USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 628 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 42 SER OG : rot -142:sc= 1.1 USER MOD Set 1.2: A 44 THR OG1 : rot 178:sc= 1.02 USER MOD Set 2.1: A 31 SER OG : rot -107:sc= 0.879! USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= 0.0457 USER MOD Single : A 1 HIS : no HE2:sc= -0.113 K(o=-0.11,f=-3.2) USER MOD Single : A 1 HIS N :NH3+ -135:sc= -1.22! (180deg=-3.13!) USER MOD Single : A 2 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-4.5!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -1.33 X(o=-1.3,f=-0.96) USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= -0.115! (180deg=-1.87) USER MOD Single : A 16 ASN : amide:sc= -0.531! X(o=-0.53!,f=-0.14) USER MOD Single : A 21 ASN : amide:sc= -1.1 K(o=-1.1,f=-0.31) USER MOD Single : A 24 SER OG : rot 87:sc= 0.97 USER MOD Single : A 27 HIS : no HE2:sc= -3.4 K(o=-3.4,f=-5.7!) USER MOD Single : A 34 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.36) USER MOD Single : A 39 LYS NZ :NH3+ -146:sc= -4.06! (180deg=-4.96!) USER MOD Single : A 45 GLN : amide:sc= -1.07! K(o=-1.1!,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 147:sc= -0.864 (180deg=-2.14!) USER MOD Single : A 49 HIS : no HD1:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 50 SER OG : rot 52:sc= 0.397 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 57 LYS NZ :NH3+ -132:sc= 1.5 (180deg=0.456) USER MOD Single : A 70 GLN : amide:sc= -2.72! K(o=-2.7!,f=-0.17) USER MOD Single : A 71 ASN : amide:sc= -0.134 X(o=-0.13,f=-0.0029) USER MOD Single : A 74 GLN : amide:sc= -2.66! K(o=-2.7!,f=-0.8) USER MOD Single : A 75 TYR OH : rot -138:sc= 0.9 USER MOD Single : A 80 ASN : amide:sc= -1.03 K(o=-1,f=-0.46) USER MOD Single : A 81 ASN : amide:sc= -2.95! K(o=-2.9!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 5.934 1.620 -13.857 1.00 12.72 N ATOM 2 CA HIS A 1 7.054 0.748 -13.421 1.00 13.01 C ATOM 3 C HIS A 1 8.186 0.672 -14.459 1.00 12.65 C ATOM 4 O HIS A 1 9.319 0.978 -14.145 1.00 13.01 O ATOM 5 CB HIS A 1 6.536 -0.671 -13.154 1.00 13.86 C ATOM 6 CG HIS A 1 7.633 -1.655 -12.750 1.00 14.47 C ATOM 7 ND1 HIS A 1 8.175 -1.631 -11.560 1.00 14.78 N ATOM 8 CD2 HIS A 1 8.253 -2.661 -13.447 1.00 15.11 C ATOM 9 CE1 HIS A 1 9.095 -2.574 -11.504 1.00 15.59 C ATOM 10 NE2 HIS A 1 9.135 -3.196 -12.656 1.00 15.78 N ATOM 0 H1 HIS A 1 5.647 2.236 -13.070 1.00 12.72 H new ATOM 0 H2 HIS A 1 6.242 2.205 -14.660 1.00 12.72 H new ATOM 0 H3 HIS A 1 5.128 1.031 -14.147 1.00 12.72 H new ATOM 0 HA HIS A 1 7.461 1.191 -12.512 1.00 13.01 H new ATOM 0 HB2 HIS A 1 5.785 -0.632 -12.365 1.00 13.86 H new ATOM 0 HB3 HIS A 1 6.038 -1.042 -14.050 1.00 13.86 H new ATOM 0 HD1 HIS A 1 7.928 -0.992 -10.804 1.00 14.78 H new ATOM 0 HD2 HIS A 1 8.046 -2.954 -14.466 1.00 15.11 H new ATOM 0 HE1 HIS A 1 9.714 -2.797 -10.648 1.00 15.59 H new ATOM 20 N HIS A 2 7.883 0.273 -15.668 1.00 12.32 N ATOM 21 CA HIS A 2 8.984 0.159 -16.680 1.00 12.47 C ATOM 22 C HIS A 2 8.590 0.783 -18.014 1.00 12.31 C ATOM 23 O HIS A 2 8.934 0.271 -19.060 1.00 13.10 O ATOM 24 CB HIS A 2 9.324 -1.332 -16.874 1.00 13.05 C ATOM 25 CG HIS A 2 8.272 -2.149 -17.639 1.00 13.57 C ATOM 26 ND1 HIS A 2 6.990 -2.041 -17.403 1.00 13.76 N ATOM 27 CD2 HIS A 2 8.401 -3.106 -18.615 1.00 14.32 C ATOM 28 CE1 HIS A 2 6.345 -2.880 -18.177 1.00 14.65 C ATOM 29 NE2 HIS A 2 7.209 -3.526 -18.913 1.00 14.94 N ATOM 0 H HIS A 2 6.949 0.027 -15.995 1.00 12.32 H new ATOM 0 HA HIS A 2 9.854 0.702 -16.312 1.00 12.47 H new ATOM 0 HB2 HIS A 2 10.274 -1.406 -17.404 1.00 13.05 H new ATOM 0 HB3 HIS A 2 9.470 -1.785 -15.894 1.00 13.05 H new ATOM 0 HD1 HIS A 2 6.562 -1.408 -16.727 1.00 13.76 H new ATOM 0 HD2 HIS A 2 9.326 -3.448 -19.055 1.00 14.32 H new ATOM 0 HE1 HIS A 2 5.274 -3.015 -18.202 1.00 14.65 H new ATOM 37 N SER A 3 7.912 1.902 -17.943 1.00 11.62 N ATOM 38 CA SER A 3 7.460 2.599 -19.189 1.00 11.78 C ATOM 39 C SER A 3 6.995 1.562 -20.218 1.00 11.97 C ATOM 40 O SER A 3 7.262 1.668 -21.404 1.00 12.42 O ATOM 41 CB SER A 3 8.633 3.406 -19.752 1.00 11.89 C ATOM 42 OG SER A 3 9.053 4.221 -18.660 1.00 11.89 O ATOM 0 H SER A 3 7.651 2.365 -17.073 1.00 11.62 H new ATOM 0 HA SER A 3 6.629 3.267 -18.964 1.00 11.78 H new ATOM 0 HB2 SER A 3 9.437 2.754 -20.095 1.00 11.89 H new ATOM 0 HB3 SER A 3 8.327 4.011 -20.606 1.00 11.89 H new ATOM 0 HG SER A 3 9.812 4.775 -18.938 1.00 11.89 H new ATOM 48 N GLY A 4 6.309 0.573 -19.698 1.00 12.00 N ATOM 49 CA GLY A 4 5.786 -0.529 -20.554 1.00 12.55 C ATOM 50 C GLY A 4 4.281 -0.701 -20.356 1.00 12.09 C ATOM 51 O GLY A 4 3.583 -1.055 -21.284 1.00 12.51 O ATOM 0 H GLY A 4 6.089 0.485 -18.706 1.00 12.00 H new ATOM 0 HA2 GLY A 4 5.997 -0.314 -21.601 1.00 12.55 H new ATOM 0 HA3 GLY A 4 6.298 -1.460 -20.310 1.00 12.55 H new ATOM 55 N GLU A 5 3.807 -0.450 -19.155 1.00 11.60 N ATOM 56 CA GLU A 5 2.338 -0.606 -18.880 1.00 11.44 C ATOM 57 C GLU A 5 1.542 0.544 -19.524 1.00 10.43 C ATOM 58 O GLU A 5 0.988 1.399 -18.842 1.00 10.45 O ATOM 59 CB GLU A 5 2.072 -0.610 -17.360 1.00 11.83 C ATOM 60 CG GLU A 5 3.254 -1.221 -16.591 1.00 12.23 C ATOM 61 CD GLU A 5 4.192 -0.096 -16.127 1.00 11.52 C ATOM 62 OE1 GLU A 5 3.783 0.614 -15.228 1.00 11.33 O ATOM 63 OE2 GLU A 5 5.256 0.023 -16.716 1.00 11.54 O ATOM 0 H GLU A 5 4.368 -0.146 -18.359 1.00 11.60 H new ATOM 0 HA GLU A 5 2.016 -1.555 -19.309 1.00 11.44 H new ATOM 0 HB2 GLU A 5 1.899 0.410 -17.016 1.00 11.83 H new ATOM 0 HB3 GLU A 5 1.165 -1.176 -17.148 1.00 11.83 H new ATOM 0 HG2 GLU A 5 2.891 -1.786 -15.732 1.00 12.23 H new ATOM 0 HG3 GLU A 5 3.794 -1.921 -17.228 1.00 12.23 H new ATOM 70 N HIS A 6 1.526 0.541 -20.832 1.00 9.98 N ATOM 71 CA HIS A 6 0.794 1.586 -21.609 1.00 9.29 C ATOM 72 C HIS A 6 1.479 2.949 -21.433 1.00 7.63 C ATOM 73 O HIS A 6 2.160 3.405 -22.327 1.00 7.57 O ATOM 74 CB HIS A 6 -0.679 1.633 -21.150 1.00 9.76 C ATOM 75 CG HIS A 6 -1.560 2.584 -21.962 1.00 10.27 C ATOM 76 ND1 HIS A 6 -2.849 2.647 -21.758 1.00 11.29 N ATOM 77 CD2 HIS A 6 -1.274 3.512 -22.934 1.00 10.44 C ATOM 78 CE1 HIS A 6 -3.355 3.565 -22.549 1.00 12.04 C ATOM 79 NE2 HIS A 6 -2.390 4.087 -23.263 1.00 11.55 N ATOM 0 H HIS A 6 2.000 -0.157 -21.406 1.00 9.98 H new ATOM 0 HA HIS A 6 0.815 1.337 -22.670 1.00 9.29 H new ATOM 0 HB2 HIS A 6 -1.098 0.629 -21.209 1.00 9.76 H new ATOM 0 HB3 HIS A 6 -0.712 1.931 -20.102 1.00 9.76 H new ATOM 0 HD2 HIS A 6 -0.299 3.724 -23.348 1.00 10.44 H new ATOM 0 HE1 HIS A 6 -4.397 3.844 -22.602 1.00 12.04 H new ATOM 0 HE2 HIS A 6 -2.497 4.823 -23.961 1.00 11.55 H new ATOM 87 N PHE A 7 1.303 3.571 -20.299 1.00 6.82 N ATOM 88 CA PHE A 7 1.949 4.902 -20.070 1.00 5.70 C ATOM 89 C PHE A 7 2.465 4.952 -18.633 1.00 4.85 C ATOM 90 O PHE A 7 1.894 4.312 -17.766 1.00 5.37 O ATOM 91 CB PHE A 7 0.916 6.026 -20.306 1.00 5.95 C ATOM 92 CG PHE A 7 -0.276 5.888 -19.337 1.00 6.72 C ATOM 93 CD1 PHE A 7 -1.162 4.829 -19.442 1.00 7.72 C ATOM 94 CD2 PHE A 7 -0.469 6.814 -18.329 1.00 7.12 C ATOM 95 CE1 PHE A 7 -2.211 4.692 -18.554 1.00 9.02 C ATOM 96 CE2 PHE A 7 -1.520 6.680 -17.443 1.00 8.48 C ATOM 97 CZ PHE A 7 -2.389 5.618 -17.549 1.00 9.39 C ATOM 0 H PHE A 7 0.743 3.220 -19.522 1.00 6.82 H new ATOM 0 HA PHE A 7 2.780 5.042 -20.762 1.00 5.70 H new ATOM 0 HB2 PHE A 7 1.391 6.997 -20.169 1.00 5.95 H new ATOM 0 HB3 PHE A 7 0.560 5.988 -21.335 1.00 5.95 H new ATOM 0 HD1 PHE A 7 -1.031 4.101 -20.229 1.00 7.72 H new ATOM 0 HD2 PHE A 7 0.208 7.650 -18.233 1.00 7.12 H new ATOM 0 HE1 PHE A 7 -2.892 3.859 -18.647 1.00 9.02 H new ATOM 0 HE2 PHE A 7 -1.661 7.413 -16.662 1.00 8.48 H new ATOM 0 HZ PHE A 7 -3.205 5.511 -16.849 1.00 9.39 H new ATOM 107 N GLU A 8 3.482 5.735 -18.369 1.00 4.28 N ATOM 108 CA GLU A 8 3.994 5.786 -16.963 1.00 4.28 C ATOM 109 C GLU A 8 3.262 6.903 -16.218 1.00 3.81 C ATOM 110 O GLU A 8 3.851 7.802 -15.635 1.00 4.79 O ATOM 111 CB GLU A 8 5.515 6.034 -16.952 1.00 5.12 C ATOM 112 CG GLU A 8 6.127 5.563 -15.613 1.00 5.94 C ATOM 113 CD GLU A 8 5.945 4.051 -15.444 1.00 6.29 C ATOM 114 OE1 GLU A 8 4.886 3.670 -14.957 1.00 6.22 O ATOM 115 OE2 GLU A 8 6.865 3.338 -15.820 1.00 7.17 O ATOM 0 H GLU A 8 3.969 6.325 -19.044 1.00 4.28 H new ATOM 0 HA GLU A 8 3.809 4.832 -16.468 1.00 4.28 H new ATOM 0 HB2 GLU A 8 5.983 5.502 -17.780 1.00 5.12 H new ATOM 0 HB3 GLU A 8 5.718 7.095 -17.099 1.00 5.12 H new ATOM 0 HG2 GLU A 8 7.187 5.814 -15.583 1.00 5.94 H new ATOM 0 HG3 GLU A 8 5.652 6.088 -14.784 1.00 5.94 H new ATOM 122 N GLY A 9 1.960 6.817 -16.283 1.00 3.00 N ATOM 123 CA GLY A 9 1.098 7.828 -15.599 1.00 2.80 C ATOM 124 C GLY A 9 0.141 7.107 -14.657 1.00 2.55 C ATOM 125 O GLY A 9 0.285 5.925 -14.445 1.00 3.05 O ATOM 0 H GLY A 9 1.453 6.087 -16.783 1.00 3.00 H new ATOM 0 HA2 GLY A 9 1.715 8.534 -15.042 1.00 2.80 H new ATOM 0 HA3 GLY A 9 0.538 8.405 -16.335 1.00 2.80 H new ATOM 129 N GLU A 10 -0.775 7.856 -14.106 1.00 2.73 N ATOM 130 CA GLU A 10 -1.796 7.307 -13.144 1.00 2.82 C ATOM 131 C GLU A 10 -1.951 5.772 -13.163 1.00 2.48 C ATOM 132 O GLU A 10 -2.500 5.202 -14.094 1.00 2.73 O ATOM 133 CB GLU A 10 -3.154 7.945 -13.452 1.00 3.50 C ATOM 134 CG GLU A 10 -3.091 9.470 -13.242 1.00 4.52 C ATOM 135 CD GLU A 10 -4.380 9.932 -12.546 1.00 5.01 C ATOM 136 OE1 GLU A 10 -4.434 