USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 762 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 Single : A 8 HIS : no HD1:sc= -1.94! C(o=-1.9!,f=-1.6!) USER MOD Single : A 10 HIS : no HE2:sc= -0.1 K(o=-0.1,f=-1.3) USER MOD Single : A 12 GLN : amide:sc= -0.0685 K(o=-0.068,f=-0.84) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0.724 K(o=0.72,f=-0.67) USER MOD Single : A 23 THR OG1 : rot 73:sc= 1.1 USER MOD Single : A 24 HIS : no HD1:sc= -0.223 X(o=-0.22,f=-0.63) USER MOD Single : A 27 ASN : amide:sc= -0.122 K(o=-0.12,f=-0.86) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.443 X(o=-0.44,f=-0.023) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 1.26 K(o=1.3,f=-0.096) USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= -0.0294 (180deg=-0.22) USER MOD Single : A 38 ASN : amide:sc= -1.39 K(o=-1.4,f=-3.4) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 90:sc= -2.72 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0083 X(o=-0.0083,f=-0.3) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -143:sc= -0.56 (180deg=-1.26) USER MOD Single : A 67 GLN : amide:sc= -3.2 K(o=-3.2,f=-4.4!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00737) USER MOD Single : A 74 SER OG : rot -69:sc= -2.18 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -0.0469 K(o=-0.047,f=-3.2!) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.0036) USER MOD Single : A 88 TYR OH : rot -62:sc= -0.175 USER MOD ----------------------------------------------------------------- ATOM 68 N HIS A 8 -8.110 10.968 9.536 1.00 0.00 N ATOM 69 CA HIS A 8 -7.515 10.684 8.233 1.00 0.00 C ATOM 70 C HIS A 8 -8.366 9.687 7.448 1.00 0.00 C ATOM 71 O HIS A 8 -8.401 8.500 7.774 1.00 0.00 O ATOM 72 CB HIS A 8 -6.099 10.133 8.410 1.00 0.00 C ATOM 73 CG HIS A 8 -5.141 11.122 8.999 1.00 0.00 C ATOM 74 ND1 HIS A 8 -4.763 11.129 10.323 1.00 0.00 N ATOM 75 CD2 HIS A 8 -4.477 12.152 8.414 1.00 0.00 C ATOM 76 CE1 HIS A 8 -3.902 12.141 10.499 1.00 0.00 C ATOM 77 NE2 HIS A 8 -3.694 12.792 9.371 1.00 0.00 N ATOM 0 HA HIS A 8 -7.471 11.616 7.670 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.138 9.252 9.050 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.721 9.806 7.441 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -4.545 12.430 7.373 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.439 12.391 11.442 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.085 13.598 9.229 1.00 0.00 H new ATOM 85 N PRO A 9 -9.069 10.154 6.399 1.00 0.00 N ATOM 86 CA PRO A 9 -9.923 9.292 5.574 1.00 0.00 C ATOM 87 C PRO A 9 -9.131 8.206 4.851 1.00 0.00 C ATOM 88 O PRO A 9 -9.685 7.179 4.459 1.00 0.00 O ATOM 89 CB PRO A 9 -10.549 10.257 4.556 1.00 0.00 C ATOM 90 CG PRO A 9 -10.364 11.616 5.141 1.00 0.00 C ATOM 91 CD PRO A 9 -9.093 11.551 5.936 1.00 0.00 C ATOM 0 HA PRO A 9 -10.655 8.759 6.181 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -10.060 10.176 3.585 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -11.605 10.035 4.401 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.297 12.372 4.359 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.208 11.887 5.775 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.222 11.790 5.326 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -9.101 12.253 6.770 1.00 0.00 H new ATOM 99 N HIS A 10 -7.833 8.439 4.674 1.00 0.00 N ATOM 100 CA HIS A 10 -6.972 7.478 3.994 1.00 0.00 C ATOM 101 C HIS A 10 -6.283 6.551 4.991 1.00 0.00 C ATOM 102 O HIS A 10 -6.330 5.329 4.849 1.00 0.00 O ATOM 103 CB HIS A 10 -5.924 8.211 3.153 1.00 0.00 C ATOM 104 CG HIS A 10 -6.506 8.976 2.006 1.00 0.00 C ATOM 105 ND1 HIS A 10 -7.074 10.225 2.125 1.00 0.00 N ATOM 106 CD2 HIS A 10 -6.601 8.646 0.693 1.00 0.00 C ATOM 107 CE1 HIS A 10 -7.488 10.607 0.910 1.00 0.00 C ATOM 108 NE2 HIS A 10 -7.224 9.683 0.005 1.00 0.00 N ATOM 0 H HIS A 10 -7.356 9.283 4.991 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.598 6.870 3.340 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.371 8.898 3.794 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.206 7.486 2.769 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -7.164 10.764 2.986 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -6.249 7.725 0.252 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.974 11.548 0.698 1.00 0.00 H new ATOM 116 N ILE A 11 -5.642 7.139 5.996 1.00 0.00 N ATOM 117 CA ILE A 11 -4.942 6.361 7.013 1.00 0.00 C ATOM 118 C ILE A 11 -5.913 5.506 7.821 1.00 0.00 C ATOM 119 O ILE A 11 -5.547 4.442 8.324 1.00 0.00 O ATOM 120 CB ILE A 11 -4.153 7.271 7.975 1.00 0.00 C ATOM 121 CG1 ILE A 11 -3.267 8.240 7.188 1.00 0.00 C ATOM 122 CG2 ILE A 11 -3.313 6.433 8.928 1.00 0.00 C ATOM 123 CD1 ILE A 11 -2.447 9.160 8.066 1.00 0.00 C ATOM 0 H ILE A 11 -5.593 8.149 6.128 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.244 5.711 6.485 