H new ATOM 0 HB3 HIS A 40 -6.681 10.004 -11.036 1.00 0.58 H new ATOM 0 HD2 HIS A 40 -4.874 6.463 -11.338 1.00 0.62 H new ATOM 0 HE1 HIS A 40 -2.157 9.542 -12.394 1.00 1.46 H new ATOM 0 HE2 HIS A 40 -2.463 7.027 -12.148 1.00 0.94 H new ATOM 557 N THR A 41 -6.848 9.924 -7.556 1.00 0.46 N ATOM 558 CA THR A 41 -6.267 10.768 -6.530 1.00 0.55 C ATOM 559 C THR A 41 -5.964 10.000 -5.255 1.00 0.37 C ATOM 560 O THR A 41 -6.869 9.546 -4.558 1.00 0.45 O ATOM 561 CB THR A 41 -7.170 11.932 -6.146 1.00 0.92 C ATOM 562 OG1 THR A 41 -8.529 11.484 -6.018 1.00 1.97 O ATOM 563 CG2 THR A 41 -7.069 13.064 -7.145 1.00 0.56 C ATOM 0 H THR A 41 -7.855 9.782 -7.472 1.00 0.46 H new ATOM 0 HA THR A 41 -5.346 11.143 -6.976 1.00 0.55 H new ATOM 0 HB THR A 41 -6.835 12.316 -5.182 1.00 0.92 H new ATOM 0 HG1 THR A 41 -8.552 10.652 -5.501 1.00 1.97 H new ATOM 0 HG21 THR A 41 -7.727 13.878 -6.840 1.00 0.56 H new ATOM 0 HG22 THR A 41 -6.041 13.424 -7.185 1.00 0.56 H new ATOM 0 HG23 THR A 41 -7.367 12.707 -8.131 1.00 0.56 H new ATOM 571 N PRO A 42 -4.680 9.880 -4.936 1.00 0.24 N ATOM 572 CA PRO A 42 -4.210 9.325 -3.672 1.00 0.27 C ATOM 573 C PRO A 42 -4.418 10.322 -2.544 1.00 0.40 C ATOM 574 O PRO A 42 -4.403 9.971 -1.368 1.00 0.50 O ATOM 575 CB PRO A 42 -2.709 9.096 -3.908 1.00 0.31 C ATOM 576 CG PRO A 42 -2.489 9.337 -5.367 1.00 0.29 C ATOM 577 CD PRO A 42 -3.578 10.269 -5.800 1.00 0.27 C ATOM 0 HA PRO A 42 -4.740 8.416 -3.387 1.00 0.27 H new ATOM 0 HB2 PRO A 42 -2.109 9.776 -3.304 1.00 0.31 H new ATOM 0 HB3 PRO A 42 -2.419 8.083 -3.630 1.00 0.31 H new ATOM 0 HG2 PRO A 42 -1.507 9.774 -5.546 1.00 0.29 H new ATOM 0 HG3 PRO A 42 -2.529 8.403 -5.927 1.00 0.29 H new ATOM 0 HD2 PRO A 42 -3.300 11.313 -5.659 1.00 0.27 H new ATOM 0 HD3 PRO A 42 -3.824 10.145 -6.854 1.00 0.27 H new ATOM 585 N GLU A 43 -4.615 11.575 -2.934 1.00 0.43 N ATOM 586 CA GLU A 43 -4.850 12.662 -1.999 1.00 0.55 C ATOM 587 C GLU A 43 -6.204 12.493 -1.325 1.00 0.52 C ATOM 588 O GLU A 43 -6.330 12.605 -0.106 1.00 0.61 O ATOM 589 CB GLU A 43 -4.807 13.983 -2.748 1.00 0.68 C ATOM 590 CG GLU A 43 -3.536 14.156 -3.531 1.00 0.69 C ATOM 591 CD GLU A 43 -3.580 15.342 -4.464 1.00 1.18 C ATOM 592 OE1 GLU A 43 -3.091 16.420 -4.075 1.00 1.38 O ATOM 593 OE2 GLU A 43 -4.102 15.202 -5.588 1.00 1.82 O ATOM 0 H GLU A 43 -4.616 11.864 -3.912 1.00 0.43 H new ATOM 0 HA GLU A 43 -4.076 12.651 -1.232 1.00 0.55 H new ATOM 0 HB2 GLU A 43 -5.659 14.041 -3.426 1.00 0.68 H new ATOM 0 HB3 GLU A 43 -4.908 14.804 -2.038 1.00 0.68 H new ATOM 0 HG2 GLU A 43 -2.702 14.274 -2.839 1.00 0.69 H new ATOM 0 HG3 GLU A 43 -3.345 13.252 -4.109 1.00 0.69 H new ATOM 600 N SER A 44 -7.208 12.211 -2.148 1.00 0.44 N ATOM 601 CA SER A 44 -8.567 11.990 -1.682 1.00 0.43 C ATOM 602 C SER A 44 -8.640 10.728 -0.825 1.00 0.35 C ATOM 603 O SER A 44 -9.535 10.575 0.008 1.00 0.49 O ATOM 604 CB SER A 44 -9.501 11.869 -2.882 1.00 0.50 C ATOM 605 OG SER A 44 -10.861 11.821 -2.486 1.00 0.97 O ATOM 0 H SER A 44 -7.099 12.130 -3.159 1.00 0.44 H new ATOM 0 HA SER A 44 -8.876 12.836 -1.069 1.00 0.43 H new ATOM 0 HB2 SER A 44 -9.346 12.716 -3.550 1.00 0.50 H new ATOM 0 HB3 SER A 44 -9.254 10.969 -3.446 1.00 0.50 H new ATOM 0 HG SER A 44 -11.430 11.745 -3.280 1.00 0.97 H new ATOM 611 N ILE A 45 -7.691 9.830 -1.046 1.00 0.19 N ATOM 612 CA ILE A 45 -7.602 8.594 -0.288 1.00 0.13 C ATOM 613 C ILE A 45 -6.967 8.869 1.068 1.00 0.13 C ATOM 614 O ILE A 45 -5.750 8.755 1.230 1.00 0.19 O ATOM 615 CB ILE A 45 -6.763 7.547 -1.039 1.00 0.11 C ATOM 616 CG1 ILE A 45 -7.313 7.340 -2.449 1.00 0.12 C ATOM 617 CG2 ILE A 45 -6.720 6.224 -0.282 1.00 0.10 C ATOM 618 CD1 ILE A 45 -8.762 6.910 -2.502 1.00 0.11 C ATOM 0 H ILE A 45 -6.964 9.938 -1.753 1.00 0.19 H new ATOM 0 HA ILE A 45 -8.610 8.202 -0.154 1.00 0.13 H new ATOM 0 HB ILE A 45 -5.742 7.922 -1.111 1.00 0.11 H new ATOM 0 HG12 ILE A 45 -7.203 8.269 -3.008 1.00 0.12 H new ATOM 0 HG13 ILE A 45 -6.706 6.589 -2.955 1.00 0.12 H new ATOM 0 HG21 ILE A 45 -6.119 5.505 -0.839 1.00 0.10 H new ATOM 0 HG22 ILE A 45 -6.277 6.382 0.701 1.00 0.10 H new ATOM 0 HG23 ILE A 45 -7.733 5.838 -0.166 1.00 0.10 H new ATOM 0 HD11 ILE A 45 -9.067 6.787 -3.541 1.00 0.11 H new ATOM 0 HD12 ILE A 45 -8.880 5.963 -1.975 1.00 0.11 H new ATOM 0 HD13 ILE A 45 -9.384 7.669 -2.028 1.00 0.11 H new ATOM 630 N SER A 46 -7.787 9.266 2.025 1.00 0.11 N ATOM 631 CA SER A 46 -7.308 9.563 3.361 1.00 0.12 C ATOM 632 C SER A 46 -6.712 8.303 3.988 1.00 0.11 C ATOM 633 O SER A 46 -7.222 7.202 3.786 1.00 0.12 O ATOM 634 CB SER A 46 -8.450 10.099 4.212 1.00 0.16 C ATOM 635 OG SER A 46 -9.330 10.898 3.437 1.00 1.18 O ATOM 0 H SER A 46 -8.792 9.390 1.900 1.00 0.11 H new ATOM 0 HA SER A 46 -6.530 10.325 3.307 1.00 0.12 H new ATOM 0 HB2 SER A 46 -9.001 9.268 4.653 1.00 0.16 H new ATOM 0 HB3 SER A 46 -8.048 10.689 5.036 1.00 0.16 H new ATOM 0 HG SER A 46 -10.061 10.342 3.094 1.00 1.18 H new ATOM 641 N PRO A 47 -5.655 8.450 4.797 1.00 0.12 N ATOM 642 CA PRO A 47 -4.851 7.336 5.262 1.00 0.12 C ATOM 643 C PRO A 47 -5.363 6.792 6.569 1.00 0.10 C ATOM 644 O PRO A 47 -4.890 5.772 7.065 1.00 0.11 O ATOM 645 CB PRO A 47 -3.496 8.000 5.458 1.00 0.15 C ATOM 646 CG PRO A 47 -3.832 9.367 5.956 1.00 0.17 C ATOM 647 CD PRO A 47 -5.201 9.708 5.408 1.00 0.16 C ATOM 0 HA PRO A 47 -4.847 6.486 4.580 1.00 0.12 H new ATOM 0 HB2 PRO A 47 -2.884 7.453 6.175 1.00 0.15 H new ATOM 0 HB3 PRO A 47 -2.934 8.042 4.525 1.00 0.15 H new ATOM 0 HG2 PRO A 47 -3.835 9.392 7.046 1.00 0.17 H new ATOM 0 HG3 PRO A 47 -3.090 10.093 5.623 1.00 0.17 H new ATOM 0 HD2 PRO A 47 -5.877 10.037 6.197 1.00 0.16 H new ATOM 0 HD3 PRO A 47 -5.150 10.513 4.675 1.00 0.16 H new ATOM 655 N ALA A 48 -6.347 7.476 7.106 1.00 0.12 N ATOM 656 CA ALA A 48 -6.825 7.187 8.423 1.00 0.13 C ATOM 657 C ALA A 48 -8.333 6.963 8.419 1.00 0.13 C ATOM 658 O ALA A 48 -8.946 6.726 9.458 1.00 0.17 O ATOM 659 CB ALA A 48 -6.405 8.313 9.340 1.00 0.18 C ATOM 0 H ALA A 48 -6.831 8.243 6.639 1.00 0.12 H new ATOM 0 HA ALA A 48 -6.387 6.259 8.790 1.00 0.13 H new ATOM 0 HB1 ALA A 48 -6.760 8.111 10.350 1.00 0.18 H new ATOM 0 HB2 ALA A 48 -5.318 8.391 9.347 1.00 0.18 H new ATOM 0 HB3 ALA A 48 -6.833 9.250 8.985 1.00 0.18 H new ATOM 665 N THR A 49 -8.914 7.025 7.227 1.00 0.12 N ATOM 666 CA THR A 49 -10.325 6.758 7.032 1.00 0.12 C ATOM 667 C THR A 49 -10.636 5.283 7.266 1.00 0.10 C ATOM 668 O THR A 49 -11.613 4.951 7.936 1.00 0.10 O ATOM 669 CB THR A 49 -10.733 7.139 5.599 1.00 0.14 C ATOM 670 OG1 THR A 49 -10.809 8.559 5.466 1.00 0.20 O ATOM 671 CG2 THR A 49 -12.048 6.499 5.216 1.00 0.13 C ATOM 0 H THR A 49 -8.415 7.263 6.370 1.00 0.12 H new ATOM 0 HA THR A 49 -10.888 7.355 7.750 1.00 0.12 H new