9.751 -11.342 1.00 5.44 O ATOM 137 OE2 GLU A 10 -5.272 10.372 -13.248 1.00 5.56 O ATOM 0 H GLU A 10 -0.867 8.856 -14.283 1.00 2.73 H new ATOM 0 HA GLU A 10 -1.434 7.557 -12.147 1.00 2.82 H new ATOM 0 HB2 GLU A 10 -3.442 7.725 -14.480 1.00 3.50 H new ATOM 0 HB3 GLU A 10 -3.920 7.514 -12.807 1.00 3.50 H new ATOM 0 HG2 GLU A 10 -2.222 9.731 -12.638 1.00 4.52 H new ATOM 0 HG3 GLU A 10 -2.977 9.978 -14.200 1.00 4.52 H new ATOM 144 N LYS A 11 -1.500 5.145 -12.105 1.00 2.11 N ATOM 145 CA LYS A 11 -1.610 3.652 -12.001 1.00 1.91 C ATOM 146 C LYS A 11 -2.499 3.332 -10.806 1.00 1.58 C ATOM 147 O LYS A 11 -2.728 4.192 -9.968 1.00 1.57 O ATOM 148 CB LYS A 11 -0.241 2.999 -11.727 1.00 2.00 C ATOM 149 CG LYS A 11 0.842 3.574 -12.630 1.00 2.56 C ATOM 150 CD LYS A 11 0.828 2.857 -13.982 1.00 2.68 C ATOM 151 CE LYS A 11 1.767 3.591 -14.937 1.00 3.17 C ATOM 152 NZ LYS A 11 2.419 2.642 -15.871 1.00 3.77 N ATOM 0 H LYS A 11 -1.059 5.601 -11.306 1.00 2.11 H new ATOM 0 HA LYS A 11 -2.008 3.272 -12.942 1.00 1.91 H new ATOM 0 HB2 LYS A 11 0.034 3.153 -10.684 1.00 2.00 H new ATOM 0 HB3 LYS A 11 -0.312 1.923 -11.883 1.00 2.00 H new ATOM 0 HG2 LYS A 11 0.679 4.642 -12.773 1.00 2.56 H new ATOM 0 HG3 LYS A 11 1.818 3.461 -12.159 1.00 2.56 H new ATOM 0 HD2 LYS A 11 1.145 1.821 -13.863 1.00 2.68 H new ATOM 0 HD3 LYS A 11 -0.183 2.837 -14.388 1.00 2.68 H new ATOM 0 HE2 LYS A 11 1.208 4.337 -15.502 1.00 3.17 H new ATOM 0 HE3 LYS A 11 2.526 4.126 -14.367 1.00 3.17 H new ATOM 0 HZ1 LYS A 11 2.604 3.118 -16.777 1.00 3.77 H new ATOM 0 HZ2 LYS A 11 3.318 2.315 -15.462 1.00 3.77 H new ATOM 0 HZ3 LYS A 11 1.794 1.826 -16.030 1.00 3.77 H new ATOM 166 N VAL A 12 -2.952 2.115 -10.739 1.00 1.49 N ATOM 167 CA VAL A 12 -3.810 1.705 -9.590 1.00 1.27 C ATOM 168 C VAL A 12 -2.908 0.905 -8.665 1.00 1.51 C ATOM 169 O VAL A 12 -2.069 1.490 -8.007 1.00 3.31 O ATOM 170 CB VAL A 12 -5.004 0.895 -10.130 1.00 1.37 C ATOM 171 CG1 VAL A 12 -5.973 0.560 -8.987 1.00 2.10 C ATOM 172 CG2 VAL A 12 -5.751 1.757 -11.157 1.00 2.12 C ATOM 0 H VAL A 12 -2.768 1.385 -11.427 1.00 1.49 H new ATOM 0 HA VAL A 12 -4.235 2.543 -9.038 1.00 1.27 H new ATOM 0 HB VAL A 12 -4.640 -0.028 -10.582 1.00 1.37 H new ATOM 0 HG11 VAL A 12 -6.814 -0.013 -9.379 1.00 2.10 H new ATOM 0 HG12 VAL A 12 -5.454 -0.029 -8.231 1.00 2.10 H new ATOM 0 HG13 VAL A 12 -6.340 1.483 -8.539 1.00 2.10 H new ATOM 0 HG21 VAL A 12 -6.601 1.199 -11.551 1.00 2.12 H new ATOM 0 HG22 VAL A 12 -6.106 2.669 -10.677 1.00 2.12 H new ATOM 0 HG23 VAL A 12 -5.077 2.016 -11.974 1.00 2.12 H new ATOM 182 N PHE A 13 -3.113 -0.377 -8.670 1.00 1.15 N ATOM 183 CA PHE A 13 -2.299 -1.365 -7.859 1.00 1.04 C ATOM 184 C PHE A 13 -3.095 -1.942 -6.686 1.00 0.85 C ATOM 185 O PHE A 13 -3.892 -1.264 -6.046 1.00 0.90 O ATOM 186 CB PHE A 13 -1.014 -0.755 -7.249 1.00 1.30 C ATOM 187 CG PHE A 13 -0.035 -0.189 -8.300 1.00 0.98 C ATOM 188 CD1 PHE A 13 -0.148 -0.463 -9.654 1.00 2.35 C ATOM 189 CD2 PHE A 13 1.008 0.608 -7.871 1.00 1.57 C ATOM 190 CE1 PHE A 13 0.777 0.057 -10.549 1.00 2.61 C ATOM 191 CE2 PHE A 13 1.919 1.124 -8.759 1.00 1.54 C ATOM 192 CZ PHE A 13 1.811 0.851 -10.096 1.00 1.46 C ATOM 0 H PHE A 13 -3.845 -0.817 -9.227 1.00 1.15 H new ATOM 0 HA PHE A 13 -2.037 -2.138 -8.581 1.00 1.04 H new ATOM 0 HB2 PHE A 13 -1.293 0.042 -6.559 1.00 1.30 H new ATOM 0 HB3 PHE A 13 -0.503 -1.519 -6.664 1.00 1.30 H new ATOM 0 HD1 PHE A 13 -0.957 -1.082 -10.013 1.00 2.35 H new ATOM 0 HD2 PHE A 13 1.109 0.829 -6.819 1.00 1.57 H new ATOM 0 HE1 PHE A 13 0.687 -0.160 -11.603 1.00 2.61 H new ATOM 0 HE2 PHE A 13 2.724 1.748 -8.401 1.00 1.54 H new ATOM 0 HZ PHE A 13 2.531 1.255 -10.793 1.00 1.46 H new ATOM 202 N ARG A 14 -2.796 -3.190 -6.398 1.00 0.83 N ATOM 203 CA ARG A 14 -3.455 -3.905 -5.274 1.00 0.88 C ATOM 204 C ARG A 14 -2.393 -4.402 -4.285 1.00 0.84 C ATOM 205 O ARG A 14 -1.234 -4.584 -4.641 1.00 1.07 O ATOM 206 CB ARG A 14 -4.219 -5.109 -5.826 1.00 1.09 C ATOM 207 CG ARG A 14 -5.539 -4.644 -6.450 1.00 1.73 C ATOM 208 CD ARG A 14 -6.292 -5.859 -6.993 1.00 1.77 C ATOM 209 NE ARG A 14 -5.517 -6.423 -8.137 1.00 2.53 N ATOM 210 CZ ARG A 14 -5.256 -5.668 -9.165 1.00 3.89 C ATOM 211 NH1 ARG A 14 -6.200 -5.435 -10.005 1.00 4.98 N ATOM 212 NH2 ARG A 14 -4.079 -5.149 -9.304 1.00 4.91 N ATOM 0 H ARG A 14 -2.110 -3.746 -6.909 1.00 0.83 H new ATOM 0 HA ARG A 14 -4.140 -3.226 -4.765 1.00 0.88 H new ATOM 0 HB2 ARG A 14 -3.614 -5.624 -6.573 1.00 1.09 H new ATOM 0 HB3 ARG A 14 -4.416 -5.824 -5.027 1.00 1.09 H new ATOM 0 HG2 ARG A 14 -6.145 -4.128 -5.706 1.00 1.73 H new ATOM 0 HG3 ARG A 14 -5.345 -3.932 -7.253 1.00 1.73 H new ATOM 0 HD2 ARG A 14 -6.414 -6.609 -6.212 1.00 1.77 H new ATOM 0 HD3 ARG A 14 -7.292 -5.571 -7.318 1.00 1.77 H new ATOM 0 HE ARG A 14 -5.195 -7.391 -8.114 1.00 2.53 H new ATOM 0 HH11 ARG A 14 -7.125 -5.838 -9.857 1.00 4.98 H new ATOM 0 HH12 ARG A 14 -6.024 -4.847 -10.820 1.00 4.98 H new ATOM 0 HH21 ARG A 14 -3.356 -5.331 -8.608 1.00 4.91 H new ATOM 0 HH22 ARG A 14 -3.874 -4.557 -10.109 1.00 4.91 H new ATOM 226 N VAL A 15 -2.806 -4.600 -3.068 1.00 0.98 N ATOM 227 CA VAL A 15 -1.863 -5.100 -2.024 1.00 0.97 C ATOM 228 C VAL A 15 -2.557 -6.195 -1.201 1.00 0.94 C ATOM 229 O VAL A 15 -3.310 -5.917 -0.271 1.00 1.19 O ATOM 230 CB VAL A 15 -1.440 -3.927 -1.115 1.00 1.02 C ATOM 231 CG1 VAL A 15 -0.217 -4.319 -0.279 1.00 1.24 C ATOM 232 CG2 VAL A 15 -1.092 -2.705 -1.967 1.00 1.28 C ATOM 0 H VAL A 15 -3.760 -4.437 -2.746 1.00 0.98 H new ATOM 0 HA VAL A 15 -0.973 -5.520 -2.492 1.00 0.97 H new ATOM 0 HB VAL A 15 -2.271 -3.687 -0.451 1.00 1.02 H new ATOM 0 HG11 VAL A 15 0.071 -3.483 0.358 1.00 1.24 H new ATOM 0 HG12 VAL A 15 -0.462 -5.181 0.342 1.00 1.24 H new ATOM 0 HG13 VAL A 15 0.611 -4.573 -0.942 1.00 1.24 H new ATOM 0 HG21 VAL A 15 -0.795 -1.882 -1.318 1.00 1.28 H new ATOM 0 HG22 VAL A 15 -0.270 -2.952 -2.639 1.00 1.28 H new ATOM 0 HG23 VAL A 15 -1.963 -2.409 -2.552 1.00 1.28 H new ATOM 242 N ASN A 16 -2.297 -7.423 -1.544 1.00 1.31 N ATOM 243 CA ASN A 16 -2.934 -8.544 -0.785 1.00 1.30 C ATOM 244 C ASN A 16 -2.271 -8.738 0.592 1.00 1.34 C ATOM 245 O ASN A 16 -1.563 -9.695 0.791 1.00 2.47 O ATOM 246 CB ASN A 16 -2.817 -9.840 -1.604 1.00 1.52 C ATOM 247 CG ASN A 16 -4.019 -9.966 -2.544 1.00 2.15 C ATOM 248 OD1 ASN A 16 -4.897 -10.773 -2.331 1.00 2.66 O ATOM 249 ND2 ASN A 16 -4.119 -9.188 -3.572 1.00 3.29 N ATOM 0 H ASN A 16 -1.680 -7.702 -2.306 1.00 1.31 H new ATOM 0 HA ASN A 16 -3.983 -8.297 -0.621 1.00 1.30 H new ATOM 0 HB2 ASN A 16 -1.892 -9.835 -2.180 1.00 1.52 H new ATOM 0 HB3 ASN A 16 -2.773 -10.701 -0.937 1.00 1.52 H new ATOM 0 HD21 ASN A 16 -4.928 -9.259 -4.189 1.00 3.29 H new ATOM 0 HD22 ASN A 16 -3.389 -8.503 -3.766 1.00 3.29 H new ATOM 256 N VAL A 17 -2.463 -7.788 1.484 1.00 0.84 N ATOM 257 CA VAL A 17 -1.878 -7.905 2.878 1.00 0.82 C ATOM 258 C VAL A 17 -1.967 -9.372 3.339 1.00 0.88 C ATOM 259 O VAL A 17 -3.059 -9.910 3.473 1.00 1.07 O ATOM 260 CB VAL A 17 -2.682 -6.995 3.836 1.00 0.81 C ATOM 261 CG1 VAL A 17 -1.972 -6.869 5.192 1.00 1.28 C ATOM 262 CG2 VAL A 17 -2.810 -5.586 3.230 1.00 1.45 C ATOM 0 H VAL A 17 -2.997 -6.936 1.313 1.00 0.84 H new ATOM 0 HA VAL A 17 -0.833 -7.594 2.879 1.00 0.82 H new ATOM 0 HB VAL A 17 -3.666 -7.443 3.978 1.00 0.81 H new ATOM 0 HG11 VAL A 17 -2.555 -6.225 5.850 1.00 1.28 H new ATOM 0 HG12 VAL A 17 -1.874 -7.856 5.644 1.00 1.28 H new ATOM 0 HG13 VAL A 17 -0.982 -6.437 5.046 1.00 1.28 H new ATOM 0 HG21 VAL A 17 -3.377 -4.948 3.908 1.00 1.45 H new ATOM 0 HG22 VAL A 17 -1.817 -5.163 3.080 1.00 1.45 H new ATOM 0 HG23 VAL A 17 -3.327 -5.647 2.272 1.00 1.45 H new ATOM 272 N GLU A 18 -0.833 -9.943 3.658 1.00 0.86 N ATOM 273 CA GLU A 18 -0.796 -11.374 4.072 1.00 0.98 C ATOM 274 C GLU A 18 -0.801 -11.497 5.591 1.00 0.90 C ATOM 275 O GLU A 18 -1.738 -12.042 6.158 1.00 1.02 O ATOM 276 CB GLU A 18 0.499 -11.999 3.519 1.00 1.21 C ATOM 277 CG GLU A 18 0.322 -13.504 3.255 1.00 2.01 C ATOM 278 CD GLU A 18 -0.537 -13.716 2.008 1.00 2.26 C ATOM 279 OE1 GLU A 18 -1.747 -13.671 2.155 1.00 2.87 O ATOM 280 OE2 GLU A 18 0.072 -13.897 0.966 1.00 2.98 O ATOM 0 H GLU A 18 0.073 -9.474 3.649 1.00 0.86 H new ATOM 0 HA GLU A 18 -1.675 -11.887 3.682 1.00 0.98 H new ATOM 0 HB2 GLU A 18 0.783 -11.496 2.595 1.00 1.21 H new ATOM 0 HB3 GLU A 18 1.312 -11.845 4.228 1.00 1.21 H new ATOM 0 HG2 GLU A 18 1.296 -13.976 3.121 1.00 2.01 H new ATOM 0 HG3 GLU A 18 -0.147 -13.980 4.116 1.00 2.01 H new ATOM 287 N ASP A 19 0.199 -10.932 6.223 1.00 0.91 N ATOM 288 CA ASP A 19 0.246 -11.044 7.723 1.00 1.05 C ATOM 289 C ASP A 19 0.258 -9.653 8.335 1.00 0.92 C ATOM 290 O ASP A 19 -0.192 -8.705 7.723 1.00 0.94 O ATOM 291 CB ASP A 19 1.481 -11.861 8.193 1.00 1.29 C ATOM 292 CG ASP A 19 2.768 -11.037 8.094 1.00 1.89 C ATOM 293 OD1 ASP A 19 3.039 -10.570 7.005 1.00 2.91 O ATOM 294 OD2 ASP A 19 3.399 -10.905 9.131 1.00 2.56 O ATOM 0 H ASP A 19 0.963 -10.414 5.788 1.00 0.91 H new ATOM 0 HA ASP A 19 -0.643 -11.578 8.059 1.00 1.05 H new ATOM 0 HB2 ASP A 19 1.334 -12.186 9.223 1.00 1.29 H new ATOM 0 HB3 ASP A 19 1.576 -12.761 7.586 1.00 1.29 H new ATOM 299 N GLU A 20 0.790 -9.542 9.515 1.00 1.00 N ATOM 300 CA GLU A 20 0.802 -8.208 10.166 1.00 0.96 C ATOM 301 C GLU A 20 1.982 -7.405 