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.863 7.854 8.562 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.595 7.667 6.549 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.895 8.842 6.532 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -2.762 7.090 9.601 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.964 5.781 9.510 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.610 5.827 8.356 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.844 9.818 7.440 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.113 9.759 8.687 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.793 8.566 8.704 1.00 0.00 H new ATOM 135 N GLN A 12 -7.150 5.975 7.944 1.00 0.00 N ATOM 136 CA GLN A 12 -8.171 5.250 8.694 1.00 0.00 C ATOM 137 C GLN A 12 -8.702 4.067 7.891 1.00 0.00 C ATOM 138 O GLN A 12 -9.047 3.027 8.455 1.00 0.00 O ATOM 139 CB GLN A 12 -9.322 6.187 9.065 1.00 0.00 C ATOM 140 CG GLN A 12 -10.389 5.529 9.925 1.00 0.00 C ATOM 141 CD GLN A 12 -10.859 6.421 11.057 1.00 0.00 C ATOM 142 OE1 GLN A 12 -10.772 7.646 10.973 1.00 0.00 O ATOM 143 NE2 GLN A 12 -11.361 5.809 12.123 1.00 0.00 N ATOM 0 H GLN A 12 -7.470 6.853 7.535 1.00 0.00 H new ATOM 0 HA GLN A 12 -7.712 4.869 9.606 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.920 7.050 9.596 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.784 6.562 8.151 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -11.241 5.263 9.300 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -9.995 4.601 10.339 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.414 4.791 12.149 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.694 6.357 12.916 1.00 0.00 H new ATOM 152 N LEU A 13 -8.766 4.230 6.575 1.00 0.00 N ATOM 153 CA LEU A 13 -9.257 3.176 5.695 1.00 0.00 C ATOM 154 C LEU A 13 -8.397 1.921 5.818 1.00 0.00 C ATOM 155 O LEU A 13 -8.890 0.803 5.675 1.00 0.00 O ATOM 156 CB LEU A 13 -9.273 3.657 4.244 1.00 0.00 C ATOM 157 CG LEU A 13 -10.538 4.407 3.825 1.00 0.00 C ATOM 158 CD1 LEU A 13 -10.356 5.037 2.453 1.00 0.00 C ATOM 159 CD2 LEU A 13 -11.736 3.469 3.828 1.00 0.00 C ATOM 0 H LEU A 13 -8.484 5.083 6.093 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.275 2.930 5.998 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.413 4.307 4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.147 2.794 3.590 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.722 5.204 4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.267 5.566 2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.523 5.739 2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.148 4.258 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -12.629 4.018 3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.560 2.652 3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -11.879 3.065 4.830 1.00 0.00 H new ATOM 171 N LEU A 14 -7.109 2.115 6.080 1.00 0.00 N ATOM 172 CA LEU A 14 -6.180 0.999 6.219 1.00 0.00 C ATOM 173 C LEU A 14 -6.279 0.378 7.610 1.00 0.00 C ATOM 174 O LEU A 14 -6.391 -0.840 7.749 1.00 0.00 O ATOM 175 CB LEU A 14 -4.747 1.465 5.957 1.00 0.00 C ATOM 176 CG LEU A 14 -4.506 2.067 4.571 1.00 0.00 C ATOM 177 CD1 LEU A 14 -3.481 3.188 4.648 1.00 0.00 C ATOM 178 CD2 LEU A 14 -4.051 0.993 3.596 1.00 0.00 C ATOM 0 H LEU A 14 -6.684 3.035 6.200 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.449 0.242 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.478 2.206 6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.075 0.617 6.090 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.445 2.485 4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.322 3.605 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.846 3.969 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.540 2.794 5.031 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.884 1.439 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.123 0.546 3.954 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.819 0.223 3.519 1.00 0.00 H new ATOM 190 N LYS A 15 -6.233 1.222 8.634 1.00 0.00 N ATOM 191 CA LYS A 15 -6.315 0.755 10.013 1.00 0.00 C ATOM 192 C LYS A 15 -7.625 0.015 10.263 1.00 0.00 C ATOM 193 O LYS A 15 -7.626 -1.138 10.694 1.00 0.00 O ATOM 194 CB LYS A 15 -6.190 1.933 10.980 1.00 0.00 C ATOM 195 CG LYS A 15 -4.839 2.628 10.922 1.00 0.00 C ATOM 196 CD LYS A 15 -4.773 3.802 11.885 1.00 0.00 C ATOM 197 CE LYS A 15 -3.353 4.325 12.030 1.00 0.00 C ATOM 198 NZ LYS A 15 -3.323 5.694 12.617 1.00 0.00 N ATOM 0 H LYS A 15 -6.139 2.233 8.536 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.491 0.063 10.184 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -6.972 2.659 10.758 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.363 1.578 11.996 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.051 1.914 11.163 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.652 2.978 9.907 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.422 4.602 11.530 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.150 3.495 12.861 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.779 3.647 12.661 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.869 4.338 11.