ATOM 0 HB THR A 49 -9.969 6.763 4.919 1.00 0.14 H new ATOM 0 HG1 THR A 49 -10.308 8.983 6.194 1.00 0.20 H new ATOM 0 HG21 THR A 49 -12.310 6.787 4.198 1.00 0.13 H new ATOM 0 HG22 THR A 49 -11.955 5.414 5.274 1.00 0.13 H new ATOM 0 HG23 THR A 49 -12.828 6.834 5.900 1.00 0.13 H new ATOM 679 N ALA A 50 -9.753 4.448 6.701 1.00 0.09 N ATOM 680 CA ALA A 50 -9.823 2.980 6.700 1.00 0.08 C ATOM 681 C ALA A 50 -10.310 2.486 5.365 1.00 0.08 C ATOM 682 O ALA A 50 -11.231 3.038 4.779 1.00 0.09 O ATOM 683 CB ALA A 50 -10.675 2.399 7.818 1.00 0.09 C ATOM 0 H ALA A 50 -8.930 4.795 6.208 1.00 0.09 H new ATOM 0 HA ALA A 50 -8.807 2.630 6.884 1.00 0.08 H new ATOM 0 HB1 ALA A 50 -10.675 1.311 7.747 1.00 0.09 H new ATOM 0 HB2 ALA A 50 -10.265 2.700 8.782 1.00 0.09 H new ATOM 0 HB3 ALA A 50 -11.696 2.769 7.727 1.00 0.09 H new ATOM 689 N PHE A 51 -9.638 1.458 4.885 1.00 0.08 N ATOM 690 CA PHE A 51 -9.986 0.795 3.641 1.00 0.09 C ATOM 691 C PHE A 51 -11.440 0.387 3.625 1.00 0.10 C ATOM 692 O PHE A 51 -12.143 0.594 2.639 1.00 0.10 O ATOM 693 CB PHE A 51 -9.115 -0.429 3.465 1.00 0.11 C ATOM 694 CG PHE A 51 -7.698 -0.088 3.180 1.00 0.11 C ATOM 695 CD1 PHE A 51 -7.385 0.798 2.171 1.00 0.11 C ATOM 696 CD2 PHE A 51 -6.683 -0.658 3.911 1.00 0.12 C ATOM 697 CE1 PHE A 51 -6.077 1.110 1.892 1.00 0.12 C ATOM 698 CE2 PHE A 51 -5.372 -0.352 3.644 1.00 0.13 C ATOM 699 CZ PHE A 51 -5.065 0.533 2.629 1.00 0.13 C ATOM 0 H PHE A 51 -8.826 1.054 5.352 1.00 0.08 H new ATOM 0 HA PHE A 51 -9.821 1.494 2.821 1.00 0.09 H new ATOM 0 HB2 PHE A 51 -9.163 -1.037 4.368 1.00 0.11 H new ATOM 0 HB3 PHE A 51 -9.509 -1.036 2.650 1.00 0.11 H new ATOM 0 HD1 PHE A 51 -8.177 1.252 1.594 1.00 0.11 H new ATOM 0 HD2 PHE A 51 -6.919 -1.353 4.703 1.00 0.12 H new ATOM 0 HE1 PHE A 51 -5.842 1.804 1.099 1.00 0.12 H new ATOM 0 HE2 PHE A 51 -4.582 -0.802 4.226 1.00 0.13 H new ATOM 0 HZ PHE A 51 -4.034 0.772 2.413 1.00 0.13 H new ATOM 709 N LYS A 52 -11.881 -0.199 4.725 1.00 0.11 N ATOM 710 CA LYS A 52 -13.272 -0.567 4.890 1.00 0.13 C ATOM 711 C LYS A 52 -14.167 0.628 4.634 1.00 0.12 C ATOM 712 O LYS A 52 -15.196 0.533 3.966 1.00 0.15 O ATOM 713 CB LYS A 52 -13.511 -1.038 6.314 1.00 0.17 C ATOM 714 CG LYS A 52 -12.730 -2.286 6.679 1.00 0.53 C ATOM 715 CD LYS A 52 -13.170 -2.865 8.013 1.00 0.64 C ATOM 716 CE LYS A 52 -12.995 -1.874 9.145 1.00 0.59 C ATOM 717 NZ LYS A 52 -13.366 -2.456 10.462 1.00 1.22 N ATOM 0 H LYS A 52 -11.288 -0.431 5.522 1.00 0.11 H new ATOM 0 HA LYS A 52 -13.502 -1.362 4.180 1.00 0.13 H new ATOM 0 HB2 LYS A 52 -13.243 -0.237 7.003 1.00 0.17 H new ATOM 0 HB3 LYS A 52 -14.575 -1.232 6.450 1.00 0.17 H new ATOM 0 HG2 LYS A 52 -12.860 -3.036 5.898 1.00 0.53 H new ATOM 0 HG3 LYS A 52 -11.667 -2.049 6.720 1.00 0.53 H new ATOM 0 HD2 LYS A 52 -14.216 -3.164 7.951 1.00 0.64 H new ATOM 0 HD3 LYS A 52 -12.593 -3.765 8.226 1.00 0.64 H new ATOM 0 HE2 LYS A 52 -11.958 -1.540 9.176 1.00 0.59 H new ATOM 0 HE3 LYS A 52 -13.608 -0.993 8.953 1.00 0.59 H new ATOM 0 HZ1 LYS A 52 -13.231 -1.743 11.207 1.00 1.22 H new ATOM 0 HZ2 LYS A 52 -14.363 -2.752 10.442 1.00 1.22 H new ATOM 0 HZ3 LYS A 52 -12.764 -3.281 10.659 1.00 1.22 H new ATOM 731 N ASP A 53 -13.741 1.757 5.170 1.00 0.11 N ATOM 732 CA ASP A 53 -14.508 2.986 5.091 1.00 0.11 C ATOM 733 C ASP A 53 -14.283 3.687 3.756 1.00 0.10 C ATOM 734 O ASP A 53 -14.916 4.698 3.448 1.00 0.18 O ATOM 735 CB ASP A 53 -14.138 3.922 6.246 1.00 0.12 C ATOM 736 CG ASP A 53 -14.661 3.427 7.579 1.00 0.58 C ATOM 737 OD1 ASP A 53 -13.859 2.896 8.377 1.00 1.14 O ATOM 738 OD2 ASP A 53 -15.873 3.561 7.842 1.00 0.67 O ATOM 0 H ASP A 53 -12.857 1.848 5.671 1.00 0.11 H new ATOM 0 HA ASP A 53 -15.564 2.729 5.168 1.00 0.11 H new ATOM 0 HB2 ASP A 53 -13.054 4.020 6.298 1.00 0.12 H new ATOM 0 HB3 ASP A 53 -14.539 4.916 6.048 1.00 0.12 H new ATOM 743 N LEU A 54 -13.366 3.142 2.975 1.00 0.08 N ATOM 744 CA LEU A 54 -13.035 3.680 1.666 1.00 0.08 C ATOM 745 C LEU A 54 -13.836 2.984 0.584 1.00 0.08 C ATOM 746 O LEU A 54 -14.103 3.559 -0.470 1.00 0.10 O ATOM 747 CB LEU A 54 -11.536 3.517 1.405 1.00 0.08 C ATOM 748 CG LEU A 54 -10.654 4.571 2.066 1.00 0.09 C ATOM 749 CD1 LEU A 54 -9.209 4.125 2.089 1.00 0.10 C ATOM 750 CD2 LEU A 54 -10.780 5.891 1.338 1.00 0.12 C ATOM 0 H LEU A 54 -12.829 2.313 3.231 1.00 0.08 H new ATOM 0 HA LEU A 54 -13.288 4.740 1.648 1.00 0.08 H new ATOM 0 HB2 LEU A 54 -11.225 2.532 1.755 1.00 0.08 H new ATOM 0 HB3 LEU A 54 -11.364 3.542 0.329 1.00 0.08 H new ATOM 0 HG LEU A 54 -10.990 4.701 3.095 1.00 0.09 H new ATOM 0 HD11 LEU A 54 -8.599 4.893 2.565 1.00 0.10 H new ATOM 0 HD12 LEU A 54 -9.124 3.194 2.650 1.00 0.10 H new ATOM 0 HD13 LEU A 54 -8.861 3.966 1.068 1.00 0.10 H new ATOM 0 HD21 LEU A 54 -10.145 6.634 1.820 1.00 0.12 H new ATOM 0 HD22 LEU A 54 -10.469 5.766 0.301 1.00 0.12 H new ATOM 0 HD23 LEU A 54 -11.817 6.225 1.368 1.00 0.12 H new ATOM 762 N GLY A 55 -14.237 1.753 0.856 1.00 0.09 N ATOM 763 CA GLY A 55 -14.968 0.988 -0.128 1.00 0.10 C ATOM 764 C GLY A 55 -14.313 -0.344 -0.382 1.00 0.10 C ATOM 765 O GLY A 55 -14.795 -1.147 -1.185 1.00 0.15 O ATOM 0 H GLY A 55 -14.069 1.271 1.739 1.00 0.09 H new ATOM 0 HA2 GLY A 55 -15.991 0.833 0.215 1.00 0.10 H new ATOM 0 HA3 GLY A 55 -15.026 1.551 -1.060 1.00 0.10 H new ATOM 769 N ILE A 56 -13.205 -0.569 0.303 1.00 0.09 N ATOM 770 CA ILE A 56 -12.486 -1.821 0.209 1.00 0.09 C ATOM 771 C ILE A 56 -13.313 -2.967 0.784 1.00 0.14 C ATOM 772 O ILE A 56 -13.509 -3.051 2.000 1.00 0.32 O ATOM 773 CB ILE A 56 -11.146 -1.767 0.973 1.00 0.10 C ATOM 774 CG1 ILE A 56 -10.128 -0.838 0.323 1.00 0.11 C ATOM 775 CG2 ILE A 56 -10.569 -3.143 1.122 1.00 0.15 C ATOM 776 CD1 ILE A 56 -10.187 -0.795 -1.181 1.00 0.10 C ATOM 0 H ILE A 56 -12.783 0.110 0.936 1.00 0.09 H new ATOM 0 HA ILE A 56 -12.293 -1.990 -0.850 1.00 0.09 H new ATOM 0 HB ILE A 56 -11.367 -1.356 1.958 1.00 0.10 H new ATOM 0 HG12 ILE A 56 -10.279 0.171 0.708 1.00 0.11 H new ATOM 0 HG13 ILE A 56 -9.128 -1.148 0.625 1.00 0.11 H new ATOM 0 HG21 ILE A 56 -9.625 -3.085 1.663 1.00 0.15 H new ATOM 0 HG22 ILE A 56 -11.266 -3.772 1.676 1.00 0.15 H new ATOM 0 HG23 ILE A 56 -10.396 -3.574 0.136 1.00 0.15 H new ATOM 0 HD11 ILE A 56 -9.427 -0.109 -1.555 1.00 0.10 H new ATOM 0 HD12 ILE A 56 -10.004 -1.792 -1.581 1.00 0.10 H new ATOM 0 HD13 ILE A 56 -11.173 -0.453 -1.497 1.00 0.10 H new ATOM 788 N ASP A 57 -13.830 -3.823 -0.081 1.00 0.19 N ATOM 789 CA ASP A 57 -14.466 -5.055 0.367 1.00 0.28 C ATOM 790 C ASP A 57 -13.991 -6.231 -0.469 1.00 0.28 C ATOM 791 O ASP A 57 -14.400 -6.365 -1.618 1.00 0.67 O ATOM 792 CB ASP A 57 -15.990 -4.946 0.286 1.00 0.52 C ATOM 793 CG ASP A 57 -16.695 -6.175 0.833 1.00 1.48 C ATOM 794 OD1 