9.604 1.00 0.86 C ATOM 302 O GLU A 20 1.961 -6.187 9.604 1.00 0.84 O ATOM 303 CB GLU A 20 0.914 -8.419 11.681 1.00 1.10 C ATOM 304 CG GLU A 20 0.364 -7.196 12.431 1.00 1.51 C ATOM 305 CD GLU A 20 -1.179 -7.140 12.398 1.00 2.23 C ATOM 306 OE1 GLU A 20 -1.795 -7.716 13.279 1.00 3.02 O ATOM 307 OE2 GLU A 20 -1.676 -6.473 11.515 1.00 3.42 O ATOM 0 H GLU A 20 1.210 -10.302 10.050 1.00 1.00 H new ATOM 0 HA GLU A 20 -0.111 -7.647 9.966 1.00 0.96 H new ATOM 0 HB2 GLU A 20 0.361 -9.312 11.973 1.00 1.10 H new ATOM 0 HB3 GLU A 20 1.956 -8.585 11.956 1.00 1.10 H new ATOM 0 HG2 GLU A 20 0.703 -7.224 13.466 1.00 1.51 H new ATOM 0 HG3 GLU A 20 0.769 -6.287 11.987 1.00 1.51 H new ATOM 314 N ASN A 21 2.988 -8.105 9.133 1.00 0.91 N ATOM 315 CA ASN A 21 4.179 -7.411 8.539 1.00 0.89 C ATOM 316 C ASN A 21 3.673 -6.503 7.421 1.00 0.81 C ATOM 317 O ASN A 21 3.972 -5.328 7.375 1.00 0.83 O ATOM 318 CB ASN A 21 5.155 -8.442 7.948 1.00 0.98 C ATOM 319 CG ASN A 21 6.484 -7.759 7.597 1.00 1.35 C ATOM 320 OD1 ASN A 21 7.441 -7.820 8.342 1.00 1.92 O ATOM 321 ND2 ASN A 21 6.584 -7.087 6.488 1.00 1.91 N ATOM 0 H ASN A 21 3.037 -9.124 9.134 1.00 0.91 H new ATOM 0 HA ASN A 21 4.701 -6.839 9.306 1.00 0.89 H new ATOM 0 HB2 ASN A 21 5.327 -9.246 8.664 1.00 0.98 H new ATOM 0 HB3 ASN A 21 4.723 -8.896 7.057 1.00 0.98 H new ATOM 0 HD21 ASN A 21 7.459 -6.619 6.253 1.00 1.91 H new ATOM 0 HD22 ASN A 21 5.787 -7.028 5.854 1.00 1.91 H new ATOM 328 N ASP A 22 2.923 -7.098 6.524 1.00 0.79 N ATOM 329 CA ASP A 22 2.343 -6.317 5.398 1.00 0.80 C ATOM 330 C ASP A 22 1.772 -4.995 5.920 1.00 0.71 C ATOM 331 O ASP A 22 2.010 -3.952 5.337 1.00 0.85 O ATOM 332 CB ASP A 22 1.253 -7.165 4.737 1.00 0.88 C ATOM 333 CG ASP A 22 1.913 -8.140 3.772 1.00 2.01 C ATOM 334 OD1 ASP A 22 2.425 -7.660 2.764 1.00 2.53 O ATOM 335 OD2 ASP A 22 1.855 -9.309 4.102 1.00 3.50 O ATOM 0 H ASP A 22 2.690 -8.091 6.527 1.00 0.79 H new ATOM 0 HA ASP A 22 3.111 -6.079 4.662 1.00 0.80 H new ATOM 0 HB2 ASP A 22 0.685 -7.707 5.493 1.00 0.88 H new ATOM 0 HB3 ASP A 22 0.547 -6.526 4.206 1.00 0.88 H new ATOM 340 N ILE A 23 1.013 -5.046 6.991 1.00 0.61 N ATOM 341 CA ILE A 23 0.473 -3.756 7.527 1.00 0.61 C ATOM 342 C ILE A 23 1.673 -2.971 8.012 1.00 0.79 C ATOM 343 O ILE A 23 2.009 -1.956 7.448 1.00 1.17 O ATOM 344 CB ILE A 23 -0.510 -3.979 8.698 1.00 0.67 C ATOM 345 CG1 ILE A 23 -1.806 -4.569 8.158 1.00 0.92 C ATOM 346 CG2 ILE A 23 -0.841 -2.662 9.407 1.00 1.04 C ATOM 347 CD1 ILE A 23 -1.684 -6.066 8.258 1.00 1.28 C ATOM 0 H ILE A 23 0.752 -5.890 7.500 1.00 0.61 H new ATOM 0 HA ILE A 23 -0.084 -3.231 6.751 1.00 0.61 H new ATOM 0 HB ILE A 23 -0.038 -4.655 9.410 1.00 0.67 H new ATOM 0 HG12 ILE A 23 -2.661 -4.213 8.733 1.00 0.92 H new ATOM 0 HG13 ILE A 23 -1.967 -4.264 7.124 1.00 0.92 H new ATOM 0 HG21 ILE A 23 -1.535 -2.854 10.226 1.00 1.04 H new ATOM 0 HG22 ILE A 23 0.074 -2.222 9.803 1.00 1.04 H new ATOM 0 HG23 ILE A 23 -1.298 -1.972 8.698 1.00 1.04 H new ATOM 0 HD11 ILE A 23 -2.594 -6.531 7.880 1.00 1.28 H new ATOM 0 HD12 ILE A 23 -0.832 -6.402 7.666 1.00 1.28 H new ATOM 0 HD13 ILE A 23 -1.537 -6.350 9.300 1.00 1.28 H new ATOM 359 N SER A 24 2.306 -3.488 9.027 1.00 0.78 N ATOM 360 CA SER A 24 3.514 -2.822 9.600 1.00 0.99 C ATOM 361 C SER A 24 4.331 -2.092 8.528 1.00 1.03 C ATOM 362 O SER A 24 4.867 -1.037 8.793 1.00 1.50 O ATOM 363 CB SER A 24 4.373 -3.891 10.269 1.00 1.14 C ATOM 364 OG SER A 24 3.466 -4.546 11.158 1.00 1.36 O ATOM 0 H SER A 24 2.036 -4.355 9.492 1.00 0.78 H new ATOM 0 HA SER A 24 3.192 -2.071 10.322 1.00 0.99 H new ATOM 0 HB2 SER A 24 4.790 -4.585 9.539 1.00 1.14 H new ATOM 0 HB3 SER A 24 5.213 -3.451 10.806 1.00 1.14 H new ATOM 0 HG SER A 24 3.003 -5.266 10.681 1.00 1.36 H new ATOM 370 N GLU A 25 4.418 -2.676 7.360 1.00 0.75 N ATOM 371 CA GLU A 25 5.174 -2.018 6.254 1.00 0.77 C ATOM 372 C GLU A 25 4.210 -1.112 5.456 1.00 0.83 C ATOM 373 O GLU A 25 4.341 0.096 5.500 1.00 0.96 O ATOM 374 CB GLU A 25 5.764 -3.111 5.337 1.00 0.84 C ATOM 375 CG GLU A 25 7.295 -3.249 5.523 1.00 1.10 C ATOM 376 CD GLU A 25 7.634 -4.346 6.540 1.00 1.90 C ATOM 377 OE1 GLU A 25 6.940 -4.405 7.546 1.00 2.78 O ATOM 378 OE2 GLU A 25 8.581 -5.068 6.247 1.00 2.95 O ATOM 0 H GLU A 25 4.000 -3.576 7.126 1.00 0.75 H new ATOM 0 HA GLU A 25 5.985 -1.409 6.654 1.00 0.77 H new ATOM 0 HB2 GLU A 25 5.284 -4.065 5.553 1.00 0.84 H new ATOM 0 HB3 GLU A 25 5.544 -2.871 4.297 1.00 0.84 H new ATOM 0 HG2 GLU A 25 7.761 -3.481 4.565 1.00 1.10 H new ATOM 0 HG3 GLU A 25 7.710 -2.298 5.858 1.00 1.10 H new ATOM 385 N LEU A 26 3.265 -1.702 4.749 1.00 0.98 N ATOM 386 CA LEU A 26 2.271 -0.892 3.948 1.00 1.10 C ATOM 387 C LEU A 26 1.846 0.339 4.758 1.00 1.10 C ATOM 388 O LEU A 26 1.896 1.459 4.296 1.00 1.14 O ATOM 389 CB LEU A 26 1.049 -1.792 3.677 1.00 1.23 C ATOM 390 CG LEU A 26 0.241 -1.345 2.445 1.00 1.47 C ATOM 391 CD1 LEU A 26 -0.989 -2.255 2.312 1.00 2.91 C ATOM 392 CD2 LEU A 26 -0.238 0.106 2.581 1.00 1.61 C ATOM 0 H LEU A 26 3.137 -2.712 4.691 1.00 0.98 H new ATOM 0 HA LEU A 26 2.710 -0.555 3.009 1.00 1.10 H new ATOM 0 HB2 LEU A 26 1.385 -2.819 3.533 1.00 1.23 H new ATOM 0 HB3 LEU A 26 0.400 -1.789 4.553 1.00 1.23 H new ATOM 0 HG LEU A 26 0.884 -1.414 1.568 1.00 1.47 H new ATOM 0 HD11 LEU A 26 -1.573 -1.952 1.443 1.00 2.91 H new ATOM 0 HD12 LEU A 26 -0.665 -3.289 2.189 1.00 2.91 H new ATOM 0 HD13 LEU A 26 -1.602 -2.171 3.209 1.00 2.91 H new ATOM 0 HD21 LEU A 26 -0.805 0.387 1.693 1.00 1.61 H new ATOM 0 HD22 LEU A 26 -0.874 0.198 3.462 1.00 1.61 H new ATOM 0 HD23 LEU A 26 0.624 0.765 2.685 1.00 1.61 H new ATOM 404 N HIS A 27 1.403 0.056 5.950 1.00 1.16 N ATOM 405 CA HIS A 27 0.945 1.095 6.918 1.00 1.30 C ATOM 406 C HIS A 27 1.846 2.329 6.904 1.00 1.22 C ATOM 407 O HIS A 27 1.360 3.448 6.952 1.00 1.37 O ATOM 408 CB HIS A 27 0.986 0.488 8.323 1.00 1.40 C ATOM 409 CG HIS A 27 0.086 1.187 9.315 1.00 0.77 C ATOM 410 ND1 HIS A 27 0.121 2.474 9.458 1.00 1.54 N ATOM 411 CD2 HIS A 27 -0.841 0.705 10.200 1.00 1.33 C ATOM 412 CE1 HIS A 27 -0.737 2.797 10.400 1.00 1.93 C ATOM 413 NE2 HIS A 27 -1.316 1.715 10.847 1.00 1.66 N ATOM 0 H HIS A 27 1.337 -0.896 6.309 1.00 1.16 H new ATOM 0 HA HIS A 27 -0.061 1.406 6.635 1.00 1.30 H new ATOM 0 HB2 HIS A 27 0.700 -0.562 8.264 1.00 1.40 H new ATOM 0 HB3 HIS A 27 2.011 0.518 8.692 1.00 1.40 H new ATOM 0 HD1 HIS A 27 0.709 3.121 8.933 1.00 1.54 H new ATOM 0 HD2 HIS A 27 -1.122 -0.329 10.332 1.00 1.33 H new ATOM 0 HE1 HIS A 27 -0.933 3.800 10.750 1.00 1.93 H new ATOM 421 N GLU A 28 3.132 2.077 6.950 1.00 1.07 N ATOM 422 CA GLU A 28 4.132 3.189 6.948 1.00 1.07 C ATOM 423 C GLU A 28 3.749 4.200 5.867 1.00 1.19 C ATOM 424 O GLU A 28 3.618 5.377 6.138 1.00 1.54 O ATOM 425 CB GLU A 28 5.527 2.587 6.684 1.00 0.90 C ATOM 426 CG GLU A 28 6.644 3.579 7.085 1.00 1.50 C ATOM 427 CD GLU A 28 6.549 4.888 6.296 1.00 3.21 C ATOM 428 OE1 GLU A 28 6.579 4.796 5.080 1.00 4.52 O ATOM 429 OE2 GLU A 28 6.460 5.909 6.959 1.00 4.03 O ATOM 0 H GLU A 28 3.534 1.140 6.989 1.00 1.07 H new ATOM 0 HA GLU A 28 4.148 3.706 7.907 1.00 1.07 H new ATOM 0 HB2 GLU A 28 5.639 1.660 7.247 1.00 0.90 H new ATOM 0 HB3 GLU A 28 5.623 2.333 5.628 1.00 0.90 H new ATOM 0 HG2 GLU A 28 6.576 3.791 8.152 1.00 1.50 H new ATOM 0 HG3 GLU A 28 7.617 3.120 6.913 1.00 1.50 H new ATOM 436 N LEU A 29 3.554 3.691 4.676 1.00 1.02 N ATOM 437 CA LEU A 29 3.169 4.567 3.525 1.00 1.15 C ATOM 438 C LEU A 29 2.192 5.668 3.968 1.00 1.20 C ATOM 439 O LEU A 29 2.377 6.822 3.632 1.00 1.53 O ATOM 440 CB LEU A 29 2.523 3.685 2.442 1.00 1.39 C ATOM 441 CG LEU A 29 2.021 4.525 1.249 1.00 1.80 C ATOM 442 CD1 LEU A 29 3.146 5.396 0.669 1.00 1.71 C ATOM 443 CD2 LEU A 29 1.520 3.576 0.154 1.00 2.64 C ATOM 0 H LEU A 29 3.645 2.701 4.450 1.00 1.02 H new ATOM 0 HA LEU A 29 4.058 5.060 3.131 1.00 1.15 H new ATOM 0 HB2 LEU A 29 3.247 2.950 2.091 1.00 1.39 H new ATOM 0 HB3 LEU A 29 1.690 3.130 2.873 1.00 1.39 H new ATOM 0 HG LEU A 29 1.221 5.178 1.598 1.00 1.80 H new ATOM 0 HD11 LEU A 29 2.761 5.976 -0.170 1.00 1.71 H new ATOM 0 HD12 LEU A 29 3.516 6.073 1.439 1.00 1.71 H new ATOM 0 HD13 LEU A 29 3.960 4.758 0.326 1.00 1.71 H new ATOM 0 HD21 LEU A 29 1.162 4.157 -0.696 1.00 2.64 H new ATOM 0 HD22 LEU A 29 2.336 2.928 -0.167 1.00 2.64 H new ATOM 0 HD23 LEU A 29 0.706 2.967 0.545 1.00 2.64 H new ATOM 455 N ALA A 30 1.174 5.277 4.708 1.00 1.20 N ATOM 456 CA ALA A 30 0.163 6.279 5.181 1.00 1.40 C ATOM 457 C ALA A 30 0.853 7.579 5.618 1.00 1.32 C ATOM 458 O ALA A 30 0.409 8.661 5.280 1.00 1.46 O ATOM 459 CB ALA A 30 -0.636 5.703 6.355 1.00 1.62 C ATOM 0 H ALA A 30 1.003 4.315 5.001 1.00 1.20 H new ATOM 0 HA ALA A 30 -0.513 6.500 4.355 1.00 1.40 H new ATOM 0 HB1 ALA A 30 -1.368 6.437 6.692 1.00 1.62 H new ATOM 0 HB2 ALA A 30 -1.151 4.798 6.035 1.00 1.62 H new ATOM 0 HB3 ALA A 30 0.042 5.464 7.174 1.00 1.62 H new ATOM 465 N SER A 31 1.915 7.420 6.374 1.00 1.56 N ATOM 466 CA SER A 31 2.698 8.598 6.868 1.00 1.77 C ATOM 467 C SER A 31 2.837 9.645 5.765 1.00 1.85 C ATOM 468 O SER A 31 2.500 10.801 5.918 1.00 2.39 O ATOM 469 CB SER A 31 4.106 8.132 7.268 1.00 2.29 C ATOM 470 OG SER A 31 4.695 7.684 6.045 1.00 3.65 O ATOM 0 H SER A 31 2.276 6.514 6.673 1.00 1.56 H new ATOM 0 HA SER A 31 2.176 9.033 