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.337 6.015 12.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.849 6.347 12.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.762 5.677 13.560 1.00 0.00 H new ATOM 212 N SER A 16 -8.739 0.686 9.989 1.00 0.00 N ATOM 213 CA SER A 16 -10.057 0.093 10.184 1.00 0.00 C ATOM 214 C SER A 16 -10.215 -1.173 9.347 1.00 0.00 C ATOM 215 O SER A 16 -10.670 -2.204 9.842 1.00 0.00 O ATOM 216 CB SER A 16 -11.151 1.100 9.822 1.00 0.00 C ATOM 217 OG SER A 16 -12.173 1.118 10.804 1.00 0.00 O ATOM 0 H SER A 16 -8.755 1.641 9.631 1.00 0.00 H new ATOM 0 HA SER A 16 -10.155 -0.176 11.236 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.717 2.095 9.727 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.578 0.844 8.852 1.00 0.00 H new ATOM 0 HG SER A 16 -12.859 1.770 10.550 1.00 0.00 H new ATOM 223 N ASN A 17 -9.837 -1.087 8.076 1.00 0.00 N ATOM 224 CA ASN A 17 -9.938 -2.224 7.170 1.00 0.00 C ATOM 225 C ASN A 17 -8.573 -2.871 6.956 1.00 0.00 C ATOM 226 O ASN A 17 -8.140 -3.075 5.821 1.00 0.00 O ATOM 227 CB ASN A 17 -10.526 -1.784 5.829 1.00 0.00 C ATOM 228 CG ASN A 17 -11.764 -0.924 5.994 1.00 0.00 C ATOM 229 OD1 ASN A 17 -12.863 -1.433 6.214 1.00 0.00 O ATOM 230 ND2 ASN A 17 -11.592 0.388 5.889 1.00 0.00 N ATOM 0 H ASN A 17 -9.458 -0.241 7.650 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.601 -2.961 7.623 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.773 -1.228 5.270 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.775 -2.665 5.238 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.389 1.017 5.991 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.663 0.768 5.706 1.00 0.00 H new ATOM 237 N ARG A 18 -7.897 -3.192 8.055 1.00 0.00 N ATOM 238 CA ARG A 18 -6.581 -3.816 7.989 1.00 0.00 C ATOM 239 C ARG A 18 -6.701 -5.316 7.742 1.00 0.00 C ATOM 240 O ARG A 18 -6.223 -5.829 6.729 1.00 0.00 O ATOM 241 CB ARG A 18 -5.807 -3.562 9.285 1.00 0.00 C ATOM 242 CG ARG A 18 -4.407 -4.150 9.282 1.00 0.00 C ATOM 243 CD ARG A 18 -3.923 -4.442 10.694 1.00 0.00 C ATOM 244 NE ARG A 18 -3.297 -3.275 11.311 1.00 0.00 N ATOM 245 CZ ARG A 18 -3.112 -3.139 12.622 1.00 0.00 C ATOM 246 NH1 ARG A 18 -3.503 -4.095 13.457 1.00 0.00 N ATOM 247 NH2 ARG A 18 -2.534 -2.046 13.101 1.00 0.00 N ATOM 0 H ARG A 18 -8.240 -3.030 9.002 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.038 -3.371 7.155 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.740 -2.487 9.454 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.367 -3.982 10.121 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.398 -5.069 8.696 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.721 -3.456 8.797 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.765 -4.768 11.305 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.209 -5.266 10.669 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.983 -2.520 10.701 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.947 -4.938 13.094 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.359 -3.986 14.461 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.231 -1.309 12.465 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.393 -1.942 14.106 1.00 0.00 H new ATOM 261 N GLU A 19 -7.341 -6.015 8.672 1.00 0.00 N ATOM 262 CA GLU A 19 -7.523 -7.458 8.555 1.00 0.00 C ATOM 263 C GLU A 19 -8.307 -7.807 7.294 1.00 0.00 C ATOM 264 O GLU A 19 -8.105 -8.867 6.700 1.00 0.00 O ATOM 265 CB GLU A 19 -8.249 -8.003 9.788 1.00 0.00 C ATOM 266 CG GLU A 19 -7.429 -7.914 11.065 1.00 0.00 C ATOM 267 CD GLU A 19 -7.656 -9.096 11.987 1.00 0.00 C ATOM 268 OE1 GLU A 19 -7.505 -10.246 11.525 1.00 0.00 O ATOM 269 OE2 GLU A 19 -7.986 -8.871 13.170 1.00 0.00 O ATOM 0 H GLU A 19 -7.743 -5.606 9.516 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.538 -7.919 8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.180 -7.452 9.924 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.518 -9.044 9.610 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.371 -7.855 10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.682 -6.994 11.591 1.00 0.00 H new ATOM 276 N LEU A 20 -9.200 -6.911 6.891 1.00 0.00 N ATOM 277 CA LEU A 20 -10.015 -7.125 5.701 1.00 0.00 C ATOM 278 C LEU A 20 -9.155 -7.106 4.442 1.00 0.00 C ATOM 279 O LEU A 20 -9.409 -7.848 3.492 1.00 0.00 O ATOM 280 CB LEU A 20 -11.104 -6.054 5.603 1.00 0.00 C ATOM 281 CG LEU A 20 -12.034 -6.186 4.394 1.00 0.00 C ATOM 282 CD1 LEU A 20 -13.341 -6.856 4.795 1.00 0.00 C ATOM 283 CD2 LEU A 20 -12.303 -4.822 3.776 1.00 0.00 C ATOM 0 H LEU A 20 -9.378 -6.029 7.371 1.00 0.00 H new ATOM 0 HA LEU A 20 -10.484 -8.105 