ASP A 57 -17.111 -6.159 2.014 1.00 2.34 O ATOM 795 OD2 ASP A 57 -16.827 -7.168 0.089 1.00 1.95 O ATOM 0 H ASP A 57 -13.823 -3.691 -1.092 1.00 0.19 H new ATOM 0 HA ASP A 57 -14.184 -5.218 1.407 1.00 0.28 H new ATOM 0 HB2 ASP A 57 -16.317 -4.067 0.841 1.00 0.52 H new ATOM 0 HB3 ASP A 57 -16.285 -4.795 -0.752 1.00 0.52 H new ATOM 800 N SER A 58 -13.110 -7.050 0.116 1.00 0.23 N ATOM 801 CA SER A 58 -12.595 -8.295 -0.495 1.00 0.26 C ATOM 802 C SER A 58 -11.983 -8.092 -1.886 1.00 0.19 C ATOM 803 O SER A 58 -10.765 -8.089 -2.032 1.00 0.17 O ATOM 804 CB SER A 58 -13.668 -9.399 -0.544 1.00 0.36 C ATOM 805 OG SER A 58 -14.921 -8.925 -1.012 1.00 1.25 O ATOM 0 H SER A 58 -12.724 -6.869 1.043 1.00 0.23 H new ATOM 0 HA SER A 58 -11.788 -8.617 0.163 1.00 0.26 H new ATOM 0 HB2 SER A 58 -13.324 -10.205 -1.192 1.00 0.36 H new ATOM 0 HB3 SER A 58 -13.794 -9.822 0.453 1.00 0.36 H new ATOM 0 HG SER A 58 -15.374 -8.435 -0.294 1.00 1.25 H new ATOM 811 N LEU A 59 -12.828 -7.932 -2.892 1.00 0.22 N ATOM 812 CA LEU A 59 -12.390 -7.803 -4.279 1.00 0.20 C ATOM 813 C LEU A 59 -11.383 -6.689 -4.431 1.00 0.14 C ATOM 814 O LEU A 59 -10.287 -6.883 -4.951 1.00 0.14 O ATOM 815 CB LEU A 59 -13.559 -7.483 -5.196 1.00 0.23 C ATOM 816 CG LEU A 59 -14.573 -8.602 -5.430 1.00 0.30 C ATOM 817 CD1 LEU A 59 -15.252 -9.025 -4.143 1.00 1.12 C ATOM 818 CD2 LEU A 59 -15.597 -8.138 -6.444 1.00 1.18 C ATOM 0 H LEU A 59 -13.840 -7.887 -2.773 1.00 0.22 H new ATOM 0 HA LEU A 59 -11.943 -8.759 -4.552 1.00 0.20 H new ATOM 0 HB2 LEU A 59 -14.089 -6.624 -4.785 1.00 0.23 H new ATOM 0 HB3 LEU A 59 -13.159 -7.178 -6.163 1.00 0.23 H new ATOM 0 HG LEU A 59 -14.043 -9.475 -5.812 1.00 0.30 H new ATOM 0 HD11 LEU A 59 -15.965 -9.822 -4.353 1.00 1.12 H new ATOM 0 HD12 LEU A 59 -14.503 -9.385 -3.438 1.00 1.12 H new ATOM 0 HD13 LEU A 59 -15.777 -8.173 -3.712 1.00 1.12 H new ATOM 0 HD21 LEU A 59 -16.324 -8.932 -6.616 1.00 1.18 H new ATOM 0 HD22 LEU A 59 -16.109 -7.253 -6.066 1.00 1.18 H new ATOM 0 HD23 LEU A 59 -15.097 -7.895 -7.381 1.00 1.18 H new ATOM 830 N THR A 60 -11.761 -5.517 -3.956 1.00 0.12 N ATOM 831 CA THR A 60 -10.909 -4.357 -4.084 1.00 0.10 C ATOM 832 C THR A 60 -9.809 -4.385 -3.046 1.00 0.09 C ATOM 833 O THR A 60 -8.846 -3.640 -3.134 1.00 0.10 O ATOM 834 CB THR A 60 -11.697 -3.051 -3.977 1.00 0.12 C ATOM 835 OG1 THR A 60 -12.743 -3.187 -3.004 1.00 0.16 O ATOM 836 CG2 THR A 60 -12.269 -2.680 -5.333 1.00 0.16 C ATOM 0 H THR A 60 -12.648 -5.347 -3.481 1.00 0.12 H new ATOM 0 HA THR A 60 -10.464 -4.396 -5.078 1.00 0.10 H new ATOM 0 HB THR A 60 -11.028 -2.253 -3.654 1.00 0.12 H new ATOM 0 HG1 THR A 60 -13.242 -2.346 -2.940 1.00 0.16 H new ATOM 0 HG21 THR A 60 -12.829 -1.749 -5.249 1.00 0.16 H new ATOM 0 HG22 THR A 60 -11.456 -2.552 -6.048 1.00 0.16 H new ATOM 0 HG23 THR A 60 -12.933 -3.473 -5.677 1.00 0.16 H new ATOM 844 N ALA A 61 -9.959 -5.255 -2.063 1.00 0.09 N ATOM 845 CA ALA A 61 -8.898 -5.481 -1.099 1.00 0.09 C ATOM 846 C ALA A 61 -7.825 -6.357 -1.727 1.00 0.09 C ATOM 847 O ALA A 61 -6.637 -6.205 -1.448 1.00 0.12 O ATOM 848 CB ALA A 61 -9.437 -6.117 0.171 1.00 0.10 C ATOM 0 H ALA A 61 -10.799 -5.813 -1.912 1.00 0.09 H new ATOM 0 HA ALA A 61 -8.463 -4.521 -0.823 1.00 0.09 H new ATOM 0 HB1 ALA A 61 -8.619 -6.274 0.874 1.00 0.10 H new ATOM 0 HB2 ALA A 61 -10.181 -5.459 0.620 1.00 0.10 H new ATOM 0 HB3 ALA A 61 -9.898 -7.075 -0.069 1.00 0.10 H new ATOM 854 N LEU A 62 -8.258 -7.282 -2.580 1.00 0.10 N ATOM 855 CA LEU A 62 -7.345 -8.099 -3.342 1.00 0.11 C ATOM 856 C LEU A 62 -6.750 -7.275 -4.469 1.00 0.11 C ATOM 857 O LEU A 62 -5.565 -7.344 -4.724 1.00 0.13 O ATOM 858 CB LEU A 62 -8.070 -9.296 -3.939 1.00 0.14 C ATOM 859 CG LEU A 62 -7.223 -10.547 -4.214 1.00 0.20 C ATOM 860 CD1 LEU A 62 -5.736 -10.229 -4.228 1.00 0.53 C ATOM 861 CD2 LEU A 62 -7.534 -11.622 -3.192 1.00 0.52 C ATOM 0 H LEU A 62 -9.244 -7.478 -2.755 1.00 0.10 H new ATOM 0 HA LEU A 62 -6.558 -8.453 -2.676 1.00 0.11 H new ATOM 0 HB2 LEU A 62 -8.880 -9.575 -3.265 1.00 0.14 H new ATOM 0 HB3 LEU A 62 -8.529 -8.983 -4.877 1.00 0.14 H new ATOM 0 HG LEU A 62 -7.483 -10.917 -5.206 1.00 0.20 H new ATOM 0 HD11 LEU A 62 -5.171 -11.140 -4.426 1.00 0.53 H new ATOM 0 HD12 LEU A 62 -5.528 -9.496 -5.008 1.00 0.53 H new ATOM 0 HD13 LEU A 62 -5.442 -9.822 -3.260 1.00 0.53 H new ATOM 0 HD21 LEU A 62 -6.928 -12.505 -3.396 1.00 0.52 H new ATOM 0 HD22 LEU A 62 -7.308 -11.250 -2.193 1.00 0.52 H new ATOM 0 HD23 LEU A 62 -8.590 -11.885 -3.251 1.00 0.52 H new ATOM 873 N GLU A 63 -7.570 -6.503 -5.156 1.00 0.10 N ATOM 874 CA GLU A 63 -7.097 -5.636 -6.205 1.00 0.11 C ATOM 875 C GLU A 63 -6.174 -4.569 -5.616 1.00 0.10 C ATOM 876 O GLU A 63 -5.188 -4.167 -6.238 1.00 0.12 O ATOM 877 CB GLU A 63 -8.331 -5.042 -6.884 1.00 0.14 C ATOM 878 CG GLU A 63 -8.096 -3.720 -7.547 1.00 0.41 C ATOM 879 CD GLU A 63 -7.281 -3.833 -8.821 1.00 0.59 C ATOM 880 OE1 GLU A 63 -6.109 -3.417 -8.829 1.00 0.72 O ATOM 881 OE2 GLU A 63 -7.815 -4.358 -9.822 1.00 0.83 O ATOM 0 H GLU A 63 -8.577 -6.463 -5.000 1.00 0.10 H new ATOM 0 HA GLU A 63 -6.507 -6.174 -6.947 1.00 0.11 H new ATOM 0 HB2 GLU A 63 -8.696 -5.749 -7.629 1.00 0.14 H new ATOM 0 HB3 GLU A 63 -9.120 -4.927 -6.141 1.00 0.14 H new ATOM 0 HG2 GLU A 63 -9.057 -3.259 -7.776 1.00 0.41 H new ATOM 0 HG3 GLU A 63 -7.582 -3.057 -6.851 1.00 0.41 H new ATOM 888 N LEU A 64 -6.478 -4.142 -4.390 1.00 0.09 N ATOM 889 CA LEU A 64 -5.569 -3.297 -3.634 1.00 0.09 C ATOM 890 C LEU A 64 -4.253 -4.023 -3.492 1.00 0.12 C ATOM 891 O LEU A 64 -3.174 -3.476 -3.714 1.00 0.17 O ATOM 892 CB LEU A 64 -6.112 -3.023 -2.230 1.00 0.12 C ATOM 893 CG LEU A 64 -6.016 -1.579 -1.766 1.00 0.17 C ATOM 894 CD1 LEU A 64 -6.511 -1.458 -0.336 1.00 0.43 C ATOM 895 CD2 LEU A 64 -4.585 -1.085 -1.886 1.00 0.44 C ATOM 0 H LEU A 64 -7.346 -4.370 -3.905 1.00 0.09 H new ATOM 0 HA LEU A 64 -5.452 -2.350 -4.161 1.00 0.09 H new ATOM 0 HB2 LEU A 64 -7.158 -3.329 -2.197 1.00 0.12 H new ATOM 0 HB3 LEU A 64 -5.573 -3.652 -1.521 1.00 0.12 H new ATOM 0 HG LEU A 64 -6.647 -0.957 -2.402 1.00 0.17 H new ATOM 0 HD11 LEU A 64 -6.438 -0.420 -0.012 1.00 0.43 H new ATOM 0 HD12 LEU A 64 -7.550 -1.783 -0.282 1.00 0.43 H new ATOM 0 HD13 LEU A 64 -5.901 -2.084 0.315 1.00 0.43 H new ATOM 0 HD21 LEU A 64 -4.528 -0.049 -1.551 1.00 0.44 H new ATOM 0 HD22 LEU A 64 -3.934 -1.703 -1.268 1.00 0.44 H new ATOM 0 HD23 LEU A 64 -4.264 -1.148 -2.926 1.00 0.44 H new ATOM 907 N ARG A 65 -4.391 -5.285 -3.150 1.00 0.12 N ATOM 908 CA ARG A 65 -3.265 -6.169 -2.902 1.00 0.15 C ATOM 909 C ARG A 65 -2.465 -6.346 -4.178 1.00 0.16 C ATOM 910 O ARG A 65 -1.246 -6.213 -4.193 1.00 0.19 O ATOM 911 CB ARG A 65 -3.771 -7.525 -2.362 1.00 0.18 C ATOM 912 CG