7.720 1.00 1.77 H new ATOM 0 HB2 SER A 31 4.682 8.944 7.712 1.00 2.29 H new ATOM 0 HB3 SER A 31 4.064 7.331 8.006 1.00 2.29 H new ATOM 0 HG SER A 31 4.742 6.705 6.044 1.00 3.65 H new ATOM 476 N THR A 32 3.307 9.159 4.660 1.00 1.72 N ATOM 477 CA THR A 32 3.546 10.006 3.475 1.00 2.24 C ATOM 478 C THR A 32 2.576 9.597 2.361 1.00 2.48 C ATOM 479 O THR A 32 2.940 9.437 1.207 1.00 3.17 O ATOM 480 CB THR A 32 5.020 9.792 3.074 1.00 2.35 C ATOM 481 OG1 THR A 32 5.288 8.401 3.281 1.00 2.60 O ATOM 482 CG2 THR A 32 5.975 10.501 4.040 1.00 2.64 C ATOM 0 H THR A 32 3.543 8.176 4.527 1.00 1.72 H new ATOM 0 HA THR A 32 3.372 11.064 3.674 1.00 2.24 H new ATOM 0 HB THR A 32 5.163 10.156 2.057 1.00 2.35 H new ATOM 0 HG1 THR A 32 6.218 8.207 3.039 1.00 2.60 H new ATOM 0 HG21 THR A 32 7.004 10.328 3.726 1.00 2.64 H new ATOM 0 HG22 THR A 32 5.769 11.571 4.035 1.00 2.64 H new ATOM 0 HG23 THR A 32 5.832 10.108 5.047 1.00 2.64 H new ATOM 490 N ARG A 33 1.321 9.494 2.728 1.00 2.70 N ATOM 491 CA ARG A 33 0.275 9.094 1.741 1.00 3.22 C ATOM 492 C ARG A 33 -0.065 10.241 0.775 1.00 2.37 C ATOM 493 O ARG A 33 -1.139 10.815 0.840 1.00 3.02 O ATOM 494 CB ARG A 33 -0.999 8.673 2.503 1.00 4.82 C ATOM 495 CG ARG A 33 -1.893 7.797 1.604 1.00 6.05 C ATOM 496 CD ARG A 33 -3.197 7.419 2.340 1.00 7.68 C ATOM 497 NE ARG A 33 -4.068 8.626 2.536 1.00 8.36 N ATOM 498 CZ ARG A 33 -4.377 9.387 1.522 1.00 8.60 C ATOM 499 NH1 ARG A 33 -3.536 10.303 1.165 1.00 8.05 N ATOM 500 NH2 ARG A 33 -5.504 9.185 0.898 1.00 9.76 N ATOM 0 H ARG A 33 0.978 9.671 3.672 1.00 2.70 H new ATOM 0 HA ARG A 33 0.663 8.264 1.151 1.00 3.22 H new ATOM 0 HB2 ARG A 33 -0.727 8.123 3.404 1.00 4.82 H new ATOM 0 HB3 ARG A 33 -1.549 9.558 2.823 1.00 4.82 H new ATOM 0 HG2 ARG A 33 -2.130 8.332 0.685 1.00 6.05 H new ATOM 0 HG3 ARG A 33 -1.356 6.893 1.317 1.00 6.05 H new ATOM 0 HD2 ARG A 33 -3.737 6.664 1.768 1.00 7.68 H new ATOM 0 HD3 ARG A 33 -2.959 6.976 3.307 1.00 7.68 H new ATOM 0 HE ARG A 33 -4.420 8.852 3.466 1.00 8.36 H new ATOM 0 HH11 ARG A 33 -2.658 10.415 1.673 1.00 8.05 H new ATOM 0 HH12 ARG A 33 -3.751 10.913 0.376 1.00 8.05 H new ATOM 0 HH21 ARG A 33 -6.130 8.440 1.204 1.00 9.76 H new ATOM 0 HH22 ARG A 33 -5.759 9.772 0.104 1.00 9.76 H new ATOM 514 N GLN A 34 0.836 10.545 -0.118 1.00 1.93 N ATOM 515 CA GLN A 34 0.547 11.633 -1.118 1.00 2.40 C ATOM 516 C GLN A 34 -0.230 10.964 -2.269 1.00 2.21 C ATOM 517 O GLN A 34 0.010 11.200 -3.437 1.00 2.24 O ATOM 518 CB GLN A 34 1.886 12.217 -1.624 1.00 3.25 C ATOM 519 CG GLN A 34 1.850 13.758 -1.602 1.00 4.07 C ATOM 520 CD GLN A 34 0.895 14.319 -2.664 1.00 5.31 C ATOM 521 OE1 GLN A 34 0.315 15.365 -2.489 1.00 6.32 O ATOM 522 NE2 GLN A 34 0.714 13.692 -3.785 1.00 6.03 N ATOM 0 H GLN A 34 1.749 10.100 -0.205 1.00 1.93 H new ATOM 0 HA GLN A 34 -0.034 12.449 -0.688 1.00 2.40 H new ATOM 0 HB2 GLN A 34 2.704 11.858 -1.000 1.00 3.25 H new ATOM 0 HB3 GLN A 34 2.081 11.867 -2.638 1.00 3.25 H new ATOM 0 HG2 GLN A 34 1.539 14.101 -0.615 1.00 4.07 H new ATOM 0 HG3 GLN A 34 2.853 14.148 -1.773 1.00 4.07 H new ATOM 0 HE21 GLN A 34 1.192 12.807 -3.958 1.00 6.03 H new ATOM 0 HE22 GLN A 34 0.094 14.084 -4.494 1.00 6.03 H new ATOM 531 N ILE A 35 -1.151 10.122 -1.862 1.00 2.23 N ATOM 532 CA ILE A 35 -2.001 9.331 -2.804 1.00 2.09 C ATOM 533 C ILE A 35 -3.383 9.132 -2.174 1.00 1.86 C ATOM 534 O ILE A 35 -3.725 9.808 -1.223 1.00 2.24 O ATOM 535 CB ILE A 35 -1.352 7.946 -2.998 1.00 2.07 C ATOM 536 CG1 ILE A 35 -1.239 7.258 -1.618 1.00 2.04 C ATOM 537 CG2 ILE A 35 0.038 8.096 -3.618 1.00 2.23 C ATOM 538 CD1 ILE A 35 -0.356 6.012 -1.690 1.00 1.88 C ATOM 0 H ILE A 35 -1.354 9.946 -0.878 1.00 2.23 H new ATOM 0 HA ILE A 35 -2.092 9.851 -3.758 1.00 2.09 H new ATOM 0 HB ILE A 35 -1.965 7.343 -3.668 1.00 2.07 H new ATOM 0 HG12 ILE A 35 -0.825 7.958 -0.893 1.00 2.04 H new ATOM 0 HG13 ILE A 35 -2.232 6.983 -1.264 1.00 2.04 H new ATOM 0 HG21 ILE A 35 0.486 7.111 -3.750 1.00 2.23 H new ATOM 0 HG22 ILE A 35 -0.047 8.589 -4.587 1.00 2.23 H new ATOM 0 HG23 ILE A 35 0.667 8.695 -2.960 1.00 2.23 H new ATOM 0 HD11 ILE A 35 -0.296 5.551 -0.704 1.00 1.88 H new ATOM 0 HD12 ILE A 35 -0.785 5.302 -2.397 1.00 1.88 H new ATOM 0 HD13 ILE A 35 0.644 6.293 -2.020 1.00 1.88 H new ATOM 550 N ASP A 36 -4.149 8.221 -2.724 1.00 1.46 N ATOM 551 CA ASP A 36 -5.486 7.925 -2.138 1.00 1.31 C ATOM 552 C ASP A 36 -5.645 6.405 -2.073 1.00 1.04 C ATOM 553 O ASP A 36 -4.969 5.690 -2.798 1.00 1.09 O ATOM 554 CB ASP A 36 -6.614 8.525 -2.986 1.00 1.61 C ATOM 555 CG ASP A 36 -7.938 8.509 -2.198 1.00 3.03 C ATOM 556 OD1 ASP A 36 -7.854 8.455 -0.966 1.00 3.85 O ATOM 557 OD2 ASP A 36 -8.956 8.589 -2.868 1.00 4.27 O ATOM 0 H ASP A 36 -3.904 7.674 -3.549 1.00 1.46 H new ATOM 0 HA ASP A 36 -5.550 8.369 -1.144 1.00 1.31 H new ATOM 0 HB2 ASP A 36 -6.362 9.547 -3.268 1.00 1.61 H new ATOM 0 HB3 ASP A 36 -6.725 7.958 -3.910 1.00 1.61 H new ATOM 562 N PHE A 37 -6.530 5.942 -1.241 1.00 0.94 N ATOM 563 CA PHE A 37 -6.738 4.463 -1.108 1.00 0.82 C ATOM 564 C PHE A 37 -8.198 4.145 -1.444 1.00 0.94 C ATOM 565 O PHE A 37 -9.022 5.035 -1.448 1.00 1.31 O ATOM 566 CB PHE A 37 -6.446 4.042 0.337 1.00 0.94 C ATOM 567 CG PHE A 37 -4.968 3.666 0.593 1.00 0.99 C ATOM 568 CD1 PHE A 37 -3.914 4.148 -0.165 1.00 2.33 C ATOM 569 CD2 PHE A 37 -4.690 2.815 1.650 1.00 1.30 C ATOM 570 CE1 PHE A 37 -2.613 3.779 0.132 1.00 2.56 C ATOM 571 CE2 PHE A 37 -3.396 2.452 1.945 1.00 1.36 C ATOM 572 CZ PHE A 37 -2.355 2.933 1.188 1.00 1.51 C ATOM 0 H PHE A 37 -7.123 6.518 -0.643 1.00 0.94 H new ATOM 0 HA PHE A 37 -6.073 3.926 -1.784 1.00 0.82 H new ATOM 0 HB2 PHE A 37 -6.725 4.856 1.006 1.00 0.94 H new ATOM 0 HB3 PHE A 37 -7.077 3.190 0.592 1.00 0.94 H new ATOM 0 HD1 PHE A 37 -4.108 4.815 -0.992 1.00 2.33 H new ATOM 0 HD2 PHE A 37 -5.501 2.431 2.251 1.00 1.30 H new ATOM 0 HE1 PHE A 37 -1.797 4.156 -0.467 1.00 2.56 H new ATOM 0 HE2 PHE A 37 -3.198 1.788 2.773 1.00 1.36 H new ATOM 0 HZ PHE A 37 -1.339 2.649 1.420 1.00 1.51 H new ATOM 582 N TRP A 38 -8.503 2.898 -1.699 1.00 1.01 N ATOM 583 CA TRP A 38 -9.922 2.565 -2.048 1.00 1.27 C ATOM 584 C TRP A 38 -10.489 1.396 -1.235 1.00 1.35 C ATOM 585 O TRP A 38 -11.428 1.566 -0.479 1.00 1.62 O ATOM 586 CB TRP A 38 -9.988 2.223 -3.543 1.00 1.32 C ATOM 587 CG TRP A 38 -11.290 1.563 -4.011 1.00 2.71 C ATOM 588 CD1 TRP A 38 -12.541 2.102 -3.930 1.00 3.45 C ATOM 589 CD2 TRP A 38 -11.496 0.302 -4.522 1.00 3.99 C ATOM 590 NE1 TRP A 38 -13.428 1.244 -4.347 1.00 4.86 N ATOM 591 CE2 TRP A 38 -12.854 0.117 -4.723 1.00 5.26 C ATOM 592 CE3 TRP A 38 -10.584 -0.691 -4.819 1.00 4.37 C ATOM 593 CZ2 TRP A 38 -13.325 -1.073 -5.218 1.00 6.74 C ATOM 594 CZ3 TRP A 38 -11.073 -1.888 -5.319 1.00 5.92 C ATOM 595 CH2 TRP A 38 -12.431 -2.079 -5.516 1.00 7.02 C ATOM 0 H TRP A 38 -7.852 2.113 -1.683 1.00 1.01 H new ATOM 0 HA TRP A 38 -10.531 3.436 -1.808 1.00 1.27 H new ATOM 0 HB2 TRP A 38 -9.839 3.139 -4.115 1.00 1.32 H new ATOM 0 HB3 TRP A 38 -9.158 1.559 -3.783 1.00 1.32 H new ATOM 0 HD1 TRP A 38 -12.764 3.096 -3.572 1.00 3.45 H new ATOM 0 HE1 TRP A 38 -14.432 1.420 -4.379 1.00 4.86 H new ATOM 0 HE3 TRP A 38 -9.525 -0.540 -4.667 1.00 4.37 H new ATOM 0 HZ2 TRP A 38 -14.384 -1.220 -5.372 1.00 6.74 H new ATOM 0 HZ3 TRP A 38 -10.384 -2.685 -5.559 1.00 5.92 H new ATOM 0 HH2 TRP A 38 -12.791 -3.020 -5.905 1.00 7.02 H new ATOM 606 N LYS A 39 -9.934 0.232 -1.426 1.00 1.25 N ATOM 607 CA LYS A 39 -10.454 -0.964 -0.695 1.00 1.40 C ATOM 608 C LYS A 39 -9.341 -1.648 0.113 1.00 1.38 C ATOM 609 O LYS A 39 -8.440 -2.231 -0.460 1.00 1.63 O ATOM 610 CB LYS A 39 -11.027 -1.942 -1.732 1.00 1.49 C ATOM 611 CG LYS A 39 -11.670 -3.147 -1.025 1.00 3.31 C ATOM 612 CD LYS A 39 -11.361 -4.461 -1.773 1.00 4.14 C ATOM 613 CE LYS A 39 -10.005 -5.042 -1.318 1.00 5.64 C ATOM 614 NZ LYS A 39 -8.858 -4.302 -1.913 1.00 5.55 N ATOM 0 H LYS A 39 -9.148 0.054 -2.051 1.00 1.25 H new ATOM 0 HA LYS A 39 -11.226 -0.653 0.009 1.00 1.40 H new ATOM 0 HB2 LYS A 39 -11.768 -1.435 -2.350 1.00 1.49 H new ATOM 0 HB3 LYS A 39 -10.235 -2.282 -2.399 1.00 1.49 H new ATOM 0 HG2 LYS A 39 -11.300 -3.212 -0.002 1.00 3.31 H new ATOM 0 HG3 LYS A 39 -12.749 -3.004 -0.965 1.00 3.31 H new ATOM 0 HD2 LYS A 39 -12.154 -5.186 -1.587 1.00 4.14 H new ATOM 0 HD3 LYS A 39 -11.342 -4.278 -2.847 1.00 4.14 H new ATOM 0 HE2 LYS A 39 -9.939 -5.002 -0.231 1.00 5.64 H new ATOM 0 HE3 LYS A 39 -9.946 -6.093 -1.602 1.00 5.64 H new ATOM 0 HZ1 LYS A 39 -8.075 -4.962 -2.093 1.00 5.55 H new ATOM 0 HZ2 LYS A 39 -9.154 -3.864 -2.809 1.00 5.55 H new ATOM 0 HZ3 LYS A 39 -8.543 -3.562 -1.254 1.00 5.55 H new ATOM 628 N PRO A 40 -9.419 -1.568 1.423 1.00 1.35 N ATOM 629 CA PRO A 40 -10.129 -0.482 2.149 1.00 1.57 C ATOM 630 C PRO A 40 -9.541 0.891 1.799 1.00 1.99 C ATOM 631 O PRO A 40 -8.592 0.995 1.042 1.00 3.05 O ATOM 632 CB PRO A 40 -9.922 -0.834 3.630 1.00 2.19 C ATOM 633 CG PRO A 40 -9.586 -2.343 3.645 1.00 1.89 C ATOM 634 CD PRO A 40 -8.861 -2.607 2.319 1.00 1.62 C ATOM 0 HA PRO A 40 -11.185 -0.414 1.886 1.00 1.57 H new ATOM 0 HB2 PRO A 40 -9.114 -0.246 4.065 1.00 2.19 H new ATOM 0 HB3 PRO A 40 -10.818 -0.624 4.214 1.00 2.19 H new ATOM 0 HG2 PRO A 40 -8.955 -2.597 4.496 1.00 1.89 H new ATOM 0 HG3 PRO A 40 -10.490 -2.947 