5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.706 -6.085 6.511 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.627 -5.074 5.571 1.00 0.00 H new ATOM 0 HG LEU A 20 -11.541 -6.811 3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.989 -6.941 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -13.134 -7.850 5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.837 -6.257 5.559 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.966 -4.936 2.918 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.774 -4.174 4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.362 -4.378 3.451 1.00 0.00 H new ATOM 295 N LEU A 21 -8.137 -6.252 4.439 1.00 0.00 N ATOM 296 CA LEU A 21 -7.239 -6.135 3.296 1.00 0.00 C ATOM 297 C LEU A 21 -6.342 -7.363 3.179 1.00 0.00 C ATOM 298 O LEU A 21 -6.003 -7.794 2.077 1.00 0.00 O ATOM 299 CB LEU A 21 -6.384 -4.872 3.420 1.00 0.00 C ATOM 300 CG LEU A 21 -6.962 -3.629 2.741 1.00 0.00 C ATOM 301 CD1 LEU A 21 -6.195 -2.386 3.162 1.00 0.00 C ATOM 302 CD2 LEU A 21 -6.935 -3.789 1.228 1.00 0.00 C ATOM 0 H LEU A 21 -7.913 -5.630 5.216 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.847 -6.066 2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.237 -4.654 4.478 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.400 -5.075 2.996 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.999 -3.514 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.620 -1.512 2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.266 -2.263 4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.148 -2.490 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.350 -2.896 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.906 -3.929 0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.530 -4.657 0.943 1.00 0.00 H new ATOM 314 N VAL A 22 -5.959 -7.921 4.323 1.00 0.00 N ATOM 315 CA VAL A 22 -5.100 -9.099 4.347 1.00 0.00 C ATOM 316 C VAL A 22 -5.838 -10.331 3.835 1.00 0.00 C ATOM 317 O VAL A 22 -5.228 -11.246 3.281 1.00 0.00 O ATOM 318 CB VAL A 22 -4.576 -9.383 5.767 1.00 0.00 C ATOM 319 CG1 VAL A 22 -3.531 -10.487 5.741 1.00 0.00 C ATOM 320 CG2 VAL A 22 -4.010 -8.117 6.392 1.00 0.00 C ATOM 0 H VAL A 22 -6.230 -7.577 5.244 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.256 -8.886 3.691 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.411 -9.720 6.381 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.173 -10.673 6.754 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.974 -11.398 5.340 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.695 -10.182 5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.645 -8.338 7.395 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.188 -7.745 5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -4.791 -7.359 6.449 1.00 0.00 H new ATOM 330 N THR A 23 -7.154 -10.350 4.024 1.00 0.00 N ATOM 331 CA THR A 23 -7.973 -11.472 3.581 1.00 0.00 C ATOM 332 C THR A 23 -8.295 -11.361 2.094 1.00 0.00 C ATOM 333 O THR A 23 -8.464 -12.371 1.410 1.00 0.00 O ATOM 334 CB THR A 23 -9.270 -11.533 4.390 1.00 0.00 C ATOM 335 OG1 THR A 23 -9.024 -11.237 5.754 1.00 0.00 O ATOM 336 CG2 THR A 23 -9.950 -12.883 4.329 1.00 0.00 C ATOM 0 H THR A 23 -7.675 -9.601 4.481 1.00 0.00 H new ATOM 0 HA THR A 23 -7.405 -12.388 3.743 1.00 0.00 H new ATOM 0 HB THR A 23 -9.929 -10.792 3.937 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.851 -10.278 5.854 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.863 -12.858 4.924 1.00 0.00 H new ATOM 0 HG22 THR A 23 -10.197 -13.119 3.294 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.280 -13.646 4.725 1.00 0.00 H new ATOM 344 N HIS A 24 -8.378 -10.130 1.600 1.00 0.00 N ATOM 345 CA HIS A 24 -8.682 -9.890 0.193 1.00 0.00 C ATOM 346 C HIS A 24 -7.409 -9.873 -0.645 1.00 0.00 C ATOM 347 O HIS A 24 -7.274 -10.634 -1.604 1.00 0.00 O ATOM 348 CB HIS A 24 -9.432 -8.567 0.031 1.00 0.00 C ATOM 349 CG HIS A 24 -10.921 -8.715 0.067 1.00 0.00 C ATOM 350 ND1 HIS A 24 -11.595 -9.812 -0.420 1.00 0.00 N ATOM 351 CD2 HIS A 24 -11.873 -7.874 0.548 1.00 0.00 C ATOM 352 CE1 HIS A 24 -12.906 -9.610 -0.225 1.00 0.00 C ATOM 353 NE2 HIS A 24 -13.126 -8.448 0.359 1.00 0.00 N ATOM 0 H HIS A 24 -8.239 -9.284 2.152 1.00 0.00 H new ATOM 0 HA HIS A 24 -9.315 -10.704 -0.160 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -9.124 -7.885 0.823 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -9.143 -8.109 -0.915 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -11.687 -6.913 1.004 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -13.680 -10.307 -0.509 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -14.029 -8.052 0.619 1.00 0.00 H new ATOM 361 N ILE A 25 -6.476 -9.000 -0.281 1.00 0.00 N ATOM 362 CA ILE A 25 -5.214 -8.883 -1.001 1.00 0.00 C ATOM 363 C ILE A 25 -4.421 -10.185 -0.932 1.00 0.00 C ATOM 364 O ILE A 25 -4.571 -10.966 0.008 1.00 0.00 O ATOM 