ARG A 65 -2.690 -8.591 -2.176 1.00 0.33 C ATOM 913 CD ARG A 65 -2.384 -9.334 -3.472 1.00 0.43 C ATOM 914 NE ARG A 65 -1.319 -10.319 -3.308 1.00 0.78 N ATOM 915 CZ ARG A 65 -0.770 -11.001 -4.313 1.00 1.35 C ATOM 916 NH1 ARG A 65 -1.182 -10.808 -5.563 1.00 1.63 N ATOM 917 NH2 ARG A 65 0.194 -11.877 -4.061 1.00 1.72 N ATOM 0 H ARG A 65 -5.299 -5.735 -3.034 1.00 0.12 H new ATOM 0 HA ARG A 65 -2.611 -5.730 -2.148 1.00 0.15 H new ATOM 0 HB2 ARG A 65 -4.263 -7.357 -1.404 1.00 0.18 H new ATOM 0 HB3 ARG A 65 -4.527 -7.912 -3.045 1.00 0.18 H new ATOM 0 HG2 ARG A 65 -1.779 -8.121 -1.805 1.00 0.33 H new ATOM 0 HG3 ARG A 65 -3.012 -9.304 -1.418 1.00 0.33 H new ATOM 0 HD2 ARG A 65 -3.287 -9.833 -3.824 1.00 0.43 H new ATOM 0 HD3 ARG A 65 -2.097 -8.616 -4.241 1.00 0.43 H new ATOM 0 HE ARG A 65 -0.973 -10.496 -2.365 1.00 0.78 H new ATOM 0 HH11 ARG A 65 -1.923 -10.134 -5.758 1.00 1.63 H new ATOM 0 HH12 ARG A 65 -0.757 -11.334 -6.327 1.00 1.63 H new ATOM 0 HH21 ARG A 65 0.511 -12.025 -3.103 1.00 1.72 H new ATOM 0 HH22 ARG A 65 0.618 -12.402 -4.825 1.00 1.72 H new ATOM 931 N ASN A 66 -3.182 -6.636 -5.241 1.00 0.14 N ATOM 932 CA ASN A 66 -2.609 -6.854 -6.551 1.00 0.16 C ATOM 933 C ASN A 66 -1.780 -5.659 -7.001 1.00 0.16 C ATOM 934 O ASN A 66 -0.747 -5.828 -7.648 1.00 0.21 O ATOM 935 CB ASN A 66 -3.733 -7.168 -7.542 1.00 0.20 C ATOM 936 CG ASN A 66 -4.259 -8.580 -7.365 1.00 0.32 C ATOM 937 OD1 ASN A 66 -3.534 -9.474 -6.920 1.00 0.83 O ATOM 938 ND2 ASN A 66 -5.521 -8.794 -7.705 1.00 0.34 N ATOM 0 H ASN A 66 -4.198 -6.729 -5.219 1.00 0.14 H new ATOM 0 HA ASN A 66 -1.928 -7.704 -6.508 1.00 0.16 H new ATOM 0 HB2 ASN A 66 -4.547 -6.457 -7.406 1.00 0.20 H new ATOM 0 HB3 ASN A 66 -3.366 -7.041 -8.561 1.00 0.20 H new ATOM 0 HD21 ASN A 66 -5.926 -9.725 -7.603 1.00 0.34 H new ATOM 0 HD22 ASN A 66 -6.088 -8.028 -8.069 1.00 0.34 H new ATOM 945 N THR A 67 -2.210 -4.458 -6.638 1.00 0.14 N ATOM 946 CA THR A 67 -1.435 -3.271 -6.942 1.00 0.15 C ATOM 947 C THR A 67 -0.308 -3.074 -5.931 1.00 0.16 C ATOM 948 O THR A 67 0.855 -2.916 -6.312 1.00 0.21 O ATOM 949 CB THR A 67 -2.315 -2.013 -6.971 1.00 0.17 C ATOM 950 OG1 THR A 67 -3.364 -2.172 -7.935 1.00 0.22 O ATOM 951 CG2 THR A 67 -1.481 -0.779 -7.302 1.00 0.19 C ATOM 0 H THR A 67 -3.082 -4.284 -6.138 1.00 0.14 H new ATOM 0 HA THR A 67 -1.006 -3.421 -7.933 1.00 0.15 H new ATOM 0 HB THR A 67 -2.755 -1.875 -5.983 1.00 0.17 H new ATOM 0 HG1 THR A 67 -4.039 -2.791 -7.585 1.00 0.22 H new ATOM 0 HG21 THR A 67 -2.124 0.101 -7.317 1.00 0.19 H new ATOM 0 HG22 THR A 67 -0.707 -0.650 -6.546 1.00 0.19 H new ATOM 0 HG23 THR A 67 -1.016 -0.906 -8.280 1.00 0.19 H new ATOM 959 N LEU A 68 -0.653 -3.091 -4.644 1.00 0.17 N ATOM 960 CA LEU A 68 0.324 -2.848 -3.591 1.00 0.20 C ATOM 961 C LEU A 68 1.488 -3.824 -3.710 1.00 0.20 C ATOM 962 O LEU A 68 2.645 -3.411 -3.724 1.00 0.23 O ATOM 963 CB LEU A 68 -0.335 -2.908 -2.189 1.00 0.30 C ATOM 964 CG LEU A 68 -0.688 -4.292 -1.628 1.00 0.79 C ATOM 965 CD1 LEU A 68 0.487 -4.909 -0.880 1.00 1.38 C ATOM 966 CD2 LEU A 68 -1.888 -4.195 -0.704 1.00 1.40 C ATOM 0 H LEU A 68 -1.600 -3.270 -4.309 1.00 0.17 H new ATOM 0 HA LEU A 68 0.719 -1.840 -3.714 1.00 0.20 H new ATOM 0 HB2 LEU A 68 0.335 -2.420 -1.482 1.00 0.30 H new ATOM 0 HB3 LEU A 68 -1.249 -2.316 -2.222 1.00 0.30 H new ATOM 0 HG LEU A 68 -0.930 -4.937 -2.473 1.00 0.79 H new ATOM 0 HD11 LEU A 68 0.200 -5.888 -0.497 1.00 1.38 H new ATOM 0 HD12 LEU A 68 1.333 -5.018 -1.558 1.00 1.38 H new ATOM 0 HD13 LEU A 68 0.769 -4.263 -0.049 1.00 1.38 H new ATOM 0 HD21 LEU A 68 -2.127 -5.184 -0.313 1.00 1.40 H new ATOM 0 HD22 LEU A 68 -1.657 -3.524 0.123 1.00 1.40 H new ATOM 0 HD23 LEU A 68 -2.743 -3.807 -1.258 1.00 1.40 H new ATOM 978 N THR A 69 1.175 -5.108 -3.827 1.00 0.22 N ATOM 979 CA THR A 69 2.165 -6.148 -3.989 1.00 0.25 C ATOM 980 C THR A 69 3.054 -5.891 -5.195 1.00 0.25 C ATOM 981 O THR A 69 4.263 -6.074 -5.141 1.00 0.33 O ATOM 982 CB THR A 69 1.442 -7.503 -4.146 1.00 0.34 C ATOM 983 OG1 THR A 69 1.222 -8.099 -2.864 1.00 1.01 O ATOM 984 CG2 THR A 69 2.205 -8.446 -5.056 1.00 0.65 C ATOM 0 H THR A 69 0.215 -5.453 -3.811 1.00 0.22 H new ATOM 0 HA THR A 69 2.805 -6.161 -3.107 1.00 0.25 H new ATOM 0 HB THR A 69 0.477 -7.313 -4.615 1.00 0.34 H new ATOM 0 HG1 THR A 69 2.084 -8.310 -2.449 1.00 1.01 H new ATOM 0 HG21 THR A 69 1.663 -9.388 -5.140 1.00 0.65 H new ATOM 0 HG22 THR A 69 2.306 -7.996 -6.044 1.00 0.65 H new ATOM 0 HG23 THR A 69 3.195 -8.633 -4.639 1.00 0.65 H new ATOM 992 N HIS A 70 2.444 -5.444 -6.271 1.00 0.21 N ATOM 993 CA HIS A 70 3.153 -5.253 -7.522 1.00 0.22 C ATOM 994 C HIS A 70 4.148 -4.105 -7.415 1.00 0.21 C ATOM 995 O HIS A 70 5.212 -4.143 -8.021 1.00 0.28 O ATOM 996 CB HIS A 70 2.136 -5.000 -8.640 1.00 0.24 C ATOM 997 CG HIS A 70 2.728 -4.756 -9.998 1.00 0.30 C ATOM 998 ND1 HIS A 70 2.705 -5.692 -11.011 1.00 0.39 N ATOM 999 CD2 HIS A 70 3.325 -3.659 -10.518 1.00 0.34 C ATOM 1000 CE1 HIS A 70 3.263 -5.179 -12.092 1.00 0.45 C ATOM 1001 NE2 HIS A 70 3.646 -3.948 -11.818 1.00 0.41 N ATOM 0 H HIS A 70 1.453 -5.204 -6.307 1.00 0.21 H new ATOM 0 HA HIS A 70 3.723 -6.152 -7.754 1.00 0.22 H new ATOM 0 HB2 HIS A 70 1.467 -5.858 -8.702 1.00 0.24 H new ATOM 0 HB3 HIS A 70 1.526 -4.139 -8.367 1.00 0.24 H new ATOM 0 HD2 HIS A 70 3.514 -2.728 -10.004 1.00 0.34 H new ATOM 0 HE1 HIS A 70 3.385 -5.682 -13.040 1.00 0.45 H new ATOM 0 HE2 HIS A 70 4.107 -3.313 -12.469 1.00 0.41 H new ATOM 1010 N ASN A 71 3.794 -3.088 -6.651 1.00 0.19 N ATOM 1011 CA ASN A 71 4.648 -1.917 -6.513 1.00 0.22 C ATOM 1012 C ASN A 71 5.652 -2.056 -5.380 1.00 0.20 C ATOM 1013 O ASN A 71 6.609 -1.290 -5.304 1.00 0.25 O ATOM 1014 CB ASN A 71 3.811 -0.669 -6.311 1.00 0.32 C ATOM 1015 CG ASN A 71 3.064 -0.282 -7.568 1.00 0.61 C ATOM 1016 OD1 ASN A 71 3.570 0.467 -8.405 1.00 1.44 O ATOM 1017 ND2 ASN A 71 1.861 -0.801 -7.709 1.00 0.22 N ATOM 0 H ASN A 71 2.926 -3.046 -6.118 1.00 0.19 H new ATOM 0 HA ASN A 71 5.214 -1.831 -7.441 1.00 0.22 H new ATOM 0 HB2 ASN A 71 3.099 -0.836 -5.503 1.00 0.32 H new ATOM 0 HB3 ASN A 71 4.455 0.155 -6.003 1.00 0.32 H new ATOM 0 HD21 ASN A 71 1.307 -0.587 -8.539 1.00 0.22 H new ATOM 0 HD22 ASN A 71 1.484 -1.417 -6.989 1.00 0.22 H new ATOM 1024 N THR A 72 5.438 -3.024 -4.497 1.00 0.18 N ATOM 1025 CA THR A 72 6.299 -3.190 -3.341 1.00 0.19 C ATOM 1026 C THR A 72 7.041 -4.505 -3.388 1.00 0.23 C ATOM 1027 O THR A 72 7.959 -4.729 -2.604 1.00 0.25 O ATOM 1028 CB THR A 72 5.477 -3.108 -2.054 1.00 0.19 C ATOM 1029 OG1 THR A 72 4.502 -4.158 -2.039 1.00 0.21 O ATOM 1030 CG2 THR A 72 4.778 -1.758 -1.979 1.00 0.16 C ATOM 0 H THR A 72 4.678 -3.701 -4.562 1.00 0.18 H new ATOM 0 HA THR A 72 7.033 -2.384 -3.357 1.00 0.19 H new ATOM 0 HB THR A 72 6.139 -3.219 -1.195 1.00 0.19 H new ATOM 0 HG1 THR A 72 3.679 -3.846 -2.470 1.00 0.21 H new ATOM 0 HG21 THR A 72 4.193 -1.702 -1.061 1.00 0.16 H new ATOM 0 HG22 THR A 72 5.523 -0.962 -1.984 1.00 0.16 H new ATOM 0 HG23 THR A 72 4.117 -1.642 -2.838 1.00 0.16 H new ATOM 1038 N GLY A 73 6.616 -5.385 -4.277 1.00 0.27 N ATOM 1039 CA GLY A 73 7.362 -6.591 -4.521 1.00 0.35 C ATOM 1040 C GLY A 73 7.101 -7.653 -3.483 1.00 0.39 C ATOM 1041 O GLY A 73 7.784 -8.675 -3.438 1.00 0.46 O ATOM 0 H GLY A 73 5.767 -5.283 -4.833 1.00 0.27 H new ATOM 0 HA2 GLY A 73 7.105 -6.980 -5.506 1.00 0.35 H new ATOM 0 HA3 GLY A 73 8.427 -6.358 -4.538 1.00 0.35 H new ATOM 1045 N LEU A 74 6.115 -7.407 -2.646 1.00 0.39 N ATOM 1046 CA LEU A 74 5.811 -8.295 -1.553 1.00 0.45 C ATOM 1047 C LEU A 74 4.752 -9.296 -1.932 1.00 0.62 C ATOM 1048 O LEU A 74 3.594 -8.957 -2.163 1.00 1.10 O ATOM 1049 CB LEU A 74 5.378 -7.487 -0.344 1.00 0.46 C ATOM 1050 CG LEU A 74 6.073 -7.884 0.939 1.00 0.53 C ATOM 1051 CD1 LEU A 74 7.560 -7.631 0.794 1.00 1.12 C ATOM 1052 CD2 LEU A 74 5.493 -7.124 2.114 1.00 0.94 C ATOM 0 H LEU A 74 5.507 -6.590 -2.707 1.00 0.39 H new ATOM 0 HA LEU A 74 6.712 -8.856 -1.306 1.00 0.45 H new ATOM 0 HB2 LEU A 74 5.569 -6.431 -0.537 1.00 0.46 H new ATOM 0 HB3 LEU A 74 4.302 -7.597 -0.212 1.00 0.46 H new ATOM 0 HG LEU A 74 5.915 -8.945 1.131 1.00 0.53 H new ATOM 0 HD11 LEU A 74 8.069 -7.915 1.715 1.00 1.12 H new ATOM 0 HD12 LEU A 74 7.951 -8.223 -0.034 1.00 1.12 H new ATOM 0 HD13 LEU A 74 7.731 -6.573 0.596 1.00 1.12 H new ATOM 0 HD21 LEU A 74 6.005 -7.422 3.029 1.00 0.94 H new ATOM 0 HD22 LEU A 74 5.626 -6.054 1.956 1.00 0.94 H new ATOM 0 HD23 LEU A 74 4.430 -7.348 2.204 1.00 0.94 H new ATOM 1064 N ASP A 75 5.168 -10.539 -1.951 1.00 0.54 N ATOM 1065 CA ASP A 75 4.334 -11.629 -2.408 1.00 0.72 C ATOM 1066 C ASP A 75 3.564 -12.241 -1.242 1.00 0.78 C ATOM 1067 O ASP A 75 3.864 -13.342 -0.777 1.00 0.98 O ATOM 1068 CB ASP A 75 5.213 -12.668 -3.074 1.00 1.04 C ATOM 1069 CG ASP A 75 4.424 -13.754 -3.790 1.00 1.31 C ATOM 1070 OD1 ASP A 75 4.116 -14.788 -3.154 1.00 1.45 O ATOM 1071 OD2 ASP A 75 4.097 -13.580 -4.984 1.00 1.55 O ATOM 0 H ASP A 75 6.099 -10.827 -1.649 1.00 0.54 H new ATOM 0 HA ASP A 75 3.604 -11.255 -3.126 1.00 0.72 H new ATOM 0 HB2 ASP A 75 5.869 -12.173 -3.790 1.00 1.04 H new ATOM 0 HB3 ASP A 75 5.852 -13.129 -2.321 1.00 1.04 H new ATOM 1076 N LEU A 76 2.612 -11.481 -0.740 1.00 0.91 N ATOM 1077 CA LEU A 76 1.713 -11.955 0.305 1.00 1.31 C ATOM 1078 C LEU A 76 0.292 -12.070 -0.230 1.00 0.97 C ATOM 1079 O LEU A 76 -0.114 -11.299 -1.098 1.00 0.95 O ATOM 1080 CB LEU A 76 1.726 -11.016 1.522 1.00 1.98 C ATOM 1081 CG LEU A 76 2.924 -11.148 2.474 1.00 2.77 C ATOM 1082 CD1 LEU A 76 3.109 -12.590 2.922 1.00 3.54 C ATOM 1083 CD2 LEU A 76 4.194 -10.621 1.830 1.00 3.31 C ATOM 0 H LEU A 76 2.436 -10.522 -1.039 1.00 0.91 H new ATOM 0 HA LEU A 76 2.065 -12.937 0.621 1.00 1.31 H new ATOM 0 HB2 LEU A 76 1.688 -9.988 1.161 1.00 1.98 H new ATOM 0 HB3 LEU A 76 0.814 -11.186 2.095 1.00 1.98 H new ATOM 0 HG LEU A 76 2.715 -10.542 3.356 1.00 2.77 H new ATOM 0 HD11 LEU A 76 3.964 -12.655 3.595 1.00 3.54 H new ATOM 0 HD12 LEU A 76 2.212 -12.928 3.441 1.00 3.54 H new ATOM 0 HD13 LEU A 76 3.284 -13.222 2.051 1.00 3.54 H new ATOM 0 HD21 LEU A 76 5.026 -10.727 2.526 1.00 3.31 H new ATOM 0 HD22 LEU A 76 4.405 -11.189 0.924 1.00 3.31 H new ATOM 0 HD23 LEU A 76 4.064 -9.569 1.577 1.00 3.31 H new ATOM 1095 N PRO A 77 -0.468 -13.057 0.271 1.00 1.11 N ATOM 1096 CA PRO A 77 -1.884 -13.239 -0.078 1.00 1.07 C ATOM 1097 C PRO A 77 -2.764 -12.100 0.460 1.00 0.78 C ATOM 1098 O PRO A 77 -2.245 -11.151 1.046 1.00 0.84 O ATOM 1099 CB PRO A 77 -2.244 -14.573 0.597 1.00 1.63 C ATOM 1100 CG PRO A 77 -1.255 -14.732 1.696 1.00 1.97 C ATOM 1101 CD PRO A 77 0.008 -14.088 1.210 1.00 1.67 C ATOM 0 HA PRO A 77 -2.048 -13.236 -1.156 1.00 1.07 H new ATOM 0 HB2 PRO A 77 -3.263 -14.557 0.983 1.00 1.63 H new ATOM 0 HB3 PRO A 77 -2.184 -15.401 -0.110 1.00 1.63 H new ATOM 0 HG2 PRO A 77 -1.608 -14.257 2.611 1.00 1.97 H new ATOM 0 HG3 PRO A 77 -1.093 -15.785 1.926 1.00 1.97 H new ATOM 0 HD2 PRO A 77 0.577 -13.651 2.031 1.00 1.67 H new ATOM 0 HD3 PRO A 77 0.661 -14.808 0.717 1.00 1.67 H new ATOM 1109 N PRO A 78 -4.101 -12.156 0.239 1.00 0.60 N ATOM 1110 CA PRO A 78 -5.058 -11.180 0.800 1.00 0.50 C ATOM 1111 C PRO A 78 -4.990 -11.050 2.329 1.00 0.67 C ATOM 1112 O PRO A 78 -3.981 -11.380 2.953 1.00 1.62 O ATOM 1113 CB PRO A 78 -6.430 -11.736 0.389 1.00 0.60 C ATOM 1114 CG PRO A 78 -6.176 -13.134 -0.062 1.00 0.76 C ATOM 1115 CD PRO A 78 -4.788 -13.133 -0.619 1.00 0.75 C ATOM 0 HA PRO A 78 -4.843 -10.178 0.428 1.00 0.50 H new ATOM 0 HB2 PRO A 78 -7.128 -11.715 1.226 1.00 0.60 H new ATOM 0 HB3 PRO A 78 -6.871 -11.140 -0.410 1.00 0.60 H new ATOM 0 HG2 PRO A 78 -6.265 -13.835 0.768 1.00 0.76 H new ATOM 0 HG3 PRO A 78 -6.901 -13.440 -0.817 1.00 0.76 H new ATOM 0 HD2 PRO A 78 -4.327 -14.119 -0.561 1.00 0.75 H new ATOM 0 HD3 PRO A 78 -4.772 -12.835 -1.667 1.00 0.75 H new ATOM 1123 N THR A 79 -6.078 -10.554 2.927 1.00 0.55 N ATOM 1124 CA THR A 79 -6.174 -10.286 4.365 1.00 0.40 C ATOM 1125 C THR A 79 -5.123 -9.287 4.853 1.00 0.33 C ATOM 1126 O THR A 79 -4.916 -9.129 6.056 1.00 0.37 O ATOM 1127 CB THR A 79 -6.157 -11.567 5.237 1.00 0.45 C ATOM 1128 OG1 THR A 79 -4.932 -12.300 5.086 1.00 0.52 O ATOM 1129 CG2 THR A 79 -7.329 -12.468 4.886 1.00 0.53 C ATOM 0 H THR A 79 -6.931 -10.324 2.417 1.00 0.55 H new ATOM 0 HA THR A 79 -7.155 -9.828 4.493 1.00 0.40 H new ATOM 0 HB THR A 79 -6.239 -11.247 6.276 1.00 0.45 H new ATOM 0 HG1 THR A 79 -4.316 -11.793 4.517 1.00 0.52 H new ATOM 0 HG21 THR A 79 -7.300 -13.362 5.509 1.00 0.53 H new ATOM 0 HG22 THR A 79 -8.263 -11.934 5.061 1.00 0.53 H new ATOM 0 HG23 THR A 79 -7.266 -12.755 3.836 1.00 0.53 H new ATOM 1137 N LEU A 80 -4.481 -8.596 3.918 1.00 0.32 N ATOM 1138 CA LEU A 80 -3.559 -7.524 4.261 1.00 0.32 C ATOM 1139 C LEU A 80 -4.338 -6.298 4.703 1.00 0.22 C ATOM 1140 O LEU A 80 -3.912 -5.567 5.588 1.00 0.21 O ATOM 1141 CB LEU A 80 -2.664 -7.173 3.068 1.00 0.43 C ATOM 1142 CG LEU A 80 -1.751 -8.298 2.575 1.00 1.21 C ATOM 1143 CD1 LEU A 80 -0.972 -7.849 1.348 1.00 1.91 C ATOM 1144 CD2 LEU A 80 -0.799 -8.738 3.676 1.00 1.97 C ATOM 0 H LEU A 80 -4.583 -8.760 2.917 1.00 0.32 H new ATOM 0 HA LEU A 80 -2.923 -7.863 5.079 1.00 0.32 H new ATOM 0 HB2 LEU A 80 -3.299 -6.855 2.241 1.00 0.43 H new ATOM 0 HB3 LEU A 80 -2.044 -6.319 3.340 1.00 0.43 H new ATOM 0 HG LEU A 80 -2.373 -9.149 2.300 1.00 1.21 H new ATOM 0 HD11 LEU A 80 -0.327 -8.660 1.009 1.00 1.91 H new ATOM 0 HD12 LEU A 80 -1.668 -7.583 0.553 1.00 1.91 H new ATOM 0 HD13 LEU A 80 -0.362 -6.982 1.602 1.00 1.91 H new ATOM 0 HD21 LEU A 80 -0.159 -9.538 3.305 1.00 1.97 H new ATOM 0 HD22 LEU A 80 -0.183 -7.893 3.983 1.00 1.97 H new ATOM 0 HD23 LEU A 80 -1.372 -9.098 4.530 1.00 1.97 H new ATOM 1156 N ILE A 81 -5.492 -6.092 4.080 1.00 0.18 N ATOM 1157 CA ILE A 81 -6.373 -4.979 4.429 1.00 0.13 C ATOM 1158 C ILE A 81 -6.996 -5.212 5.796 1.00 0.15 C ATOM 1159 O ILE A 81 -7.215 -4.286 6.568 1.00 0.16 O ATOM 1160 CB ILE A 81 -7.493 -4.799 3.376 1.00 0.12 C ATOM 1161 CG1 ILE A 81 -6.902 -4.687 1.990 1.00 0.13 C ATOM 1162 CG2 ILE A 81 -8.309 -3.555 3.635 1.00 0.13 C ATOM 1163 CD1 ILE A 81 -5.748 -3.732 1.926 1.00 0.13 C ATOM 0 H ILE A 81 -5.843 -6.683 3.326 1.00 0.18 H new ATOM 0 HA ILE A 81 -5.770 -4.071 4.452 1.00 0.13 H new ATOM 0 HB ILE A 81 -8.137 -5.675 3.449 1.00 0.12 H new ATOM 0 HG12 ILE A 81 -6.571 -5.672 1.660 1.00 0.13 H new ATOM 0 HG13 ILE A 81 -7.676 -4.361 1.295 1.00 0.13 H new ATOM 0 HG21 ILE A 81 -9.085 -3.464 2.875 1.00 0.13 H new ATOM 0 HG22 ILE A 81 -8.772 -3.622 4.620 1.00 0.13 H new ATOM 0 HG23 ILE A 81 -7.660 -2.680 3.598 1.00 0.13 H new ATOM 0 HD11 ILE A 81 -5.364 -3.693 0.907 1.00 0.13 H new ATOM 0 HD12 ILE A 81 -6.081 -2.739 2.227 1.00 0.13 H new ATOM 0 HD13 ILE A 81 -4.959 -4.069 2.598 1.00 0.13 H new ATOM 1175 N PHE A 82 -7.279 -6.466 6.078 1.00 0.20 N ATOM 1176 CA PHE A 82 -7.864 -6.855 7.343 1.00 0.25 C ATOM 1177 C PHE A 82 -6.846 -6.766 8.476 1.00 0.25 C ATOM 1178 O PHE A 82 -7.208 -6.526 9.628 1.00 0.30 O ATOM 1179 CB PHE A 82 -8.429 -8.263 7.209 1.00 0.32 C ATOM 1180 CG PHE A 82 -9.567 -8.338 6.230 1.00 0.36 C ATOM 1181 CD1 PHE A 82 -10.867 -8.473 6.682 1.00 0.46 C ATOM 1182 CD2 PHE A 82 -9.343 -8.255 4.860 1.00 0.34 C ATOM 1183 CE1 PHE A 82 -11.922 -8.525 5.794 1.00 0.52 C ATOM 1184 CE2 PHE A 82 -10.395 -8.309 3.969 1.00 0.40 C ATOM 1185 CZ PHE A 82 -11.685 -8.444 4.436 1.00 0.49 C ATOM 0 H PHE A 82 -7.110 -7.243 5.438 1.00 0.20 H new ATOM 0 HA PHE A 82 -8.671 -6.167 7.596 1.00 0.25 H new ATOM 0 HB2 PHE A 82 -7.636 -8.940 6.891 1.00 0.32 H new ATOM 0 HB3 PHE A 82 -8.771 -8.608 8.185 1.00 0.32 H new ATOM 0 HD1 PHE A 82 -11.059 -8.539 7.743 1.00 0.46 H new ATOM 0 HD2 PHE A 82 -8.334 -8.147 4.489 1.00 0.34 H new ATOM 0 HE1 PHE A 82 -12.932 -8.629 6.161 1.00 0.52 H new ATOM 0 HE2 PHE A 82 -10.208 -8.246 2.907 1.00 0.40 H new ATOM 0 HZ PHE A 82 -12.510 -8.486 3.740 1.00 0.49 H new ATOM 1195 N ASP A 83 -5.575 -6.951 8.144 1.00 0.23 N ATOM 1196 CA ASP A 83 -4.502 -6.816 9.126 1.00 0.25 C ATOM 1197 C ASP A 83 -4.043 -5.364 9.211 1.00 0.24 C ATOM 1198 O ASP A 83 -3.614 -4.889 10.261 1.00 0.38 O ATOM 1199 CB ASP A 83 -3.320 -7.713 8.759 1.00 0.29 C ATOM 1200 CG ASP A 83 -2.239 -7.710 9.821 1.00 0.34 C ATOM 1201 OD1 ASP A 83 -2.537 -8.067 10.979 1.00 0.48 O ATOM 1202 OD2 ASP A 83 -1.084 -7.366 9.502 1.00 0.47 O ATOM 0 H ASP A 83 -5.260 -7.194 7.205 1.00 0.23 H new ATOM 0 HA ASP A 83 -4.887 -7.125 10.098 1.00 0.25 H new ATOM 0 HB2 ASP A 83 -3.675 -8.733 8.609 1.00 0.29 H new ATOM 0 HB3 ASP A 83 -2.896 -7.380 7.812 1.00 0.29 H new ATOM 1207 N HIS A 84 -4.139 -4.666 8.089 1.00 0.14 N ATOM 1208 CA HIS A 84 -3.760 -3.263 7.999 1.00 0.12 C ATOM 1209 C HIS A 84 -4.881 -2.480 7.336 1.00 0.11 C ATOM 1210 O HIS A 84 -4.888 -2.298 6.122 1.00 0.14 O ATOM 1211 CB HIS A 84 -2.471 -3.111 7.193 1.00 0.14 C ATOM 1212 CG HIS A 84 -1.254 -3.612 7.906 1.00 0.19 C ATOM 1213 ND1 HIS A 84 -0.424 -2.804 8.654 1.00 0.22 N ATOM 1214 CD2 HIS A 84 -0.726 -4.853 7.976 1.00 0.25 C ATOM 1215 CE1 HIS A 84 0.561 -3.527 9.148 1.00 0.27 C ATOM 1216 NE2 HIS A 84 0.403 -4.776 8.753 1.00 0.29 N ATOM 0 H HIS A 84 -4.483 -5.058 7.212 1.00 0.14 H new ATOM 0 HA HIS A 84 -3.588 -2.875 9.003 1.00 0.12 H new ATOM 0 HB2 HIS A 84 -2.576 -3.649 6.251 1.00 0.14 H new ATOM 0 HB3 HIS A 84 -2.329 -2.059 6.946 1.00 0.14 H new ATOM 0 HD1 HIS A 84 -0.552 -1.803 8.802 1.00 0.22 H new ATOM 0 HD2 HIS A 84 -1.120 -5.743 7.507 1.00 0.25 H new ATOM 0 HE1 HIS A 84 1.363 -3.159 9.771 1.00 0.27 H new ATOM 1225 N PRO A 85 -5.839 -2.001 8.133 1.00 0.10 N ATOM 1226 CA PRO A 85 -7.109 -1.500 7.620 1.00 0.09 C ATOM 1227 C PRO A 85 -7.107 -0.041 7.177 1.00 0.08 C ATOM 1228 O PRO A 85 -8.161 0.491 6.846 1.00 0.09 O ATOM 1229 CB PRO A 85 -8.030 -1.685 8.820 1.00 0.12 C ATOM 1230 CG PRO A 85 -7.148 -1.437 9.997 1.00 0.14 C ATOM 1231 CD PRO A 85 -5.776 -1.927 9.606 1.00 0.13 C ATOM 0 HA PRO A 85 -7.396 -2.027 6.710 1.00 0.09 H new ATOM 0 HB2 PRO A 85 -8.865 -0.985 8.793 1.00 0.12 H new ATOM 0 HB3 PRO A 85 -8.456 -2.688 8.845 1.00 0.12 H new ATOM 0 HG2 PRO A 85 -7.125 -0.377 10.250 1.00 0.14 H new ATOM 0 HG3 PRO A 85 -7.514 -1.967 10.876 1.00 0.14 H new ATOM 0 HD2 PRO A 85 -4.996 -1.243 9.940 1.00 0.13 H new ATOM 0 HD3 PRO A 85 -5.557 -2.899 10.047 1.00 0.13 H new ATOM 1239 N THR A 86 -5.960 0.617 7.153 1.00 0.07 N ATOM 1240 CA THR A 86 -5.912 1.987 6.671 1.00 0.07 C ATOM 1241 C THR A 86 -4.796 2.148 5.643 1.00 0.07 C ATOM 1242 O THR A 86 -3.846 1.368 5.655 1.00 0.07 O ATOM 1243 CB THR A 86 -5.698 2.993 7.821 1.00 0.08 C ATOM 1244 OG1 THR A 86 -4.448 2.742 8.474 1.00 0.09 O ATOM 1245 CG2 THR A 86 -6.822 2.921 8.843 1.00 0.09 C ATOM 0 H THR A 86 -5.065 0.234 7.456 1.00 0.07 H new ATOM 0 HA THR A 86 -6.875 2.200 6.207 1.00 0.07 H new ATOM 0 HB THR A 86 -5.692 3.992 7.384 1.00 0.08 H new ATOM 0 HG1 THR A 86 -4.323 3.388 9.200 1.00 0.09 H new ATOM 0 HG21 THR A 86 -6.638 3.643 9.638 1.00 0.09 H new ATOM 0 HG22 THR A 86 -7.771 3.150 8.357 1.00 0.09 H new ATOM 0 HG23 THR A 86 -6.865 1.918 9.267 1.00 0.09 H new ATOM 1253 N PRO A 87 -4.893 3.124 4.715 1.00 0.08 N ATOM 1254 CA PRO A 87 -3.810 3.392 3.762 1.00 0.09 C ATOM 1255 C PRO A 87 -2.489 3.640 4.478 1.00 0.09 C ATOM 1256 O PRO A 87 -1.422 3.272 3.984 1.00 0.11 O ATOM 1257 CB PRO A 87 -4.278 4.632 3.000 1.00 0.09 C ATOM 1258 CG PRO A 87 -5.761 4.626 3.149 1.00 0.09 C ATOM 1259 CD PRO A 87 -6.053 4.003 4.489 1.00 0.08 C ATOM 0 HA PRO A 87 -3.621 2.548 3.099 1.00 0.09 H new ATOM 0 HB2 PRO A 87 -3.841 5.541 3.415 1.00 0.09 H new ATOM 0 HB3 PRO A 87 -3.985 4.587 1.951 1.00 0.09 H new ATOM 0 HG2 PRO A 87 -6.160 5.639 3.097 1.00 0.09 H new ATOM 0 HG3 PRO A 87 -6.229 4.057 2.346 1.00 0.09 H new ATOM 0 HD2 PRO A 87 -6.145 4.756 5.271 1.00 0.08 H new ATOM 0 HD3 PRO A 87 -6.987 3.441 4.476 1.00 0.08 H new ATOM 1267 N HIS A 88 -2.579 4.241 5.660 1.00 0.09 N ATOM 1268 CA HIS A 88 -1.429 4.399 6.539 1.00 0.09 C ATOM 1269 C HIS A 88 -0.917 3.025 6.960 1.00 0.08 C ATOM 1270 O HIS A 88 0.266 2.730 6.833 1.00 0.09 O ATOM 1271 CB HIS A 88 -1.830 5.228 7.765 1.00 0.12 C ATOM 1272 CG HIS A 88 -0.711 5.526 8.719 1.00 0.19 