3.727 1.00 1.89 H new ATOM 0 HD2 PRO A 40 -7.780 -2.512 2.424 1.00 1.62 H new ATOM 0 HD3 PRO A 40 -9.058 -3.611 1.944 1.00 1.62 H new ATOM 642 N ASP A 41 -10.097 1.898 2.391 1.00 1.85 N ATOM 643 CA ASP A 41 -9.626 3.283 2.126 1.00 2.65 C ATOM 644 C ASP A 41 -8.576 3.700 3.157 1.00 2.24 C ATOM 645 O ASP A 41 -7.512 4.154 2.802 1.00 2.85 O ATOM 646 CB ASP A 41 -10.834 4.225 2.215 1.00 3.59 C ATOM 647 CG ASP A 41 -11.382 4.230 3.644 1.00 3.63 C ATOM 648 OD1 ASP A 41 -11.650 3.135 4.125 1.00 3.59 O ATOM 649 OD2 ASP A 41 -11.472 5.311 4.184 1.00 4.59 O ATOM 0 H ASP A 41 -10.867 1.825 3.056 1.00 1.85 H new ATOM 0 HA ASP A 41 -9.172 3.332 1.136 1.00 2.65 H new ATOM 0 HB2 ASP A 41 -10.542 5.234 1.924 1.00 3.59 H new ATOM 0 HB3 ASP A 41 -11.609 3.904 1.519 1.00 3.59 H new ATOM 654 N SER A 42 -8.865 3.499 4.404 1.00 1.73 N ATOM 655 CA SER A 42 -7.882 3.919 5.436 1.00 1.60 C ATOM 656 C SER A 42 -6.907 2.792 5.784 1.00 1.42 C ATOM 657 O SER A 42 -6.988 1.689 5.272 1.00 2.16 O ATOM 658 CB SER A 42 -8.661 4.344 6.686 1.00 1.79 C ATOM 659 OG SER A 42 -7.671 4.837 7.587 1.00 2.79 O ATOM 0 H SER A 42 -9.722 3.070 4.753 1.00 1.73 H new ATOM 0 HA SER A 42 -7.288 4.746 5.048 1.00 1.60 H new ATOM 0 HB2 SER A 42 -9.398 5.112 6.450 1.00 1.79 H new ATOM 0 HB3 SER A 42 -9.204 3.503 7.118 1.00 1.79 H new ATOM 0 HG SER A 42 -7.904 4.577 8.503 1.00 2.79 H new ATOM 665 N VAL A 43 -6.005 3.125 6.660 1.00 1.24 N ATOM 666 CA VAL A 43 -4.982 2.151 7.126 1.00 1.16 C ATOM 667 C VAL A 43 -5.279 1.833 8.586 1.00 1.17 C ATOM 668 O VAL A 43 -5.221 0.692 9.005 1.00 1.56 O ATOM 669 CB VAL A 43 -3.583 2.766 6.947 1.00 1.48 C ATOM 670 CG1 VAL A 43 -2.575 2.106 7.888 1.00 2.61 C ATOM 671 CG2 VAL A 43 -3.121 2.503 5.510 1.00 1.79 C ATOM 0 H VAL A 43 -5.932 4.051 7.082 1.00 1.24 H new ATOM 0 HA VAL A 43 -5.011 1.227 6.548 1.00 1.16 H new ATOM 0 HB VAL A 43 -3.638 3.832 7.166 1.00 1.48 H new ATOM 0 HG11 VAL A 43 -1.593 2.557 7.744 1.00 2.61 H new ATOM 0 HG12 VAL A 43 -2.892 2.251 8.921 1.00 2.61 H new ATOM 0 HG13 VAL A 43 -2.520 1.039 7.672 1.00 2.61 H new ATOM 0 HG21 VAL A 43 -2.130 2.932 5.362 1.00 1.79 H new ATOM 0 HG22 VAL A 43 -3.082 1.428 5.331 1.00 1.79 H new ATOM 0 HG23 VAL A 43 -3.822 2.962 4.813 1.00 1.79 H new ATOM 681 N THR A 44 -5.580 2.877 9.308 1.00 1.57 N ATOM 682 CA THR A 44 -5.934 2.785 10.760 1.00 1.76 C ATOM 683 C THR A 44 -6.578 1.444 11.141 1.00 1.73 C ATOM 684 O THR A 44 -6.340 0.929 12.216 1.00 2.25 O ATOM 685 CB THR A 44 -6.915 3.920 11.068 1.00 1.88 C ATOM 686 OG1 THR A 44 -7.922 3.800 10.067 1.00 1.62 O ATOM 687 CG2 THR A 44 -6.290 5.296 10.815 1.00 2.30 C ATOM 0 H THR A 44 -5.596 3.828 8.939 1.00 1.57 H new ATOM 0 HA THR A 44 -5.015 2.864 11.341 1.00 1.76 H new ATOM 0 HB THR A 44 -7.246 3.850 12.104 1.00 1.88 H new ATOM 0 HG1 THR A 44 -8.613 4.478 10.216 1.00 1.62 H new ATOM 0 HG21 THR A 44 -7.018 6.074 11.045 1.00 2.30 H new ATOM 0 HG22 THR A 44 -5.413 5.420 11.451 1.00 2.30 H new ATOM 0 HG23 THR A 44 -5.994 5.374 9.769 1.00 2.30 H new ATOM 695 N GLN A 45 -7.432 0.948 10.276 1.00 1.49 N ATOM 696 CA GLN A 45 -8.117 -0.351 10.560 1.00 1.65 C ATOM 697 C GLN A 45 -7.792 -1.418 9.502 1.00 1.54 C ATOM 698 O GLN A 45 -8.689 -2.057 8.986 1.00 1.72 O ATOM 699 CB GLN A 45 -9.636 -0.131 10.560 1.00 1.94 C ATOM 700 CG GLN A 45 -10.047 0.916 11.605 1.00 2.81 C ATOM 701 CD GLN A 45 -11.581 0.998 11.661 1.00 3.23 C ATOM 702 OE1 GLN A 45 -12.147 1.622 12.531 1.00 4.33 O ATOM 703 NE2 GLN A 45 -12.292 0.388 10.755 1.00 3.40 N ATOM 0 H GLN A 45 -7.682 1.386 9.389 1.00 1.49 H new ATOM 0 HA GLN A 45 -7.763 -0.702 11.530 1.00 1.65 H new ATOM 0 HB2 GLN A 45 -9.959 0.193 9.571 1.00 1.94 H new ATOM 0 HB3 GLN A 45 -10.142 -1.074 10.768 1.00 1.94 H new ATOM 0 HG2 GLN A 45 -9.649 0.647 12.583 1.00 2.81 H new ATOM 0 HG3 GLN A 45 -9.628 1.889 11.347 1.00 2.81 H new ATOM 0 HE21 GLN A 45 -11.830 -0.142 10.016 1.00 3.40 H new ATOM 0 HE22 GLN A 45 -13.310 0.440 10.785 1.00 3.40 H new ATOM 712 N ILE A 46 -6.542 -1.612 9.188 1.00 1.45 N ATOM 713 CA ILE A 46 -6.211 -2.666 8.172 1.00 1.36 C ATOM 714 C ILE A 46 -5.587 -3.871 8.875 1.00 1.34 C ATOM 715 O ILE A 46 -4.919 -3.727 9.878 1.00 1.38 O ATOM 716 CB ILE A 46 -5.231 -2.094 7.133 1.00 1.28 C ATOM 717 CG1 ILE A 46 -5.870 -0.987 6.316 1.00 1.84 C ATOM 718 CG2 ILE A 46 -4.693 -3.207 6.219 1.00 1.10 C ATOM 719 CD1 ILE A 46 -6.925 -1.569 5.423 1.00 1.70 C ATOM 0 H ILE A 46 -5.748 -1.103 9.576 1.00 1.45 H new ATOM 0 HA ILE A 46 -7.122 -2.981 7.662 1.00 1.36 H new ATOM 0 HB ILE A 46 -4.391 -1.660 7.676 1.00 1.28 H new ATOM 0 HG12 ILE A 46 -6.310 -0.240 6.977 1.00 1.84 H new ATOM 0 HG13 ILE A 46 -5.113 -0.478 5.719 1.00 1.84 H new ATOM 0 HG21 ILE A 46 -4.002 -2.779 5.493 1.00 1.10 H new ATOM 0 HG22 ILE A 46 -4.172 -3.952 6.821 1.00 1.10 H new ATOM 0 HG23 ILE A 46 -5.523 -3.681 5.695 1.00 1.10 H new ATOM 0 HD11 ILE A 46 -7.384 -0.774 4.836 1.00 1.70 H new ATOM 0 HD12 ILE A 46 -6.472 -2.299 4.753 1.00 1.70 H new ATOM 0 HD13 ILE A 46 -7.687 -2.058 6.030 1.00 1.70 H new ATOM 731 N LYS A 47 -5.834 -5.035 8.330 1.00 1.34 N ATOM 732 CA LYS A 47 -5.291 -6.307 8.917 1.00 1.36 C ATOM 733 C LYS A 47 -4.740 -7.192 7.788 1.00 1.15 C ATOM 734 O LYS A 47 -4.747 -6.816 6.630 1.00 1.25 O ATOM 735 CB LYS A 47 -6.443 -7.007 9.673 1.00 1.61 C ATOM 736 CG LYS A 47 -6.731 -6.305 11.026 1.00 2.82 C ATOM 737 CD LYS A 47 -5.635 -6.589 12.085 1.00 4.27 C ATOM 738 CE LYS A 47 -4.676 -5.389 12.225 1.00 5.93 C ATOM 739 NZ LYS A 47 -3.573 -5.675 13.194 1.00 7.24 N ATOM 0 H LYS A 47 -6.398 -5.164 7.490 1.00 1.34 H new ATOM 0 HA LYS A 47 -4.475 -6.108 9.611 1.00 1.36 H new ATOM 0 HB2 LYS A 47 -7.343 -7.001 9.058 1.00 1.61 H new ATOM 0 HB3 LYS A 47 -6.185 -8.051 9.849 1.00 1.61 H new ATOM 0 HG2 LYS A 47 -6.807 -5.230 10.865 1.00 2.82 H new ATOM 0 HG3 LYS A 47 -7.696 -6.639 11.407 1.00 2.82 H new ATOM 0 HD2 LYS A 47 -6.101 -6.801 13.047 1.00 4.27 H new ATOM 0 HD3 LYS A 47 -5.072 -7.478 11.801 1.00 4.27 H new ATOM 0 HE2 LYS A 47 -4.251 -5.146 11.251 1.00 5.93 H new ATOM 0 HE3 LYS A 47 -5.234 -4.513 12.556 1.00 5.93 H new ATOM 0 HZ1 LYS A 47 -2.708 -5.184 12.890 1.00 7.24 H new ATOM 0 HZ2 LYS A 47 -3.847 -5.341 14.140 1.00 7.24 H new ATOM 0 HZ3 LYS A 47 -3.396 -6.699 13.226 1.00 7.24 H new ATOM 753 N PRO A 48 -4.163 -8.310 8.161 1.00 1.06 N ATOM 754 CA PRO A 48 -3.942 -9.445 7.232 1.00 0.89 C ATOM 755 C PRO A 48 -5.142 -9.654 6.290 1.00 1.12 C ATOM 756 O PRO A 48 -6.209 -9.135 6.541 1.00 1.52 O ATOM 757 CB PRO A 48 -3.719 -10.647 8.159 1.00 0.95 C ATOM 758 CG PRO A 48 -3.679 -10.113 9.613 1.00 0.97 C ATOM 759 CD PRO A 48 -3.689 -8.580 9.535 1.00 1.27 C ATOM 0 HA PRO A 48 -3.097 -9.279 6.564 1.00 0.89 H new ATOM 0 HB2 PRO A 48 -4.520 -11.376 8.040 1.00 0.95 H new ATOM 0 HB3 PRO A 48 -2.787 -11.154 7.911 1.00 0.95 H new ATOM 0 HG2 PRO A 48 -4.537 -10.475 10.179 1.00 0.97 H new ATOM 0 HG3 PRO A 48 -2.786 -10.466 10.128 1.00 0.97 H new ATOM 0 HD2 PRO A 48 -4.352 -8.144 10.282 1.00 1.27 H new ATOM 0 HD3 PRO A 48 -2.697 -8.162 9.707 1.00 1.27 H new ATOM 767 N HIS A 49 -4.939 -10.422 5.240 1.00 1.15 N ATOM 768 CA HIS A 49 -6.017 -10.716 4.227 1.00 1.60 C ATOM 769 C HIS A 49 -7.033 -9.571 4.077 1.00 1.65 C ATOM 770 O HIS A 49 -8.209 -9.793 3.833 1.00 1.88 O ATOM 771 CB HIS A 49 -6.764 -11.986 4.645 1.00 1.84 C ATOM 772 CG HIS A 49 -5.902 -13.250 4.666 1.00 2.11 C ATOM 773 ND1 HIS A 49 -6.453 -14.428 4.764 1.00 2.76 N ATOM 774 CD2 HIS A 49 -4.546 -13.457 4.609 1.00 3.22 C ATOM 775 CE1 HIS A 49 -5.507 -15.339 4.771 1.00 3.59 C ATOM 776 NE2 HIS A 49 -4.347 -14.739 4.676 1.00 3.81 N ATOM 0 H HIS A 49 -4.046 -10.871 5.036 1.00 1.15 H new ATOM 0 HA HIS A 49 -5.524 -10.841 3.263 1.00 1.60 H new ATOM 0 HB2 HIS A 49 -7.187 -11.833 5.638 1.00 1.84 H new ATOM 0 HB3 HIS A 49 -7.600 -12.142 3.963 1.00 1.84 H new ATOM 0 HD2 HIS A 49 -3.785 -12.695 4.524 1.00 3.22 H new ATOM 0 HE1 HIS A 49 -5.660 -16.406 4.843 1.00 3.59 H new ATOM 0 HE2 HIS A 49 -3.438 -15.201 4.658 1.00 3.81 H new ATOM 784 N SER A 50 -6.548 -8.370 4.189 1.00 1.69 N ATOM 785 CA SER A 50 -7.460 -7.208 4.052 1.00 2.06 C ATOM 786 C SER A 50 -7.481 -6.781 2.597 1.00 2.01 C ATOM 787 O SER A 50 -8.493 -6.333 2.109 1.00 3.79 O ATOM 788 CB SER A 50 -6.967 -6.061 4.932 1.00 2.12 C ATOM 789 OG SER A 50 -7.165 -6.541 6.254 1.00 2.63 O ATOM 0 H SER A 50 -5.569 -8.144 4.368 1.00 1.69 H new ATOM 0 HA SER A 50 -8.467 -7.480 4.369 1.00 2.06 H new ATOM 0 HB2 SER A 50 -5.918 -5.833 4.742 1.00 2.12 H new ATOM 0 HB3 SER A 50 -7.530 -5.146 4.750 1.00 2.12 H new ATOM 0 HG SER A 50 -6.750 -7.424 6.347 1.00 2.63 H new ATOM 795 N THR A 51 -6.381 -7.004 1.924 1.00 1.25 N ATOM 796 CA THR A 51 -6.289 -6.609 0.491 1.00 0.97 C ATOM 797 C THR A 51 -6.532 -5.106 0.412 1.00 0.96 C ATOM 798 O THR A 51 -7.641 -4.618 0.395 1.00 1.11 O ATOM 799 CB THR A 51 -7.359 -7.262 -0.338 1.00 1.49 C ATOM 800 OG1 THR A 51 -7.658 -8.512 0.284 1.00 2.30 O ATOM 801 CG2 THR A 51 -6.878 -7.620 -1.748 1.00 1.50 C ATOM 0 H THR A 51 -5.544 -7.443 2.307 1.00 1.25 H new ATOM 0 HA THR A 51 -5.311 -6.909 0.115 1.00 0.97 H new ATOM 0 HB THR A 51 -8.198 -6.569 -0.407 1.00 1.49 H new ATOM 0 HG1 THR A 51 -8.356 -8.973 -0.226 1.00 2.30 H new ATOM 0 HG21 THR A 51 -7.691 -8.089 -2.302 1.00 1.50 H new ATOM 0 HG22 THR A 51 -6.561 -6.714 -2.265 1.00 1.50 H new ATOM 0 HG23 THR A 51 -6.039 -8.312 -1.681 1.00 1.50 H new ATOM 809 N VAL A 52 -5.485 -4.442 0.264 1.00 1.05 N ATOM 810 CA VAL A 52 -5.514 -2.962 0.202 1.00 1.18 C ATOM 811 C VAL A 52 -5.213 -2.531 -1.220 1.00 1.14 C ATOM 812 O VAL A 52 -4.190 -2.870 -1.771 1.00 1.32 O ATOM 813 CB VAL A 52 -4.461 -2.389 1.156 1.00 1.40 C ATOM 814 CG1 VAL A 52 -4.492 -0.856 1.079 1.00 2.14 C ATOM 815 CG2 VAL A 52 -4.774 -2.828 2.590 1.00 1.71 C ATOM 0 H VAL A 52 -4.555 -4.852 0.177 1.00 1.05 H new ATOM 0 HA VAL A 52 -6.496 -2.593 0.498 1.00 1.18 H new ATOM 0 HB VAL A 52 -3.474 -2.755 0.871 1.00 1.40 H new ATOM 0 HG11 VAL A 52 -3.745 -0.443 1.756 1.00 2.14 H new ATOM 0 HG12 VAL A 52 -4.273 -0.538 0.059 1.00 2.14 H new ATOM 0 HG13 VAL A 52 -5.480 -0.497 1.367 1.00 2.14 H new ATOM 0 HG21 VAL A 52 -4.024 -2.420 3.267 1.00 1.71 H new ATOM 0 HG22 VAL A 52 -5.760 -2.461 2.876 1.00 1.71 H new ATOM 0 HG23 VAL A 52 -4.761 -3.916 2.648 1.00 1.71 H new ATOM 825 N ASP A 53 -6.117 -1.795 -1.763 1.00 1.01 N ATOM 826 CA ASP A 53 -5.947 -1.319 -3.145 1.00 1.07 C ATOM 827 C ASP A 53 -5.842 0.202 -3.072 1.00 0.96 C ATOM 828 O ASP A 53 -6.571 0.838 -2.316 1.00 1.04 O ATOM 829 CB ASP A 53 -7.177 -1.752 -3.951 1.00 1.29 C ATOM 830 CG ASP A 53 -7.416 -3.282 -3.912 1.00 2.34 C ATOM 831 OD1 ASP A 53 -6.666 -3.991 -3.246 1.00 3.85 O ATOM 832 OD2 ASP A 53 -8.392 -3.665 -4.534 1.00 2.60 O ATOM 0 H ASP A 53 -6.978 -1.498 -1.304 1.00 1.01 H new ATOM 0 HA ASP A 53 -5.059 -1.727 -3.627 1.00 1.07 H new ATOM 0 HB2 ASP A 53 -8.058 -1.242 -3.562 1.00 1.29 H new ATOM 0 HB3 ASP A 53 -7.056 -1.435 -4.987 1.00 1.29 H new ATOM 837 N PHE A 54 -4.936 0.748 -3.836 1.00 0.95 N ATOM 838 CA PHE A 54 -4.737 2.220 -3.819 1.00 1.00 C ATOM 839 C PHE A 54 -4.393 2.719 -5.216 1.00 1.07 C ATOM 840 O PHE A 54 -4.218 1.933 -6.128 1.00 1.57 O ATOM 841 CB PHE A 54 -3.578 2.554 -2.867 1.00 1.37 C ATOM 842 CG PHE A 54 -2.265 1.951 -3.396 1.00 0.98 C ATOM 843 CD1 PHE A 54 -1.997 0.599 -3.247 1.00 1.54 C ATOM 844 CD2 PHE A 54 -1.335 2.750 -4.043 1.00 1.46 C ATOM 845 CE1 PHE A 54 -0.825 0.059 -3.739 1.00 2.24 C ATOM 846 CE2 PHE A 54 -0.165 2.203 -4.531 1.00 2.17 C ATOM 847 CZ PHE A 54 0.087 0.859 -4.379 1.00 2.49 C ATOM 0 H PHE A 54 -4.325 0.235 -4.472 1.00 0.95 H new ATOM 0 HA PHE A 54 -5.655 2.703 -3.484 1.00 1.00 H new ATOM 0 HB2 PHE A 54 -3.477 3.635 -2.770 1.00 1.37 H new ATOM 0 HB3 PHE A 54 -3.791 2.163 -1.872 1.00 1.37 H new ATOM 0 HD1 PHE A 54 -2.710 -0.036 -2.743 1.00 1.54 H new ATOM 0 HD2 PHE A 54 -1.527 3.806 -4.166 1.00 1.46 H new ATOM 0 HE1 PHE A 54 -0.626 -0.996 -3.620 1.00 2.24 H new ATOM 0 HE2 PHE A 54 0.555 2.832 -5.034 1.00 2.17 H new ATOM 0 HZ PHE A 54 1.002 0.434 -4.763 1.00 2.49 H new ATOM 857 N ARG A 55 -4.301 4.009 -5.346 1.00 1.14 N ATOM 858 CA ARG A 55 -3.946 4.603 -6.662 1.00 1.42 C ATOM 859 C ARG A 55 -2.761 5.536 -6.453 1.00 1.59 C ATOM 860 O ARG A 55 -2.609 6.113 -5.393 1.00 2.08 O ATOM 861 CB ARG A 55 -5.135 5.410 -7.210 1.00 1.91 C ATOM 862 CG ARG A 55 -4.788 5.956 -8.604 1.00 2.92 C ATOM 863 CD ARG A 55 -5.859 6.946 -9.057 1.00 3.58 C ATOM 864 NE ARG A 55 -5.443 7.528 -10.370 1.00 4.67 N ATOM 865 CZ ARG A 55 -6.143 7.295 -11.434 1.00 5.91 C ATOM 866 NH1 ARG A 55 -6.336 6.062 -11.794 1.00 6.82 N ATOM 867 NH2 ARG A 55 -6.600 8.307 -12.108 1.00 6.72 N ATOM 0 H ARG A 55 -4.457 4.681 -4.595 1.00 1.14 H new ATOM 0 HA ARG A 55 -3.697 3.815 -7.373 1.00 1.42 H new ATOM 0 HB2 ARG A 55 -6.021 4.778 -7.266 1.00 1.91 H new ATOM 0 HB3 ARG A 55 -5.372 6.232 -6.535 1.00 1.91 H new ATOM 0 HG2 ARG A 55 -3.815 6.446 -8.580 1.00 2.92 H new ATOM 0 HG3 ARG A 55 -4.714 5.135 -9.317 1.00 2.92 H new ATOM 0 HD2 ARG A 55 -6.822 6.444 -9.153 1.00 3.58 H new ATOM 0 HD3 ARG A 55 -5.983 7.735 -8.315 1.00 3.58 H new ATOM 0 HE ARG A 55 -4.607 8.109 -10.428 1.00 4.67 H new ATOM 0 HH11 ARG A 55 -5.939 5.301 -11.242 1.00 6.82 H new ATOM 0 HH12 ARG A 55 -6.884 5.854 -12.629 1.00 6.82 H new ATOM 0 HH21 ARG A 55 -6.405 9.258 -11.795 1.00 6.72 H new ATOM 0 HH22 ARG A 55 -7.154 8.151 -12.950 1.00 6.72 H new ATOM 881 N VAL A 56 -1.956 5.658 -7.466 1.00 1.95 N ATOM 882 CA VAL A 56 -0.781 6.551 -7.398 1.00 2.56 C ATOM 883 C VAL A 56 -0.980 7.720 -8.369 1.00 1.97 C ATOM 884 O VAL A 56 -1.903 7.715 -9.164 1.00 2.17 O ATOM 885 CB VAL A 56 0.463 5.732 -7.778 1.00 3.76 C ATOM 886 CG1 VAL A 56 0.804 4.778 -6.637 1.00 4.87 C ATOM 887 CG2 VAL A 56 0.210 4.890 -9.031 1.00 4.13 C ATOM 0 H VAL A 56 -2.068 5.166 -8.352 1.00 1.95 H new ATOM 0 HA VAL A 56 -0.656 6.957 -6.394 1.00 2.56 H new ATOM 0 HB VAL A 56 1.278 6.429 -7.970 1.00 3.76 H new ATOM 0 HG11 VAL A 56 1.686 4.195 -6.902 1.00 4.87 H new ATOM 0 HG12 VAL A 56 1.006 5.351 -5.732 1.00 4.87 H new ATOM 0 HG13 VAL A 56 -0.036 4.106 -6.461 1.00 4.87 H new ATOM 0 HG21 VAL A 56 1.108 4.322 -9.275 1.00 4.13 H new ATOM 0 HG22 VAL A 56 -0.616 4.203 -8.847 1.00 4.13 H new ATOM 0 HG23 VAL A 56 -0.043 5.545 -9.865 1.00 4.13 H new ATOM 897 N LYS A 57 -0.090 8.677 -8.299 1.00 2.05 N ATOM 898 CA LYS A 57 -0.194 9.866 -9.195 1.00 1.77 C ATOM 899 C LYS A 57 0.614 9.584 -10.473 1.00 1.55 C ATOM 900 O LYS A 57 0.299 8.648 -11.193 1.00 2.33 O ATOM 901 CB LYS A 57 0.342 11.090 -8.414 1.00 2.48 C ATOM 902 CG LYS A 57 0.126 12.394 -9.207 1.00 3.59 C ATOM 903 CD LYS A 57 -0.227 13.549 -8.251 1.00 4.03 C ATOM 904 CE LYS A 57 0.909 13.821 -7.250 1.00 4.52 C ATOM 905 NZ LYS A 57 2.135 14.330 -7.938 1.00 5.26 N ATOM 0 H LYS A 57 0.704 8.685 -7.659 1.00 2.05 H new ATOM 0 HA LYS A 57 -1.222 10.073 -9.494 1.00 1.77 H new ATOM 0 HB2 LYS A 57 -0.162 11.159 -7.450 1.00 2.48 H new ATOM 0 HB3 LYS A 57 1.404 10.957 -8.209 1.00 2.48 H new ATOM 0 HG2 LYS A 57 1.028 12.640 -9.768 1.00 3.59 H new ATOM 0 HG3 LYS A 57 -0.674 12.257 -9.934 1.00 3.59 H new ATOM 0 HD2 LYS A 57 -0.428 14.451 -8.828 1.00 4.03 H new ATOM 0 HD3 LYS A 57 -1.141 13.307 -7.709 1.00 4.03 H new ATOM 0 HE2 LYS A 57 0.577 14.549 -6.510 1.00 4.52 H new ATOM 0 HE3 LYS A 57 1.147 12.904 -6.710 1.00 4.52 H new ATOM 0 HZ1 LYS A 57 2.966 13.801 -7.604 1.00 5.26 H new ATOM 0 HZ2 LYS A 57 2.034 14.203 -8.965 1.00 5.26 H new ATOM 0 HZ3 LYS A 57 2.259 15.340 -7.724 1.00 5.26 H new ATOM 919 N ALA A 58 1.630 10.363 -10.733 1.00 1.78 N ATOM 920 CA ALA A 58 2.449 10.134 -11.965 1.00 1.70 C ATOM 921 C ALA A 58 3.916 9.991 -11.571 1.00 2.00 C ATOM 922 O ALA A 58 4.519 8.950 -11.751 1.00 2.68 O ATOM 923 CB ALA A 58 2.266 11.320 -12.915 1.00 2.18 C ATOM 0 H ALA A 58 1.929 11.145 -10.150 1.00 1.78 H new ATOM 0 HA ALA A 58 2.127 9.222 -12.468 1.00 1.70 H new ATOM 0 HB1 ALA A 58 2.860 11.160 -13.815 1.00 2.18 H new ATOM 0 HB2 ALA A 58 1.214 11.410 -13.186 1.00 2.18 H new ATOM 0 HB3 ALA A 58 2.594 12.235 -12.422 1.00 2.18 H new ATOM 929 N GLU A 59 4.454 11.044 -11.024 1.00 2.38 N ATOM 930 CA GLU A 59 5.878 10.991 -10.591 1.00 3.02 C ATOM 931 C GLU A 59 5.950 10.159 -9.308 1.00 2.32 C ATOM 932 O GLU A 59 6.855 9.350 -9.129 1.00 3.03 O ATOM 933 CB GLU A 59 6.432 12.420 -10.370 1.00 4.10 C ATOM 934 CG GLU A 59 5.458 13.331 -9.587 1.00 4.18 C ATOM 935 CD GLU A 59 4.323 13.828 -10.496 1.00 4.64 C ATOM 936 OE1 GLU A 59 4.643 14.506 -11.454 1.00 5.74 O ATOM 937 OE2 GLU A 59 3.192 13.484 -10.181 1.00 4.53 O ATOM 0 H GLU A 59 3.976 11.930 -10.859 1.00 2.38 H new ATOM 0 HA GLU A 59 6.494 10.528 -11.362 1.00 3.02 H new ATOM 0 HB2 GLU A 59 7.377 12.358 -9.830 1.00 4.10 H new ATOM 0 HB3 GLU A 59 6.647 12.874 -11.337 1.00 4.10 H new ATOM 0 HG2 GLU A 59 5.040 12.783 -8.743 1.00 4.18 H new ATOM 0 HG3 GLU A 59 6.000 14.183 -9.177 1.00 4.18 H new ATOM 944 N ASP A 60 4.983 10.384 -8.446 1.00 1.62 N ATOM 945 CA ASP A 60 4.904 9.628 -7.158 1.00 1.86 C ATOM 946 C ASP A 60 5.063 8.145 -7.442 1.00 1.54 C ATOM 947 O ASP A 60 5.757 7.451 -6.729 1.00 1.92 O ATOM 948 CB ASP A 60 3.537 9.834 -6.485 1.00 2.80 C ATOM 949 CG ASP A 60 3.263 11.315 -6.222 1.00 3.73 C ATOM 950 OD1 ASP A 60 3.423 12.068 -7.164 1.00 4.65 O ATOM 951 OD2 ASP A 60 2.854 11.617 -5.112 1.00 4.54 O ATOM 0 H ASP A 60 4.239 11.067 -8.585 1.00 1.62 H new ATOM 0 HA ASP A 60 5.693 9.992 -6.500 1.00 1.86 H new ATOM 0 HB2 ASP A 60 2.752 9.424 -7.120 1.00 2.80 H new ATOM 0 HB3 ASP A 60 3.506 9.284 -5.544 1.00 2.80 H new ATOM 956 N ILE A 61 4.352 7.701 -8.457 1.00 1.18 N ATOM 957 CA ILE A 61 4.401 6.266 -8.869 1.00 1.06 C ATOM 958 C ILE A 61 5.760 5.668 -8.520 1.00 0.96 C ATOM 959 O ILE A 61 5.843 4.736 -7.756 1.00 1.52 O ATOM 960 CB ILE A 61 4.154 6.172 -10.386 1.00 1.16 C ATOM 961 CG1 ILE A 61 2.773 6.777 -10.704 1.00 1.65 C ATOM 962 CG2 ILE A 61 4.194 4.695 -10.818 1.00 1.58 C ATOM 963 CD1 ILE A 61 2.483 6.663 -12.202 1.00 2.44 C ATOM 0 H ILE A 61 3.734 8.284 -9.021 1.00 1.18 H new ATOM 0 HA ILE A 61 3.631 5.706 -8.339 1.00 1.06 H new ATOM 0 HB ILE A 61 4.925 6.721 -10.927 1.00 1.16 H new ATOM 0 HG12 ILE A 61 2.001 6.259 -10.135 1.00 1.65 H new ATOM 0 HG13 ILE A 61 2.746 7.823 -10.399 1.00 1.65 H new ATOM 0 HG21 ILE A 61 4.019 4.625 -11.892 1.00 1.58 H new ATOM 0 HG22 ILE A 61 5.171 4.273 -10.581 1.00 1.58 H new ATOM 0 HG23 ILE A 61 3.420 4.140 -10.288 1.00 1.58 H new ATOM 0 HD11 ILE A 61 1.505 7.093 -12.417 1.00 2.44 H new ATOM 