365 CB ILE A 25 -4.350 -7.735 -0.444 1.00 0.00 C ATOM 366 CG1 ILE A 25 -5.151 -6.432 -0.414 1.00 0.00 C ATOM 367 CG2 ILE A 25 -3.087 -7.566 -1.276 1.00 0.00 C ATOM 368 CD1 ILE A 25 -4.371 -5.256 0.133 1.00 0.00 C ATOM 0 H ILE A 25 -6.570 -8.362 0.510 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.462 -8.666 -2.040 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.058 -7.985 0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -5.486 -6.197 -1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.045 -6.578 0.192 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.489 -6.751 -0.868 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.508 -8.489 -1.250 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.358 -7.337 -2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.001 -4.366 0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.059 -5.470 1.155 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -3.491 -5.083 -0.486 1.00 0.00 H new ATOM 380 N ARG A 26 -3.578 -10.412 -1.933 1.00 0.00 N ATOM 381 CA ARG A 26 -2.761 -11.618 -1.988 1.00 0.00 C ATOM 382 C ARG A 26 -1.331 -11.286 -2.408 1.00 0.00 C ATOM 383 O ARG A 26 -0.371 -11.745 -1.791 1.00 0.00 O ATOM 384 CB ARG A 26 -3.373 -12.630 -2.960 1.00 0.00 C ATOM 385 CG ARG A 26 -3.942 -13.863 -2.275 1.00 0.00 C ATOM 386 CD ARG A 26 -5.450 -13.958 -2.449 1.00 0.00 C ATOM 387 NE ARG A 26 -5.827 -14.997 -3.406 1.00 0.00 N ATOM 388 CZ ARG A 26 -7.036 -15.098 -3.952 1.00 0.00 C ATOM 389 NH1 ARG A 26 -7.988 -14.227 -3.641 1.00 0.00 N ATOM 390 NH2 ARG A 26 -7.294 -16.073 -4.812 1.00 0.00 N ATOM 0 H ARG A 26 -3.443 -9.775 -2.718 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.734 -12.057 -0.991 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -4.165 -12.142 -3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.612 -12.941 -3.675 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.471 -14.757 -2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.699 -13.834 -1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.914 -14.168 -1.485 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.837 -12.997 -2.787 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.122 -15.685 -3.671 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -7.795 -13.475 -2.980 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -8.913 -14.310 -4.063 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.566 -16.745 -5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -8.221 -16.151 -5.231 1.00 0.00 H new ATOM 404 N ASN A 27 -1.199 -10.486 -3.461 1.00 0.00 N ATOM 405 CA ASN A 27 0.112 -10.094 -3.963 1.00 0.00 C ATOM 406 C ASN A 27 0.593 -8.815 -3.285 1.00 0.00 C ATOM 407 O ASN A 27 -0.095 -7.794 -3.303 1.00 0.00 O ATOM 408 CB ASN A 27 0.062 -9.893 -5.480 1.00 0.00 C ATOM 409 CG ASN A 27 0.474 -11.138 -6.241 1.00 0.00 C ATOM 410 OD1 ASN A 27 1.410 -11.836 -5.851 1.00 0.00 O ATOM 411 ND2 ASN A 27 -0.222 -11.420 -7.335 1.00 0.00 N ATOM 0 H ASN A 27 -1.984 -10.097 -3.983 1.00 0.00 H new ATOM 0 HA ASN A 27 0.816 -10.894 -3.733 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -0.949 -9.609 -5.773 1.00 0.00 H new ATOM 0 HB3 ASN A 27 0.718 -9.068 -5.756 1.00 0.00 H new ATOM 0 HD21 ASN A 27 0.011 -12.244 -7.890 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.990 -10.813 -7.621 1.00 0.00 H new ATOM 418 N THR A 28 1.778 -8.878 -2.688 1.00 0.00 N ATOM 419 CA THR A 28 2.352 -7.726 -2.001 1.00 0.00 C ATOM 420 C THR A 28 3.565 -7.189 -2.756 1.00 0.00 C ATOM 421 O THR A 28 3.864 -5.996 -2.701 1.00 0.00 O ATOM 422 CB THR A 28 2.752 -8.104 -0.574 1.00 0.00 C ATOM 423 OG1 THR A 28 3.789 -9.069 -0.584 1.00 0.00 O ATOM 424 CG2 THR A 28 1.608 -8.669 0.238 1.00 0.00 C ATOM 0 H THR A 28 2.360 -9.715 -2.666 1.00 0.00 H new ATOM 0 HA THR A 28 1.594 -6.943 -1.964 1.00 0.00 H new ATOM 0 HB THR A 28 3.081 -7.174 -0.110 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.033 -9.297 0.337 1.00 0.00 H new ATOM 0 HG21 THR A 28 1.960 -8.916 1.240 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.810 -7.930 0.306 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.228 -9.569 -0.246 1.00 0.00 H new ATOM 432 N GLN A 29 4.262 -8.078 -3.457 1.00 0.00 N ATOM 433 CA GLN A 29 5.445 -7.695 -4.221 1.00 0.00 C ATOM 434 C GLN A 29 5.112 -6.604 -5.235 1.00 0.00 C ATOM 435 O GLN A 29 5.959 -5.775 -5.569 1.00 0.00 O ATOM 436 CB GLN A 29 6.031 -8.914 -4.935 1.00 0.00 C ATOM 437 CG GLN A 29 7.541 -9.026 -4.806 1.00 0.00 C ATOM 438 CD GLN A 29 8.262 -7.784 -5.292 1.00 0.00 C ATOM 439 OE1 GLN A 29 9.007 -7.152 -4.542 1.00 0.00 O ATOM 440 NE2 GLN A 29 8.044 -7.427 -6.552 1.00 0.00 N ATOM 0 H GLN A 29 4.028 -9.069 -3.512 1.00 0.00 H new ATOM 0 HA GLN A 29 6.185 -7.300 -3.525 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.572 -9.817 -4.531 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.767 -8.868 -5.992 