C ATOM 1273 ND1 HIS A 88 0.353 6.346 8.410 1.00 0.28 N ATOM 1274 CD2 HIS A 88 -0.508 5.115 9.991 1.00 0.23 C ATOM 1275 CE1 HIS A 88 1.163 6.422 9.451 1.00 0.33 C ATOM 1276 NE2 HIS A 88 0.663 5.684 10.424 1.00 0.30 N ATOM 0 H HIS A 88 -3.446 4.629 6.032 1.00 0.09 H new ATOM 0 HA HIS A 88 -0.630 4.922 6.013 1.00 0.09 H new ATOM 0 HB2 HIS A 88 -2.258 6.171 7.424 1.00 0.12 H new ATOM 0 HB3 HIS A 88 -2.615 4.697 8.303 1.00 0.12 H new ATOM 0 HD2 HIS A 88 -1.150 4.459 10.561 1.00 0.23 H new ATOM 0 HE1 HIS A 88 2.079 6.992 9.498 1.00 0.33 H new ATOM 0 HE2 HIS A 88 1.079 5.557 11.347 1.00 0.30 H new ATOM 1285 N ALA A 89 -1.831 2.188 7.438 1.00 0.09 N ATOM 1286 CA ALA A 89 -1.509 0.834 7.880 1.00 0.10 C ATOM 1287 C ALA A 89 -0.839 0.002 6.790 1.00 0.09 C ATOM 1288 O ALA A 89 0.246 -0.534 7.009 1.00 0.10 O ATOM 1289 CB ALA A 89 -2.762 0.129 8.354 1.00 0.12 C ATOM 0 H ALA A 89 -2.818 2.429 7.531 1.00 0.09 H new ATOM 0 HA ALA A 89 -0.798 0.932 8.701 1.00 0.10 H new ATOM 0 HB1 ALA A 89 -2.510 -0.880 8.681 1.00 0.12 H new ATOM 0 HB2 ALA A 89 -3.198 0.682 9.186 1.00 0.12 H new ATOM 0 HB3 ALA A 89 -3.481 0.076 7.537 1.00 0.12 H new ATOM 1295 N LEU A 90 -1.498 -0.149 5.641 1.00 0.10 N ATOM 1296 CA LEU A 90 -0.934 -0.911 4.525 1.00 0.11 C ATOM 1297 C LEU A 90 0.444 -0.406 4.187 1.00 0.11 C ATOM 1298 O LEU A 90 1.368 -1.184 3.938 1.00 0.12 O ATOM 1299 CB LEU A 90 -1.805 -0.779 3.284 1.00 0.13 C ATOM 1300 CG LEU A 90 -2.144 -2.085 2.571 1.00 0.25 C ATOM 1301 CD1 LEU A 90 -2.795 -3.066 3.527 1.00 0.73 C ATOM 1302 CD2 LEU A 90 -3.062 -1.813 1.395 1.00 0.68 C ATOM 0 H LEU A 90 -2.421 0.245 5.458 1.00 0.10 H new ATOM 0 HA LEU A 90 -0.887 -1.956 4.833 1.00 0.11 H new ATOM 0 HB2 LEU A 90 -2.736 -0.289 3.567 1.00 0.13 H new ATOM 0 HB3 LEU A 90 -1.300 -0.121 2.577 1.00 0.13 H new ATOM 0 HG LEU A 90 -1.218 -2.528 2.204 1.00 0.25 H new ATOM 0 HD11 LEU A 90 -3.028 -3.990 2.998 1.00 0.73 H new ATOM 0 HD12 LEU A 90 -2.112 -3.281 4.349 1.00 0.73 H new ATOM 0 HD13 LEU A 90 -3.714 -2.633 3.923 1.00 0.73 H new ATOM 0 HD21 LEU A 90 -3.298 -2.751 0.893 1.00 0.68 H new ATOM 0 HD22 LEU A 90 -3.983 -1.351 1.751 1.00 0.68 H new ATOM 0 HD23 LEU A 90 -2.566 -1.141 0.694 1.00 0.68 H new ATOM 1314 N THR A 91 0.564 0.907 4.181 1.00 0.11 N ATOM 1315 CA THR A 91 1.820 1.546 3.917 1.00 0.12 C ATOM 1316 C THR A 91 2.865 1.107 4.935 1.00 0.12 C ATOM 1317 O THR A 91 3.969 0.702 4.574 1.00 0.13 O ATOM 1318 CB THR A 91 1.665 3.080 3.948 1.00 0.12 C ATOM 1319 OG1 THR A 91 0.967 3.528 2.784 1.00 0.13 O ATOM 1320 CG2 THR A 91 3.009 3.779 4.060 1.00 0.13 C ATOM 0 H THR A 91 -0.207 1.550 4.359 1.00 0.11 H new ATOM 0 HA THR A 91 2.151 1.249 2.922 1.00 0.12 H new ATOM 0 HB THR A 91 1.086 3.338 4.835 1.00 0.12 H new ATOM 0 HG1 THR A 91 0.002 3.439 2.927 1.00 0.13 H new ATOM 0 HG21 THR A 91 2.857 4.858 4.079 1.00 0.13 H new ATOM 0 HG22 THR A 91 3.506 3.466 4.978 1.00 0.13 H new ATOM 0 HG23 THR A 91 3.629 3.515 3.203 1.00 0.13 H new ATOM 1328 N GLN A 92 2.485 1.168 6.206 1.00 0.11 N ATOM 1329 CA GLN A 92 3.347 0.753 7.303 1.00 0.12 C ATOM 1330 C GLN A 92 3.816 -0.685 7.111 1.00 0.13 C ATOM 1331 O GLN A 92 4.971 -1.015 7.368 1.00 0.16 O ATOM 1332 CB GLN A 92 2.595 0.897 8.627 1.00 0.12 C ATOM 1333 CG GLN A 92 2.279 2.336 8.990 1.00 0.16 C ATOM 1334 CD GLN A 92 2.058 2.528 10.474 1.00 0.47 C ATOM 1335 OE1 GLN A 92 2.993 2.826 11.217 1.00 1.42 O ATOM 1336 NE2 GLN A 92 0.826 2.354 10.918 1.00 1.06 N ATOM 0 H GLN A 92 1.570 1.507 6.504 1.00 0.11 H new ATOM 0 HA GLN A 92 4.229 1.394 7.319 1.00 0.12 H new ATOM 0 HB2 GLN A 92 1.665 0.332 8.571 1.00 0.12 H new ATOM 0 HB3 GLN A 92 3.190 0.452 9.424 1.00 0.12 H new ATOM 0 HG2 GLN A 92 3.097 2.977 8.663 1.00 0.16 H new ATOM 0 HG3 GLN A 92 1.388 2.656 8.450 1.00 0.16 H new ATOM 0 HE21 GLN A 92 0.080 2.107 10.268 1.00 1.06 H new ATOM 0 HE22 GLN A 92 0.621 2.466 11.911 1.00 1.06 H new ATOM 1345 N HIS A 93 2.910 -1.525 6.633 1.00 0.14 N ATOM 1346 CA HIS A 93 3.213 -2.922 6.346 1.00 0.17 C ATOM 1347 C HIS A 93 4.380 -3.044 5.370 1.00 0.19 C ATOM 1348 O HIS A 93 5.392 -3.658 5.684 1.00 0.21 O ATOM 1349 CB HIS A 93 1.954 -3.611 5.794 1.00 0.20 C ATOM 1350 CG HIS A 93 2.172 -4.974 5.199 1.00 0.27 C ATOM 1351 ND1 HIS A 93 2.491 -6.089 5.941 1.00 0.31 N ATOM 1352 CD2 HIS A 93 2.081 -5.394 3.914 1.00 0.36 C ATOM 1353 CE1 HIS A 93 2.585 -7.135 5.139 1.00 0.38 C ATOM 1354 NE2 HIS A 93 2.341 -6.742 3.902 1.00 0.41 N ATOM 0 H HIS A 93 1.946 -1.260 6.433 1.00 0.14 H new ATOM 0 HA HIS A 93 3.515 -3.417 7.269 1.00 0.17 H new ATOM 0 HB2 HIS A 93 1.225 -3.698 6.600 1.00 0.20 H new ATOM 0 HB3 HIS A 93 1.513 -2.968 5.033 1.00 0.20 H new ATOM 0 HD2 HIS A 93 1.847 -4.781 3.056 1.00 0.36 H new ATOM 0 HE1 HIS A 93 2.822 -8.143 5.444 1.00 0.38 H new ATOM 0 HE2 HIS A 93 2.345 -7.340 3.076 1.00 0.41 H new ATOM 1363 N LEU A 94 4.253 -2.432 4.204 1.00 0.18 N ATOM 1364 CA LEU A 94 5.264 -2.559 3.162 1.00 0.21 C ATOM 1365 C LEU A 94 6.503 -1.733 3.492 1.00 0.22 C ATOM 1366 O LEU A 94 7.605 -2.081 3.090 1.00 0.31 O ATOM 1367 CB LEU A 94 4.654 -2.119 1.834 1.00 0.19 C ATOM 1368 CG LEU A 94 3.367 -2.863 1.463 1.00 0.21 C ATOM 1369 CD1 LEU A 94 2.586 -2.120 0.401 1.00 0.21 C ATOM 1370 CD2 LEU A 94 3.684 -4.271 0.983 1.00 0.27 C ATOM 0 H LEU A 94 3.460 -1.842 3.953 1.00 0.18 H new ATOM 0 HA LEU A 94 5.583 -3.599 3.093 1.00 0.21 H new ATOM 0 HB2 LEU A 94 4.444 -1.050 1.879 1.00 0.19 H new ATOM 0 HB3 LEU A 94 5.388 -2.267 1.042 1.00 0.19 H new ATOM 0 HG LEU A 94 2.751 -2.922 2.360 1.00 0.21 H new ATOM 0 HD11 LEU A 94 1.679 -2.675 0.161 1.00 0.21 H new ATOM 0 HD12 LEU A 94 2.318 -1.130 0.772 1.00 0.21 H new ATOM 0 HD13 LEU A 94 3.197 -2.018 -0.496 1.00 0.21 H new ATOM 0 HD21 LEU A 94 2.758 -4.784 0.724 1.00 0.27 H new ATOM 0 HD22 LEU A 94 4.328 -4.220 0.105 1.00 0.27 H new ATOM 0 HD23 LEU A 94 4.193 -4.819 1.775 1.00 0.27 H new ATOM 1382 N HIS A 95 6.320 -0.687 4.288 1.00 0.18 N ATOM 1383 CA HIS A 95 7.418 0.206 4.668 1.00 0.20 C ATOM 1384 C HIS A 95 8.302 -0.488 5.689 1.00 0.26 C ATOM 1385 O HIS A 95 9.489 -0.200 5.810 1.00 0.39 O ATOM 1386 CB HIS A 95 6.848 1.508 5.256 1.00 0.20 C ATOM 1387 CG HIS A 95 7.875 2.505 5.712 1.00 0.25 C ATOM 1388 ND1 HIS A 95 8.268 2.613 7.025 1.00 0.37 N ATOM 1389 CD2 HIS A 95 8.559 3.466 5.037 1.00 0.26 C ATOM 1390 CE1 HIS A 95 9.142 3.590 7.145 1.00 0.43 C ATOM 1391 NE2 HIS A 95 9.339 4.129 5.955 1.00 0.36 N ATOM 0 H HIS A 95 5.417 -0.431 4.687 1.00 0.18 H new ATOM 0 HA HIS A 95 8.013 0.449 3.788 1.00 0.20 H new ATOM 0 HB2 HIS A 95 6.214 1.980 4.506 1.00 0.20 H new ATOM 0 HB3 HIS A 95 6.208 1.257 6.102 1.00 0.20 H new ATOM 0 HD2 HIS A 95 8.501 3.671 3.978 1.00 0.26 H new ATOM 0 HE1 HIS A 