0 HD12 ILE A 61 3.247 7.201 -12.763 1.00 2.44 H new ATOM 0 HD13 ILE A 61 2.490 5.613 -12.495 1.00 2.44 H new ATOM 975 N LEU A 62 6.789 6.252 -9.063 1.00 0.97 N ATOM 976 CA LEU A 62 8.163 5.745 -8.786 1.00 1.00 C ATOM 977 C LEU A 62 8.363 5.421 -7.300 1.00 0.93 C ATOM 978 O LEU A 62 8.696 4.308 -6.966 1.00 1.11 O ATOM 979 CB LEU A 62 9.176 6.812 -9.213 1.00 1.29 C ATOM 980 CG LEU A 62 10.614 6.323 -8.961 1.00 2.41 C ATOM 981 CD1 LEU A 62 11.008 5.279 -10.015 1.00 2.88 C ATOM 982 CD2 LEU A 62 11.571 7.516 -9.033 1.00 3.51 C ATOM 0 H LEU A 62 6.740 7.058 -9.686 1.00 0.97 H new ATOM 0 HA LEU A 62 8.308 4.823 -9.349 1.00 1.00 H new ATOM 0 HB2 LEU A 62 9.045 7.044 -10.270 1.00 1.29 H new ATOM 0 HB3 LEU A 62 8.997 7.734 -8.660 1.00 1.29 H new ATOM 0 HG LEU A 62 10.672 5.865 -7.974 1.00 2.41 H new ATOM 0 HD11 LEU A 62 12.027 4.940 -9.828 1.00 2.88 H new ATOM 0 HD12 LEU A 62 10.327 4.430 -9.959 1.00 2.88 H new ATOM 0 HD13 LEU A 62 10.951 5.725 -11.008 1.00 2.88 H new ATOM 0 HD21 LEU A 62 12.591 7.175 -8.855 1.00 3.51 H new ATOM 0 HD22 LEU A 62 11.508 7.974 -10.020 1.00 3.51 H new ATOM 0 HD23 LEU A 62 11.296 8.249 -8.275 1.00 3.51 H new ATOM 994 N ALA A 63 8.106 6.388 -6.447 1.00 0.99 N ATOM 995 CA ALA A 63 8.314 6.165 -4.982 1.00 1.03 C ATOM 996 C ALA A 63 7.283 5.213 -4.384 1.00 0.97 C ATOM 997 O ALA A 63 7.595 4.487 -3.456 1.00 1.13 O ATOM 998 CB ALA A 63 8.234 7.507 -4.248 1.00 1.27 C ATOM 0 H ALA A 63 7.764 7.314 -6.702 1.00 0.99 H new ATOM 0 HA ALA A 63 9.297 5.710 -4.860 1.00 1.03 H new ATOM 0 HB1 ALA A 63 8.385 7.347 -3.180 1.00 1.27 H new ATOM 0 HB2 ALA A 63 9.006 8.176 -4.628 1.00 1.27 H new ATOM 0 HB3 ALA A 63 7.254 7.954 -4.413 1.00 1.27 H new ATOM 1004 N VAL A 64 6.081 5.219 -4.909 1.00 0.99 N ATOM 1005 CA VAL A 64 5.048 4.298 -4.327 1.00 0.99 C ATOM 1006 C VAL A 64 5.345 2.878 -4.781 1.00 0.93 C ATOM 1007 O VAL A 64 5.078 1.936 -4.051 1.00 1.17 O ATOM 1008 CB VAL A 64 3.633 4.708 -4.775 1.00 1.07 C ATOM 1009 CG1 VAL A 64 2.608 4.058 -3.832 1.00 1.38 C ATOM 1010 CG2 VAL A 64 3.486 6.234 -4.717 1.00 1.29 C ATOM 0 H VAL A 64 5.775 5.800 -5.689 1.00 0.99 H new ATOM 0 HA VAL A 64 5.088 4.359 -3.239 1.00 0.99 H new ATOM 0 HB VAL A 64 3.463 4.376 -5.799 1.00 1.07 H new ATOM 0 HG11 VAL A 64 1.601 4.341 -4.139 1.00 1.38 H new ATOM 0 HG12 VAL A 64 2.710 2.974 -3.876 1.00 1.38 H new ATOM 0 HG13 VAL A 64 2.785 4.398 -2.812 1.00 1.38 H new ATOM 0 HG21 VAL A 64 2.482 6.515 -5.036 1.00 1.29 H new ATOM 0 HG22 VAL A 64 3.652 6.577 -3.696 1.00 1.29 H new ATOM 0 HG23 VAL A 64 4.219 6.696 -5.378 1.00 1.29 H new ATOM 1020 N GLU A 65 5.865 2.757 -5.975 1.00 0.77 N ATOM 1021 CA GLU A 65 6.225 1.409 -6.471 1.00 0.82 C ATOM 1022 C GLU A 65 7.441 1.032 -5.616 1.00 0.90 C ATOM 1023 O GLU A 65 7.382 0.120 -4.815 1.00 1.25 O ATOM 1024 CB GLU A 65 6.615 1.444 -7.970 1.00 0.86 C ATOM 1025 CG GLU A 65 5.403 1.746 -8.900 1.00 1.15 C ATOM 1026 CD GLU A 65 5.747 1.387 -10.369 1.00 1.61 C ATOM 1027 OE1 GLU A 65 6.686 0.622 -10.534 1.00 2.72 O ATOM 1028 OE2 GLU A 65 5.042 1.866 -11.264 1.00 2.28 O ATOM 0 H GLU A 65 6.052 3.528 -6.617 1.00 0.77 H new ATOM 0 HA GLU A 65 5.400 0.701 -6.394 1.00 0.82 H new ATOM 0 HB2 GLU A 65 7.383 2.202 -8.124 1.00 0.86 H new ATOM 0 HB3 GLU A 65 7.052 0.486 -8.250 1.00 0.86 H new ATOM 0 HG2 GLU A 65 4.534 1.175 -8.573 1.00 1.15 H new ATOM 0 HG3 GLU A 65 5.136 2.800 -8.829 1.00 1.15 H new ATOM 1035 N ASP A 66 8.486 1.818 -5.763 1.00 0.73 N ATOM 1036 CA ASP A 66 9.752 1.611 -4.978 1.00 0.83 C ATOM 1037 C ASP A 66 9.443 1.072 -3.576 1.00 0.78 C ATOM 1038 O ASP A 66 9.860 -0.011 -3.234 1.00 0.81 O ATOM 1039 CB ASP A 66 10.461 2.975 -4.882 1.00 0.94 C ATOM 1040 CG ASP A 66 11.567 2.973 -3.827 1.00 1.63 C ATOM 1041 OD1 ASP A 66 12.391 2.080 -3.901 1.00 1.87 O ATOM 1042 OD2 ASP A 66 11.510 3.849 -2.981 1.00 2.90 O ATOM 0 H ASP A 66 8.515 2.609 -6.406 1.00 0.73 H new ATOM 0 HA ASP A 66 10.388 0.878 -5.474 1.00 0.83 H new ATOM 0 HB2 ASP A 66 10.886 3.232 -5.852 1.00 0.94 H new ATOM 0 HB3 ASP A 66 9.731 3.747 -4.640 1.00 0.94 H new ATOM 1047 N PHE A 67 8.747 1.863 -2.796 1.00 0.74 N ATOM 1048 CA PHE A 67 8.371 1.424 -1.409 1.00 0.71 C ATOM 1049 C PHE A 67 7.942 -0.049 -1.389 1.00 0.65 C ATOM 1050 O PHE A 67 8.472 -0.845 -0.633 1.00 0.74 O ATOM 1051 CB PHE A 67 7.219 2.309 -0.903 1.00 0.73 C ATOM 1052 CG PHE A 67 6.884 1.930 0.548 1.00 0.75 C ATOM 1053 CD1 PHE A 67 6.154 0.788 0.819 1.00 0.66 C ATOM 1054 CD2 PHE A 67 7.363 2.682 1.605 1.00 1.13 C ATOM 1055 CE1 PHE A 67 5.920 0.395 2.116 1.00 0.74 C ATOM 1056 CE2 PHE A 67 7.120 2.289 2.908 1.00 1.12 C ATOM 1057 CZ PHE A 67 6.402 1.140 3.159 1.00 0.80 C ATOM 0 H PHE A 67 8.422 2.794 -3.057 1.00 0.74 H new ATOM 0 HA PHE A 67 9.240 1.527 -0.760 1.00 0.71 H new ATOM 0 HB2 PHE A 67 7.501 3.360 -0.960 1.00 0.73 H new ATOM 0 HB3 PHE A 67 6.341 2.180 -1.536 1.00 0.73 H new ATOM 0 HD1 PHE A 67 5.763 0.198 0.003 1.00 0.66 H new ATOM 0 HD2 PHE A 67 7.930 3.581 1.412 1.00 1.13 H new ATOM 0 HE1 PHE A 67 5.354 -0.504 2.313 1.00 0.74 H new ATOM 0 HE2 PHE A 67 7.493 2.883 3.729 1.00 1.12 H new ATOM 0 HZ PHE A 67 6.220 0.828 4.177 1.00 0.80 H new ATOM 1067 N LEU A 68 6.974 -0.389 -2.204 1.00 0.65 N ATOM 1068 CA LEU A 68 6.519 -1.821 -2.220 1.00 0.68 C ATOM 1069 C LEU A 68 7.637 -2.737 -2.739 1.00 0.73 C ATOM 1070 O LEU A 68 7.987 -3.721 -2.095 1.00 1.11 O ATOM 1071 CB LEU A 68 5.299 -1.973 -3.142 1.00 0.79 C ATOM 1072 CG LEU A 68 4.097 -1.187 -2.591 1.00 0.95 C ATOM 1073 CD1 LEU A 68 3.148 -0.860 -3.744 1.00 0.99 C ATOM 1074 CD2 LEU A 68 3.335 -2.039 -1.560 1.00 1.11 C ATOM 0 H LEU A 68 6.488 0.240 -2.844 1.00 0.65 H new ATOM 0 HA LEU A 68 6.258 -2.104 -1.200 1.00 0.68 H new ATOM 0 HB2 LEU A 68 5.546 -1.615 -4.142 1.00 0.79 H new ATOM 0 HB3 LEU A 68 5.038 -3.027 -3.236 1.00 0.79 H new ATOM 0 HG LEU A 68 4.456 -0.274 -2.116 1.00 0.95 H new ATOM 0 HD11 LEU A 68 2.292 -0.303 -3.364 1.00 0.99 H new ATOM 0 HD12 LEU A 68 3.672 -0.258 -4.487 1.00 0.99 H new ATOM 0 HD13 LEU A 68 2.803 -1.786 -4.205 1.00 0.99 H new ATOM 0 HD21 LEU A 68 2.486 -1.473 -1.176 1.00 1.11 H new ATOM 0 HD22 LEU A 68 2.977 -2.952 -2.036 1.00 1.11 H new ATOM 0 HD23 LEU A 68 4.001 -2.296 -0.737 1.00 1.11 H new ATOM 1086 N GLU A 69 8.128 -2.409 -3.909 1.00 0.79 N ATOM 1087 CA GLU A 69 9.213 -3.204 -4.561 1.00 0.93 C ATOM 1088 C GLU A 69 10.330 -3.555 -3.562 1.00 0.91 C ATOM 1089 O GLU A 69 10.603 -4.717 -3.297 1.00 1.04 O ATOM 1090 CB GLU A 69 9.777 -2.355 -5.716 1.00 1.16 C ATOM 1091 CG GLU A 69 8.626 -1.871 -6.626 1.00 2.98 C ATOM 1092 CD GLU A 69 8.843 -2.267 -8.087 1.00 2.96 C ATOM 1093 OE1 GLU A 69 9.040 -3.457 -8.298 1.00 2.84 O ATOM 1094 OE2 GLU A 69 8.748 -1.361 -8.912 1.00 4.12 O ATOM 0 H GLU A 69 7.814 -1.604 -4.451 1.00 0.79 H new ATOM 0 HA GLU A 69 8.809 -4.147 -4.931 1.00 0.93 H new ATOM 0 HB2 GLU A 69 10.321 -1.499 -5.317 1.00 1.16 H new ATOM 0 HB3 GLU A 69 10.488 -2.942 -6.297 1.00 1.16 H new ATOM 0 HG2 GLU A 69 7.684 -2.291 -6.273 1.00 2.98 H new ATOM 0 HG3 GLU A 69 8.539 -0.787 -6.554 1.00 2.98 H new ATOM 1101 N GLN A 70 10.926 -2.511 -3.035 1.00 0.90 N ATOM 1102 CA GLN A 70 12.050 -2.638 -2.052 1.00 1.02 C ATOM 1103 C GLN A 70 11.978 -3.898 -1.194 1.00 1.10 C ATOM 1104 O GLN A 70 12.869 -4.720 -1.218 1.00 1.51 O ATOM 1105 CB GLN A 70 12.040 -1.423 -1.103 1.00 1.28 C ATOM 1106 CG GLN A 70 12.637 -0.194 -1.794 1.00 1.56 C ATOM 1107 CD GLN A 70 12.711 0.963 -0.787 1.00 2.50 C ATOM 1108 OE1 GLN A 70 13.382 0.878 0.221 1.00 2.97 O ATOM 1109 NE2 GLN A 70 12.050 2.054 -1.013 1.00 3.18 N ATOM 0 H GLN A 70 10.672 -1.548 -3.253 1.00 0.90 H new ATOM 0 HA GLN A 70 12.963 -2.692 -2.645 1.00 1.02 H new ATOM 0 HB2 GLN A 70 11.019 -1.209 -0.788 1.00 1.28 H new ATOM 0 HB3 GLN A 70 12.610 -1.653 -0.203 1.00 1.28 H new ATOM 0 HG2 GLN A 70 13.632 -0.424 -2.176 1.00 1.56 H new ATOM 0 HG3 GLN A 70 12.025 0.091 -2.650 1.00 1.56 H new ATOM 0 HE21 GLN A 70 11.482 2.141 -1.856 1.00 3.18 H new ATOM 0 HE22 GLN A 70 12.098 2.826 -0.348 1.00 3.18 H new ATOM 1118 N ASN A 71 10.909 -4.012 -0.464 1.00 1.00 N ATOM 1119 CA ASN A 71 10.749 -5.168 0.450 1.00 1.29 C ATOM 1120 C ASN A 71 9.701 -6.137 -0.082 1.00 1.18 C ATOM 1121 O ASN A 71 8.910 -6.627 0.698 1.00 1.27 O ATOM 1122 CB ASN A 71 10.276 -4.633 1.813 1.00 1.53 C ATOM 1123 CG ASN A 71 10.771 -3.204 2.033 1.00 1.86 C ATOM 1124 OD1 ASN A 71 11.870 -2.985 2.497 1.00 3.04 O ATOM 1125 ND2 ASN A 71 10.013 -2.197 1.669 1.00 1.59 N ATOM 0 H ASN A 71 10.134 -3.349 -0.462 1.00 1.00 H new ATOM 0 HA ASN A 71 11.700 -5.694 0.536 1.00 1.29 H new ATOM 0 HB2 ASN A 71 9.187 -4.658 1.861 1.00 1.53 H new ATOM 0 HB3 ASN A 71 10.645 -5.278 2.610 1.00 1.53 H new ATOM 0 HD21 ASN A 71 10.349 -1.240 1.777 1.00 1.59 H new ATOM 0 HD22 ASN A 71 9.087 -2.371 1.278 1.00 1.59 H new ATOM 1132 N GLU A 72 9.742 -6.421 -1.365 1.00 1.25 N ATOM 1133 CA GLU A 72 8.742 -7.356 -1.984 1.00 1.25 C ATOM 1134 C GLU A 72 7.435 -7.342 -1.168 1.00 1.08 C ATOM 1135 O GLU A 72 6.917 -8.365 -0.738 1.00 1.42 O ATOM 1136 CB GLU A 72 9.338 -8.771 -2.010 1.00 1.56 C ATOM 1137 CG GLU A 72 8.590 -9.627 -3.041 1.00 2.89 C ATOM 1138 CD GLU A 72 8.982 -11.099 -2.865 1.00 3.58 C ATOM 1139 OE1 GLU A 72 10.164 -11.380 -3.012 1.00 4.08 O ATOM 1140 