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.800 -9.207 -3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.887 -9.889 -5.375 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.419 -7.980 -7.138 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.502 -6.600 -6.934 1.00 0.00 H new ATOM 449 N CYS A 30 3.876 -6.611 -5.723 1.00 0.00 N ATOM 450 CA CYS A 30 3.434 -5.622 -6.699 1.00 0.00 C ATOM 451 C CYS A 30 3.235 -4.259 -6.043 1.00 0.00 C ATOM 452 O CYS A 30 3.523 -3.223 -6.641 1.00 0.00 O ATOM 453 CB CYS A 30 2.134 -6.076 -7.364 1.00 0.00 C ATOM 454 SG CYS A 30 2.375 -7.040 -8.875 1.00 0.00 S ATOM 0 H CYS A 30 3.163 -7.291 -5.459 1.00 0.00 H new ATOM 0 HA CYS A 30 4.209 -5.528 -7.459 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.564 -6.673 -6.652 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.532 -5.198 -7.598 1.00 0.00 H new ATOM 0 HG CYS A 30 1.219 -7.380 -9.362 1.00 0.00 H new ATOM 460 N LEU A 31 2.740 -4.269 -4.810 1.00 0.00 N ATOM 461 CA LEU A 31 2.502 -3.034 -4.072 1.00 0.00 C ATOM 462 C LEU A 31 3.817 -2.341 -3.731 1.00 0.00 C ATOM 463 O LEU A 31 3.917 -1.115 -3.785 1.00 0.00 O ATOM 464 CB LEU A 31 1.718 -3.324 -2.790 1.00 0.00 C ATOM 465 CG LEU A 31 0.205 -3.461 -2.973 1.00 0.00 C ATOM 466 CD1 LEU A 31 -0.398 -4.266 -1.833 1.00 0.00 C ATOM 467 CD2 LEU A 31 -0.446 -2.089 -3.064 1.00 0.00 C ATOM 0 H LEU A 31 2.496 -5.118 -4.301 1.00 0.00 H new ATOM 0 HA LEU A 31 1.916 -2.369 -4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.100 -4.245 -2.349 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.911 -2.524 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 31 0.016 -3.993 -3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.475 -4.354 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.048 -5.260 -1.814 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.200 -3.762 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.522 -2.205 -3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.249 -1.531 -2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.034 -1.547 -3.915 1.00 0.00 H new ATOM 479 N VAL A 32 4.823 -3.134 -3.378 1.00 0.00 N ATOM 480 CA VAL A 32 6.132 -2.597 -3.027 1.00 0.00 C ATOM 481 C VAL A 32 6.901 -2.165 -4.271 1.00 0.00 C ATOM 482 O VAL A 32 7.638 -1.180 -4.247 1.00 0.00 O ATOM 483 CB VAL A 32 6.973 -3.629 -2.252 1.00 0.00 C ATOM 484 CG1 VAL A 32 8.256 -2.996 -1.735 1.00 0.00 C ATOM 485 CG2 VAL A 32 6.165 -4.224 -1.107 1.00 0.00 C ATOM 0 H VAL A 32 4.757 -4.151 -3.327 1.00 0.00 H new ATOM 0 HA VAL A 32 5.957 -1.729 -2.391 1.00 0.00 H new ATOM 0 HB VAL A 32 7.243 -4.435 -2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.836 -3.741 -1.191 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.842 -2.623 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.011 -2.169 -1.068 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.775 -4.951 -0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.862 -3.430 -0.424 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.279 -4.718 -1.505 1.00 0.00 H new ATOM 495 N ASP A 33 6.724 -2.909 -5.358 1.00 0.00 N ATOM 496 CA ASP A 33 7.400 -2.603 -6.613 1.00 0.00 C ATOM 497 C ASP A 33 7.016 -1.212 -7.113 1.00 0.00 C ATOM 498 O ASP A 33 7.880 -0.367 -7.350 1.00 0.00 O ATOM 499 CB ASP A 33 7.057 -3.654 -7.672 1.00 0.00 C ATOM 500 CG ASP A 33 8.270 -4.456 -8.104 1.00 0.00 C ATOM 501 OD1 ASP A 33 9.200 -4.614 -7.286 1.00 0.00 O ATOM 502 OD2 ASP A 33 8.289 -4.926 -9.262 1.00 0.00 O ATOM 0 H ASP A 33 6.118 -3.728 -5.395 1.00 0.00 H new ATOM 0 HA ASP A 33 8.475 -2.620 -6.432 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.299 -4.331 -7.277 1.00 0.00 H new ATOM 0 HB3 ASP A 33 6.622 -3.161 -8.542 1.00 0.00 H new ATOM 507 N ASN A 34 5.717 -0.984 -7.272 1.00 0.00 N ATOM 508 CA ASN A 34 5.219 0.303 -7.743 1.00 0.00 C ATOM 509 C ASN A 34 5.543 1.411 -6.746 1.00 0.00 C ATOM 510 O ASN A 34 5.778 2.557 -7.129 1.00 0.00 O ATOM 511 CB ASN A 34 3.710 0.236 -7.975 1.00 0.00 C ATOM 512 CG ASN A 34 3.347 -0.612 -9.178 1.00 0.00 C ATOM 513 OD1 ASN A 34 3.335 -0.129 -10.312 1.00 0.00 O ATOM 514 ND2 ASN A 34 3.049 -1.883 -8.939 1.00 0.00 N ATOM 0 H ASN A 34 4.990 -1.674 -7.082 1.00 0.00 H new ATOM 0 HA ASN A 34 5.715 0.532 -8.686 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.227 -0.172 -7.087 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.322 1.245 -8.115 1.00 0.00 H new ATOM 0 HD21 ASN A 34 2.797 -2.502 -9.710 1.00 0.00 H new ATOM 0 HD22 ASN A 34 3.072 -2.241 -7.984 1.00 0.00 H new ATOM 521 N LEU A 35 5.552 1.062 -5.464 1.00 0.00 N ATOM 522 CA LEU A 35 5.846 2.027 -4.410 1.00 0.00 C ATOM 523 C LEU A 35 7.326 2.393 -4.405 1.00 0.00 C ATOM 524 O LEU A 35 7.695 3.523 -4.087 1.00 0.00 O ATOM 525 CB LEU A 35 5.443 1.463 -3.046 1.00 0.00 C ATOM 526 CG LEU A 35 3.951 1.558 -2.721 1.00 0.00 C ATOM 527 CD1 LEU A 35 3.582 0.579 -1.617 1.00 0.00 C