95 9.619 3.899 8.063 1.00 0.43 H new ATOM 0 HE2 HIS A 95 9.966 4.908 5.751 1.00 0.36 H new ATOM 1400 N THR A 96 7.705 -1.418 6.406 1.00 0.22 N ATOM 1401 CA THR A 96 8.398 -2.205 7.389 1.00 0.27 C ATOM 1402 C THR A 96 8.975 -3.454 6.727 1.00 0.32 C ATOM 1403 O THR A 96 10.110 -3.853 6.995 1.00 0.40 O ATOM 1404 CB THR A 96 7.407 -2.571 8.516 1.00 0.35 C ATOM 1405 OG1 THR A 96 7.526 -1.640 9.598 1.00 0.62 O ATOM 1406 CG2 THR A 96 7.594 -3.992 9.005 1.00 0.31 C ATOM 0 H THR A 96 6.715 -1.646 6.317 1.00 0.22 H new ATOM 0 HA THR A 96 9.226 -1.642 7.820 1.00 0.27 H new ATOM 0 HB THR A 96 6.400 -2.510 8.102 1.00 0.35 H new ATOM 0 HG1 THR A 96 6.893 -1.879 10.307 1.00 0.62 H new ATOM 0 HG21 THR A 96 6.875 -4.202 9.797 1.00 0.31 H new ATOM 0 HG22 THR A 96 7.436 -4.685 8.178 1.00 0.31 H new ATOM 0 HG23 THR A 96 8.606 -4.113 9.392 1.00 0.31 H new ATOM 1414 N ARG A 97 8.194 -4.037 5.827 1.00 0.34 N ATOM 1415 CA ARG A 97 8.577 -5.267 5.151 1.00 0.45 C ATOM 1416 C ARG A 97 9.661 -5.038 4.106 1.00 0.57 C ATOM 1417 O ARG A 97 10.227 -5.992 3.578 1.00 0.67 O ATOM 1418 CB ARG A 97 7.352 -5.905 4.512 1.00 0.58 C ATOM 1419 CG ARG A 97 6.364 -6.441 5.518 1.00 1.52 C ATOM 1420 CD ARG A 97 6.923 -7.620 6.280 1.00 2.27 C ATOM 1421 NE ARG A 97 7.146 -8.782 5.419 1.00 3.09 N ATOM 1422 CZ ARG A 97 7.462 -9.994 5.877 1.00 3.77 C ATOM 1423 NH1 ARG A 97 7.579 -10.206 7.181 1.00 3.78 N ATOM 1424 NH2 ARG A 97 7.668 -10.993 5.027 1.00 4.68 N ATOM 0 H ARG A 97 7.283 -3.673 5.547 1.00 0.34 H new ATOM 0 HA ARG A 97 8.993 -5.940 5.900 1.00 0.45 H new ATOM 0 HB2 ARG A 97 6.854 -5.168 3.882 1.00 0.58 H new ATOM 0 HB3 ARG A 97 7.673 -6.717 3.860 1.00 0.58 H new ATOM 0 HG2 ARG A 97 6.093 -5.651 6.218 1.00 1.52 H new ATOM 0 HG3 ARG A 97 5.449 -6.740 5.006 1.00 1.52 H new ATOM 0 HD2 ARG A 97 7.864 -7.333 6.750 1.00 2.27 H new ATOM 0 HD3 ARG A 97 6.236 -7.891 7.081 1.00 2.27 H new ATOM 0 HE ARG A 97 7.055 -8.658 4.411 1.00 3.09 H new ATOM 0 HH11 ARG A 97 7.427 -9.441 7.838 1.00 3.78 H new ATOM 0 HH12 ARG A 97 7.821 -11.135 7.527 1.00 3.78 H new ATOM 0 HH21 ARG A 97 7.585 -10.834 4.023 1.00 4.68 H new ATOM 0 HH22 ARG A 97 7.910 -11.920 5.378 1.00 4.68 H new ATOM 1438 N LEU A 98 9.898 -3.783 3.758 1.00 0.62 N ATOM 1439 CA LEU A 98 11.054 -3.432 2.934 1.00 0.78 C ATOM 1440 C LEU A 98 12.319 -4.096 3.455 1.00 0.92 C ATOM 1441 O LEU A 98 12.949 -4.896 2.765 1.00 1.19 O ATOM 1442 CB LEU A 98 11.268 -1.922 2.893 1.00 0.78 C ATOM 1443 CG LEU A 98 10.916 -1.240 1.568 1.00 0.68 C ATOM 1444 CD1 LEU A 98 10.796 -2.248 0.431 1.00 1.14 C ATOM 1445 CD2 LEU A 98 9.642 -0.452 1.703 1.00 1.00 C ATOM 0 H LEU A 98 9.313 -2.993 4.029 1.00 0.62 H new ATOM 0 HA LEU A 98 10.846 -3.791 1.926 1.00 0.78 H new ATOM 0 HB2 LEU A 98 10.673 -1.467 3.685 1.00 0.78 H new ATOM 0 HB3 LEU A 98 12.314 -1.715 3.121 1.00 0.78 H new ATOM 0 HG LEU A 98 11.730 -0.558 1.323 1.00 0.68 H new ATOM 0 HD11 LEU A 98 10.545 -1.726 -0.493 1.00 1.14 H new ATOM 0 HD12 LEU A 98 11.744 -2.771 0.307 1.00 1.14 H new ATOM 0 HD13 LEU A 98 10.012 -2.969 0.665 1.00 1.14 H new ATOM 0 HD21 LEU A 98 9.407 0.026 0.752 1.00 1.00 H new ATOM 0 HD22 LEU A 98 8.828 -1.121 1.984 1.00 1.00 H new ATOM 0 HD23 LEU A 98 9.766 0.311 2.472 1.00 1.00 H new ATOM 1457 N THR A 99 12.675 -3.761 4.678 1.00 0.85 N ATOM 1458 CA THR A 99 13.829 -4.353 5.323 1.00 1.08 C ATOM 1459 C THR A 99 13.479 -5.736 5.871 1.00 1.13 C ATOM 1460 O THR A 99 14.270 -6.678 5.771 1.00 1.66 O ATOM 1461 CB THR A 99 14.362 -3.430 6.445 1.00 1.19 C ATOM 1462 OG1 THR A 99 15.304 -4.128 7.269 1.00 1.61 O ATOM 1463 CG2 THR A 99 13.220 -2.880 7.291 1.00 1.07 C ATOM 0 H THR A 99 12.178 -3.077 5.249 1.00 0.85 H new ATOM 0 HA THR A 99 14.620 -4.469 4.582 1.00 1.08 H new ATOM 0 HB THR A 99 14.870 -2.589 5.973 1.00 1.19 H new ATOM 0 HG1 THR A 99 15.631 -3.528 7.972 1.00 1.61 H new ATOM 0 HG21 THR A 99 13.623 -2.235 8.072 1.00 1.07 H new ATOM 0 HG22 THR A 99 12.543 -2.305 6.659 1.00 1.07 H new ATOM 0 HG23 THR A 99 12.676 -3.706 7.749 1.00 1.07 H new ATOM 1471 N GLN A 100 12.279 -5.858 6.425 1.00 0.75 N ATOM 1472 CA GLN A 100 11.790 -7.128 6.936 1.00 0.85 C ATOM 1473 C GLN A 100 11.219 -7.981 5.816 1.00 1.01 C ATOM 1474 O GLN A 100 10.007 -8.090 5.664 1.00 1.19 O ATOM 1475 CB GLN A 100 10.725 -6.886 7.993 1.00 0.77 C ATOM 1476 CG GLN A 100 11.246 -6.181 9.228 1.00 0.81 C ATOM 1477 CD GLN A 100 12.088 -7.088 10.110 1.00 1.52 C ATOM 1478 OE1 GLN A 100 12.751 -8.009 9.629 1.00 2.10 O ATOM 1479 NE2 GLN A 100 12.062 -6.844 11.408 1.00 2.19 N ATOM 0 H GLN A 100 11.623 -5.084 6.531 1.00 0.75 H new ATOM 0 HA GLN A 100 12.629 -7.662 7.382 1.00 0.85 H new ATOM 0 HB2 GLN A 100 9.921 -6.292 7.558 1.00 0.77 H new ATOM 0 HB3 GLN A 100 10.292 -7.842 8.286 1.00 0.77 H new ATOM 0 HG2 GLN A 100 11.842 -5.320 8.926 1.00 0.81 H new ATOM 0 HG3 GLN A 100 10.404 -5.799 9.806 1.00 0.81 H new ATOM 0 HE21 GLN A 100 11.502 -6.073 11.771 1.00 2.19 H new ATOM 0 HE22 GLN A 100 12.602 -7.427 12.047 1.00 2.19 H new ATOM 1488 N SER A 101 12.095 -8.577 5.034 1.00 1.26 N ATOM 1489 CA SER A 101 11.679 -9.385 3.907 1.00 1.48 C ATOM 1490 C SER A 101 12.593 -10.597 3.785 1.00 1.84 C ATOM 1491 O SER A 101 13.324 -10.925 4.720 1.00 2.05 O ATOM 1492 CB SER A 101 11.709 -8.538 2.633 1.00 1.64 C ATOM 1493 OG SER A 101 11.137 -9.221 1.525 1.00 2.32 O ATOM 0 H SER A 101 13.105 -8.516 5.160 1.00 1.26 H new ATOM 0 HA SER A 101 10.660 -9.740 4.058 1.00 1.48 H new ATOM 0 HB2 SER A 101 11.168 -7.607 2.804 1.00 1.64 H new ATOM 0 HB3 SER A 101 12.740 -8.269 2.401 1.00 1.64 H new ATOM 0 HG SER A 101 11.174 -8.646 0.732 1.00 2.32 H new ATOM 1499 N HIS A 102 12.551 -11.254 2.644 1.00 2.10 N ATOM 1500 CA HIS A 102 13.372 -12.428 2.409 1.00 2.55 C ATOM 1501 C HIS A 102 13.822 -12.476 0.955 1.00 2.90 C ATOM 1502 O HIS A 102 13.322 -13.323 0.190 1.00 3.23 O ATOM 1503 CB HIS A 102 12.636 -13.722 2.821 1.00 2.94 C ATOM 1504 CG HIS A 102 11.264 -13.918 2.227 1.00 3.11 C ATOM 1505 ND1 HIS A 102 10.451 -13.078 1.540 1.00 3.76 N flip ATOM 1506 CD2 HIS A 102 10.572 -15.107 2.330 1.00 3.06 C flip ATOM 1507 CE1 HIS A 102 9.304 -13.769 1.246 1.00 4.18 C flip ATOM 1508 NE2 HIS A 102 9.402 -14.989 1.733 1.00 3.79 N flip ATOM 1509 OXT HIS A 102 14.672 -11.642 0.581 1.00 3.31 O ATOM 0 H HIS A 102 11.954 -10.994 1.859 1.00 2.10 H new ATOM 0 HA HIS A 102 14.261 -12.356 3.036 1.00 2.55 H new ATOM 0 HB2 HIS A 102 13.256 -14.574 2.542 1.00 2.94 H new ATOM 0 HB3 HIS A 102 12.546 -13.735 3.907 1.00 2.94 H new ATOM 0 HD2 HIS A 102 10.933 -15.997 2.824 1.00 3.06 H new ATOM 0 HE1 HIS A 102 8.457 -13.377 0.703 1.00 4.18 H new ATOM 0 HE2 HIS A 102 8.693 -15.719 1.661 1.00 3.79 H new TER 1518 HIS A 102