OE2 GLU A 72 8.072 -11.859 -2.585 1.00 4.41 O ATOM 0 H GLU A 72 10.431 -6.042 -2.015 1.00 1.25 H new ATOM 0 HA GLU A 72 8.516 -7.037 -3.001 1.00 1.25 H new ATOM 0 HB2 GLU A 72 10.398 -8.725 -2.261 1.00 1.56 H new ATOM 0 HB3 GLU A 72 9.263 -9.226 -1.022 1.00 1.56 H new ATOM 0 HG2 GLU A 72 7.514 -9.509 -2.915 1.00 2.89 H new ATOM 0 HG3 GLU A 72 8.832 -9.293 -4.050 1.00 2.89 H new ATOM 1147 N LEU A 73 6.939 -6.157 -0.956 1.00 0.85 N ATOM 1148 CA LEU A 73 5.701 -6.010 -0.176 1.00 0.83 C ATOM 1149 C LEU A 73 4.530 -6.390 -1.068 1.00 0.97 C ATOM 1150 O LEU A 73 3.911 -5.544 -1.694 1.00 1.92 O ATOM 1151 CB LEU A 73 5.585 -4.562 0.313 1.00 0.99 C ATOM 1152 CG LEU A 73 4.805 -4.547 1.636 1.00 1.02 C ATOM 1153 CD1 LEU A 73 5.678 -5.104 2.769 1.00 2.02 C ATOM 1154 CD2 LEU A 73 4.410 -3.109 1.991 1.00 1.55 C ATOM 0 H LEU A 73 7.346 -5.285 -1.295 1.00 0.85 H new ATOM 0 HA LEU A 73 5.705 -6.661 0.698 1.00 0.83 H new ATOM 0 HB2 LEU A 73 6.576 -4.131 0.454 1.00 0.99 H new ATOM 0 HB3 LEU A 73 5.075 -3.952 -0.432 1.00 0.99 H new ATOM 0 HG LEU A 73 3.913 -5.163 1.518 1.00 1.02 H new ATOM 0 HD11 LEU A 73 5.116 -5.089 3.703 1.00 2.02 H new ATOM 0 HD12 LEU A 73 5.967 -6.129 2.536 1.00 2.02 H new ATOM 0 HD13 LEU A 73 6.573 -4.490 2.874 1.00 2.02 H new ATOM 0 HD21 LEU A 73 3.857 -3.105 2.930 1.00 1.55 H new ATOM 0 HD22 LEU A 73 5.308 -2.500 2.096 1.00 1.55 H new ATOM 0 HD23 LEU A 73 3.784 -2.698 1.199 1.00 1.55 H new ATOM 1166 N GLN A 74 4.387 -7.687 -1.161 1.00 0.82 N ATOM 1167 CA GLN A 74 3.321 -8.371 -1.953 1.00 0.84 C ATOM 1168 C GLN A 74 2.365 -7.408 -2.671 1.00 0.85 C ATOM 1169 O GLN A 74 1.357 -7.015 -2.122 1.00 1.14 O ATOM 1170 CB GLN A 74 2.533 -9.285 -0.991 1.00 1.00 C ATOM 1171 CG GLN A 74 3.527 -10.052 -0.093 1.00 1.55 C ATOM 1172 CD GLN A 74 2.861 -11.245 0.605 1.00 2.55 C ATOM 1173 OE1 GLN A 74 3.522 -12.019 1.273 1.00 3.61 O ATOM 1174 NE2 GLN A 74 1.584 -11.456 0.471 1.00 3.71 N ATOM 0 H GLN A 74 5.010 -8.340 -0.686 1.00 0.82 H new ATOM 0 HA GLN A 74 3.806 -8.941 -2.746 1.00 0.84 H new ATOM 0 HB2 GLN A 74 1.855 -8.690 -0.379 1.00 1.00 H new ATOM 0 HB3 GLN A 74 1.920 -9.986 -1.557 1.00 1.00 H new ATOM 0 HG2 GLN A 74 4.364 -10.405 -0.696 1.00 1.55 H new ATOM 0 HG3 GLN A 74 3.937 -9.375 0.656 1.00 1.55 H new ATOM 0 HE21 GLN A 74 1.017 -10.816 -0.086 1.00 3.71 H new ATOM 0 HE22 GLN A 74 1.150 -12.261 0.923 1.00 3.71 H new ATOM 1183 N TYR A 75 2.714 -7.027 -3.877 1.00 0.93 N ATOM 1184 CA TYR A 75 1.826 -6.114 -4.657 1.00 0.97 C ATOM 1185 C TYR A 75 1.417 -6.829 -5.942 1.00 0.98 C ATOM 1186 O TYR A 75 2.229 -7.506 -6.564 1.00 1.04 O ATOM 1187 CB TYR A 75 2.543 -4.787 -4.978 1.00 1.10 C ATOM 1188 CG TYR A 75 3.975 -5.013 -5.494 1.00 1.16 C ATOM 1189 CD1 TYR A 75 4.944 -5.525 -4.657 1.00 1.13 C ATOM 1190 CD2 TYR A 75 4.337 -4.659 -6.782 1.00 1.53 C ATOM 1191 CE1 TYR A 75 6.237 -5.677 -5.087 1.00 1.42 C ATOM 1192 CE2 TYR A 75 5.644 -4.809 -7.212 1.00 1.77 C ATOM 1193 CZ TYR A 75 6.599 -5.326 -6.360 1.00 1.71 C ATOM 1194 OH TYR A 75 7.896 -5.525 -6.765 1.00 2.13 O ATOM 0 H TYR A 75 3.572 -7.309 -4.351 1.00 0.93 H new ATOM 0 HA TYR A 75 0.942 -5.869 -4.068 1.00 0.97 H new ATOM 0 HB2 TYR A 75 1.971 -4.238 -5.726 1.00 1.10 H new ATOM 0 HB3 TYR A 75 2.575 -4.167 -4.082 1.00 1.10 H new ATOM 0 HD1 TYR A 75 4.681 -5.810 -3.649 1.00 1.13 H new ATOM 0 HD2 TYR A 75 3.593 -4.262 -7.457 1.00 1.53 H new ATOM 0 HE1 TYR A 75 6.979 -6.079 -4.413 1.00 1.42 H new ATOM 0 HE2 TYR A 75 5.917 -4.521 -8.216 1.00 1.77 H new ATOM 0 HH TYR A 75 8.203 -4.746 -7.275 1.00 2.13 H new ATOM 1204 N GLU A 76 0.176 -6.643 -6.317 1.00 1.10 N ATOM 1205 CA GLU A 76 -0.357 -7.306 -7.538 1.00 1.32 C ATOM 1206 C GLU A 76 -0.809 -6.253 -8.561 1.00 1.36 C ATOM 1207 O GLU A 76 -1.639 -5.410 -8.252 1.00 1.61 O ATOM 1208 CB GLU A 76 -1.555 -8.180 -7.120 1.00 1.46 C ATOM 1209 CG GLU A 76 -1.193 -9.028 -5.877 1.00 2.55 C ATOM 1210 CD GLU A 76 -1.316 -8.222 -4.566 1.00 3.87 C ATOM 1211 OE1 GLU A 76 -2.180 -7.356 -4.512 1.00 4.33 O ATOM 1212 OE2 GLU A 76 -0.568 -8.550 -3.660 1.00 5.18 O ATOM 0 H GLU A 76 -0.494 -6.054 -5.822 1.00 1.10 H new ATOM 0 HA GLU A 76 0.418 -7.918 -8.000 1.00 1.32 H new ATOM 0 HB2 GLU A 76 -2.415 -7.548 -6.900 1.00 1.46 H new ATOM 0 HB3 GLU A 76 -1.842 -8.834 -7.944 1.00 1.46 H new ATOM 0 HG2 GLU A 76 -1.848 -9.898 -5.829 1.00 2.55 H new ATOM 0 HG3 GLU A 76 -0.174 -9.401 -5.978 1.00 2.55 H new ATOM 1219 N VAL A 77 -0.251 -6.312 -9.749 1.00 1.42 N ATOM 1220 CA VAL A 77 -0.622 -5.335 -10.829 1.00 1.61 C ATOM 1221 C VAL A 77 -0.834 -6.106 -12.139 1.00 2.36 C ATOM 1222 O VAL A 77 -0.044 -6.985 -12.448 1.00 3.23 O ATOM 1223 CB VAL A 77 0.526 -4.324 -11.029 1.00 1.74 C ATOM 1224 CG1 VAL A 77 0.109 -3.232 -12.028 1.00 1.87 C ATOM 1225 CG2 VAL A 77 0.884 -3.660 -9.693 1.00 2.26 C ATOM 0 H VAL A 77 0.451 -7.000 -10.020 1.00 1.42 H new ATOM 0 HA VAL A 77 -1.532 -4.805 -10.547 1.00 1.61 H new ATOM 0 HB VAL A 77 1.390 -4.863 -11.417 1.00 1.74 H new ATOM 0 HG11 VAL A 77 0.929 -2.526 -12.159 1.00 1.87 H new ATOM 0 HG12 VAL A 77 -0.132 -3.690 -12.987 1.00 1.87 H new ATOM 0 HG13 VAL A 77 -0.766 -2.705 -11.647 1.00 1.87 H new ATOM 0 HG21 VAL A 77 1.695 -2.948 -9.846 1.00 2.26 H new ATOM 0 HG22 VAL A 77 0.012 -3.137 -9.301 1.00 2.26 H new ATOM 0 HG23 VAL A 77 1.200 -4.422 -8.981 1.00 2.26 H new ATOM 1235 N LEU A 78 -1.871 -5.766 -12.879 1.00 2.71 N ATOM 1236 CA LEU A 78 -2.131 -6.467 -14.181 1.00 3.72 C ATOM 1237 C LEU A 78 -2.044 -5.460 -15.346 1.00 3.75 C ATOM 1238 O LEU A 78 -1.093 -4.714 -15.434 1.00 4.73 O ATOM 1239 CB LEU A 78 -3.523 -7.126 -14.144 1.00 4.25 C ATOM 1240 CG LEU A 78 -3.594 -8.139 -12.988 1.00 4.99 C ATOM 1241 CD1 LEU A 78 -4.564 -7.619 -11.921 1.00 4.91 C ATOM 1242 CD2 LEU A 78 -4.082 -9.499 -13.512 1.00 5.96 C ATOM 0 H LEU A 78 -2.543 -5.038 -12.638 1.00 2.71 H new ATOM 0 HA LEU A 78 -1.378 -7.240 -14.333 1.00 3.72 H new ATOM 0 HB2 LEU A 78 -4.292 -6.364 -14.019 1.00 4.25 H new ATOM 0 HB3 LEU A 78 -3.723 -7.628 -15.091 1.00 4.25 H new ATOM 0 HG LEU A 78 -2.602 -8.263 -12.553 1.00 4.99 H new ATOM 0 HD11 LEU A 78 -4.618 -8.333 -11.099 1.00 4.91 H new ATOM 0 HD12 LEU A 78 -4.210 -6.659 -11.545 1.00 4.91 H new ATOM 0 HD13 LEU A 78 -5.554 -7.494 -12.359 1.00 4.91 H new ATOM 0 HD21 LEU A 78 -4.130 -10.211 -12.688 1.00 5.96 H new ATOM 0 HD22 LEU A 78 -5.073 -9.385 -13.951 1.00 5.96 H new ATOM 0 HD23 LEU A 78 -3.390 -9.867 -14.269 1.00 5.96 H new ATOM 1254 N ILE A 79 -3.037 -5.444 -16.204 1.00 3.72 N ATOM 1255 CA ILE A 79 -3.015 -4.506 -17.372 1.00 4.23 C ATOM 1256 C ILE A 79 -4.221 -3.547 -17.327 1.00 5.17 C ATOM 1257 O ILE A 79 -5.045 -3.587 -18.213 1.00 6.26 O ATOM 1258 CB ILE A 79 -3.060 -5.346 -18.668 1.00 5.28 C ATOM 1259 CG1 ILE A 79 -1.967 -6.430 -18.605 1.00 6.25 C ATOM 1260 CG2 ILE A 79 -2.810 -4.436 -19.885 1.00 5.93 C ATOM 1261 CD1 ILE A 79 -2.064 -7.355 -19.827 1.00 7.83 C ATOM 0 H ILE A 79 -3.862 -6.041 -16.146 1.00 3.72 H new ATOM 0 HA ILE A 79 -2.107 -3.904 -17.339 1.00 4.23 H new ATOM 0 HB ILE A 79 -4.039 -5.815 -18.765 1.00 5.28 H new ATOM 0 HG12 ILE A 79 -0.983 -5.963 -18.571 1.00 6.25 H new ATOM 0 HG13 ILE A 79 -2.075 -7.012 -17.690 1.00 6.25 H new ATOM 0 HG21 ILE A 79 -2.842 -5.032 -20.797 1.00 5.93 H new ATOM 0 HG22 ILE A 79 -3.580 -3.665 -19.927 1.00 5.93 H new ATOM 0 HG23 ILE A 79 -1.831 -3.966 -19.793 1.00 5.93 H new ATOM 0 HD11 ILE A 79 -1.286 -8.116 -19.770 1.00 7.83 H new ATOM 0 HD12 ILE A 79 -3.042 -7.836 -19.842 1.00 7.83 H new ATOM 0 HD13 ILE A 79 -1.933 -6.770 -20.737 1.00 7.83 H new ATOM 1273 N ASN A 80 -4.273 -2.709 -16.310 1.00 5.60 N ATOM 1274 CA ASN A 80 -5.392 -1.697 -16.134 1.00 7.41 C ATOM 1275 C ASN A 80 -5.621 -1.471 -14.640 1.00 8.08 C ATOM 1276 O ASN A 80 -5.847 -0.350 -14.229 1.00 9.40 O ATOM 1277 CB ASN A 80 -6.736 -2.147 -16.756 1.00 8.53 C ATOM 1278 CG ASN A 80 -7.818 -1.059 -16.622 1.00 10.41 C ATOM 1279 OD1 ASN A 80 -8.957 -1.283 -16.964 1.00 11.11 O ATOM 1280 ND2 ASN A 80 -7.536 0.130 -16.161 1.00 11.65 N ATOM 0 H ASN A 80 -3.570 -2.679 -15.572 1.00 5.60 H new ATOM 0 HA ASN A 80 -5.076 -0.790 -16.650 1.00 7.41 H new ATOM 0 HB2 ASN A 80 -6.588 -2.385 -17.809 1.00 8.53 H new ATOM 0 HB3 ASN A 80 -7.076 -3.060 -16.267 1.00 8.53 H new ATOM 0 HD21 ASN A 80 -8.267 0.839 -16.097 1.00 11.65 H new ATOM 0 HD22 ASN A 80 -6.585 0.350 -15.865 1.00 11.65 H new ATOM 1287 N ASN A 81 -5.573 -2.532 -13.869 1.00 7.70 N ATOM 1288 CA ASN A 81 -5.772 -2.403 -12.390 1.00 9.07 C ATOM 1289 C ASN A 81 -4.769 -3.280 -11.613 1.00 9.24 C ATOM 1290 O ASN A 81 -4.285 -2.784 -10.618 1.00 10.06 O ATOM 1291 CB ASN A 81 -7.229 -2.758 -11.998 1.00 9.91 C ATOM 1292 CG ASN A 81 -7.684 -4.157 -12.448 1.00 10.05 C ATOM 1293 OD1 ASN A 81 -8.797 -4.554 -12.183 1.00 10.90 O ATOM 1294 ND2 ASN A 81 -6.887 -4.946 -13.100 1.00 9.77 N ATOM 1295 OXT ASN A 81 -4.539 -4.421 -12.070 1.00 9.03 O ATOM 0 H ASN A 81 -5.405 -3.482 -14.200 1.00 7.70 H new ATOM 0 HA ASN A 81 -5.588 -1.364 -12.119 1.00 9.07 H new ATOM 0 HB2 ASN A 81 -7.329 -2.688 -10.915 1.00 9.91 H new ATOM 0 HB3 ASN A 81 -7.900 -2.015 -12.429 1.00 9.91 H new ATOM 0 HD21 ASN A 81 -7.203 -5.875 -13.376 1.00 9.77 H new ATOM 0 HD22 ASN A 81 -5.944 -4.637 -13.336 1.00 9.77 H new TER 1302 ASN A 81