ATOM 528 CD2 LEU A 35 3.584 2.979 -2.321 1.00 0.00 C ATOM 0 H LEU A 35 5.359 0.118 -5.129 1.00 0.00 H new ATOM 0 HA LEU A 35 5.268 2.930 -4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.743 0.416 -3.000 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.002 1.990 -2.273 1.00 0.00 H new ATOM 0 HG LEU A 35 3.385 1.295 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.517 0.661 -1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.809 -0.437 -1.940 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.155 0.811 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.519 3.029 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.158 3.269 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.812 3.658 -3.142 1.00 0.00 H new ATOM 540 N LEU A 36 8.170 1.428 -4.757 1.00 0.00 N ATOM 541 CA LEU A 36 9.611 1.650 -4.793 1.00 0.00 C ATOM 542 C LEU A 36 9.989 2.593 -5.930 1.00 0.00 C ATOM 543 O LEU A 36 10.946 3.359 -5.822 1.00 0.00 O ATOM 544 CB LEU A 36 10.348 0.318 -4.951 1.00 0.00 C ATOM 545 CG LEU A 36 10.544 -0.473 -3.658 1.00 0.00 C ATOM 546 CD1 LEU A 36 11.237 -1.796 -3.940 1.00 0.00 C ATOM 547 CD2 LEU A 36 11.338 0.343 -2.650 1.00 0.00 C ATOM 0 H LEU A 36 7.881 0.486 -5.021 1.00 0.00 H new ATOM 0 HA LEU A 36 9.907 2.112 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.797 -0.302 -5.658 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.326 0.512 -5.392 1.00 0.00 H new ATOM 0 HG LEU A 36 9.563 -0.685 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.368 -2.344 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.629 -2.386 -4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.212 -1.607 -4.389 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.468 -0.235 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.315 0.586 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.801 1.264 -2.423 1.00 0.00 H new ATOM 559 N LYS A 37 9.230 2.531 -7.019 1.00 0.00 N ATOM 560 CA LYS A 37 9.485 3.381 -8.177 1.00 0.00 C ATOM 561 C LYS A 37 9.019 4.809 -7.917 1.00 0.00 C ATOM 562 O LYS A 37 9.596 5.766 -8.434 1.00 0.00 O ATOM 563 CB LYS A 37 8.781 2.819 -9.413 1.00 0.00 C ATOM 564 CG LYS A 37 9.561 3.019 -10.703 1.00 0.00 C ATOM 565 CD LYS A 37 8.847 2.390 -11.889 1.00 0.00 C ATOM 566 CE LYS A 37 9.828 1.715 -12.835 1.00 0.00 C ATOM 567 NZ LYS A 37 10.438 0.500 -12.227 1.00 0.00 N ATOM 0 H LYS A 37 8.434 1.902 -7.124 1.00 0.00 H new ATOM 0 HA LYS A 37 10.560 3.396 -8.355 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.604 1.753 -9.267 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.805 3.293 -9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.700 4.085 -10.884 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.554 2.581 -10.601 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.122 1.659 -11.532 1.00 0.00 H new ATOM 0 HD3 LYS A 37 8.289 3.156 -12.427 1.00 0.00 H new ATOM 0 HE2 LYS A 37 9.314 1.441 -13.756 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.614 2.419 -13.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 10.805 -0.117 -12.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.217 0.780 -11.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.718 -0.013 -11.679 1.00 0.00 H new ATOM 581 N ASN A 38 7.971 4.946 -7.112 1.00 0.00 N ATOM 582 CA ASN A 38 7.425 6.258 -6.781 1.00 0.00 C ATOM 583 C ASN A 38 8.214 6.921 -5.650 1.00 0.00 C ATOM 584 O ASN A 38 7.895 8.035 -5.234 1.00 0.00 O ATOM 585 CB ASN A 38 5.954 6.134 -6.384 1.00 0.00 C ATOM 586 CG ASN A 38 5.040 6.002 -7.587 1.00 0.00 C ATOM 587 OD1 ASN A 38 4.284 6.919 -7.911 1.00 0.00 O ATOM 588 ND2 ASN A 38 5.105 4.857 -8.257 1.00 0.00 N ATOM 0 H ASN A 38 7.482 4.164 -6.676 1.00 0.00 H new ATOM 0 HA ASN A 38 7.508 6.886 -7.668 1.00 0.00 H new ATOM 0 HB2 ASN A 38 5.827 5.266 -5.737 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.662 7.009 -5.804 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.514 4.711 -9.075 1.00 0.00 H new ATOM 0 HD22 ASN A 38 5.746 4.124 -7.953 1.00 0.00 H new ATOM 595 N ASP A 39 9.241 6.233 -5.154 1.00 0.00 N ATOM 596 CA ASP A 39 10.066 6.762 -4.073 1.00 0.00 C ATOM 597 C ASP A 39 9.261 6.877 -2.782 1.00 0.00 C ATOM 598 O ASP A 39 9.504 7.766 -1.965 1.00 0.00 O ATOM 599 CB ASP A 39 10.637 8.130 -4.456 1.00 0.00 C ATOM 600 CG ASP A 39 11.803 8.535 -3.576 1.00 0.00 C ATOM 601 OD1 ASP A 39 12.489 7.635 -3.047 1.00 0.00 O ATOM 602 OD2 ASP A 39 12.030 9.753 -3.415 1.00 0.00 O ATOM 0 H ASP A 39 9.520 5.309 -5.484 1.00 0.00 H new ATOM 0 HA ASP A 39 10.890 6.068 -3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.961 8.107 -5.496 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.852 8.882 -4.383 1.00 0.00 H new ATOM 607 N TYR A 40 8.304 5.973 -2.605 1.00 0.00 N ATOM 608 CA TYR A 40 7.464 5.971 -1.413 1.00 0.00 C ATOM 609 C TYR A 40 7.972 4.958 -0.393 1.00 0.00 C ATOM 610 O TYR A 40 7.854 5.165 0.814 1.00 0.00 O ATOM 611 CB TYR A 40 6.015 5.655 -1.786 1.00 0.00 C ATOM 612 CG TYR A 40 5.262 6.838 -2.352 1.00 0.00 C ATOM 613 CD1 TYR A 40 5.202 8.042 -1.662 1.00 0.00 C ATOM 614 CD2 TYR A 40 4.612 6.750 -3.577 1.00 0.00 C ATOM 615 CE1 TYR A 40 4.514 9.125 -2.176 1.00 0.00 C ATOM 616 CE2 TYR A 40 3.923 7.828 -4.098 1.00 0.00 C ATOM 617 CZ TYR A 40 3.877 9.013 -3.394 1.00 0.00 C ATOM 618 OH TYR A 40 3.192 10.089 -3.908 1.00 0.00 O ATOM 0 H TYR A 40 8.090 5.232 -3.272 1.00 0.00 H new ATOM 0 HA TYR A 40 7.508 6.964 -0.965 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.005 4.846 -2.516 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.492 5.292 -0.901 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.701 8.133 -0.709 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.646 5.823 -4.131 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.475 10.054 -1.627 1.00 0.00 H new ATOM 0 HE2 TYR A 40 3.423 7.743 -5.052 1.00 0.00 H new ATOM 0 HH TYR A 40 2.802 9.845 -4.773 1.00 0.00 H new ATOM 628 N PHE A 41 8.538 3.861 -0.887 1.00 0.00 N ATOM 629 CA PHE A 41 9.065 2.815 -0.019 1.00 0.00 C ATOM 630 C PHE A 41 10.582 2.714 -0.151 1.00 0.00 C ATOM 631 O PHE A 41 11.147 3.032 -1.197 1.00 0.00 O ATOM 632 CB PHE A 41 8.422 1.469 -0.357 1.00 0.00 C ATOM 633 CG PHE A 41 7.154 1.203 0.402 1.00 0.00 C ATOM 634 CD1 PHE A 41 6.169 2.173 0.494 1.00 0.00 C ATOM 635 CD2 PHE A 41 6.946 -0.018 1.023 1.00 0.00 C ATOM 636 CE1 PHE A 41 5.000 1.930 1.192 1.00 0.00 C ATOM 637 CE2 PHE A 41 5.781 -0.267 1.723 1.00 0.00 C ATOM 638 CZ PHE A 41 4.806 0.709 1.807 1.00 0.00 C ATOM 0 H PHE A 41 8.643 3.674 -1.884 1.00 0.00 H new ATOM 0 HA PHE A 41 8.823 3.076 1.011 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.210 1.435 -1.426 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.135 0.672 -0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.316 3.130 0.015 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.704 -0.785 0.959 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.240 2.694 1.256 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.633 -1.223 2.204 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.894 0.517 2.353 1.00 0.00 H new ATOM 648 N SER A 42 11.235 2.268 0.918 1.00 0.00 N ATOM 649 CA SER A 42 12.687 2.125 0.920 1.00 0.00 C ATOM 650 C SER A 42 13.090 0.669 1.133 1.00 0.00 C ATOM 651 O SER A 42 12.258 -0.172 1.476 1.00 0.00 O ATOM 652 CB SER A 42 13.306 3.002 2.010 1.00 0.00 C ATOM 653 OG SER A 42 12.610 4.231 2.132 1.00 0.00 O ATOM 0 H SER A 42 10.783 2.000 1.792 1.00 0.00 H new ATOM 0 HA SER A 42 13.060 2.448 -0.052 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.285 2.473 2.963 1.00 0.00 H new ATOM 0 HB3 SER A 42 14.353 3.195 1.775 1.00 0.00 H new ATOM 0 HG SER A 42 13.024 4.773 2.836 1.00 0.00 H new ATOM 659 N ALA A 43 14.371 0.378 0.930 1.00 0.00 N ATOM 660 CA ALA A 43 14.884 -0.976 1.099 1.00 0.00 C ATOM 661 C ALA A 43 14.659 -1.473 2.524 1.00 0.00 C ATOM 662 O ALA A 43 14.465 -2.668 2.750 1.00 0.00 O ATOM 663 CB ALA A 43 16.363 -1.027 0.748 1.00 0.00 C ATOM 0 H ALA A 43 15.073 1.062 0.648 1.00 0.00 H new ATOM 0 HA ALA A 43 14.338 -1.633 0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 43 16.733 -2.044 0.879 1.00 0.00 H new ATOM 0 HB2 ALA A 43 16.502 -0.721 -0.289 1.00 0.00 H new ATOM 0 HB3 ALA A 43 16.916 -0.353 1.402 1.00 0.00 H new ATOM 669 N GLU A 44 14.684 -0.550 3.478 1.00 0.00 N ATOM 670 CA GLU A 44 14.481 -0.896 4.881 1.00 0.00 C ATOM 671 C GLU A 44 13.075 -1.440 5.110 1.00 0.00 C ATOM 672 O GLU A 44 12.900 -2.510 5.692 1.00 0.00 O ATOM 673 CB GLU A 44 14.721 0.329 5.769 1.00 0.00 C ATOM 674 CG GLU A 44 16.053 0.296 6.502 1.00 0.00 C ATOM 675 CD GLU A 44 16.102 -0.774 7.574 1.00 0.00 C ATOM 676 OE1 GLU A 44 15.665 -0.497 8.710 1.00 0.00 O ATOM 677 OE2 GLU A 44 16.578 -1.890 7.278 1.00 0.00 O ATOM 0 H GLU A 44 14.843 0.443 3.307 1.00 0.00 H new ATOM 0 HA GLU A 44 15.197 -1.674 5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.676 1.228 5.154 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.915 0.402 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 44 16.854 0.123 5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 44 16.238 1.269 6.957 1.00 0.00 H new ATOM 684 N ASP A 45 12.075 -0.697 4.645 1.00 0.00 N ATOM 685 CA ASP A 45 10.685 -1.107 4.799 1.00 0.00 C ATOM 686 C ASP A 45 10.409 -2.399 4.036 1.00 0.00 C ATOM 687 O ASP A 45 9.797 -3.326 4.566 1.00 0.00 O ATOM 688 CB ASP A 45 9.748 -0.002 4.306 1.00 0.00 C ATOM 689 CG ASP A 45 9.776 1.221 5.202 1.00 0.00 C ATOM 690 OD1 ASP A 45 9.271 1.133 6.342 1.00 0.00 O ATOM 691 OD2 ASP A 45 10.300 2.266 4.765 1.00 0.00 O ATOM 0 H ASP A 45 12.202 0.191 4.159 1.00 0.00 H new ATOM 0 HA ASP A 45 10.502 -1.286 5.858 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.031 0.286 3.294 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.730 -0.388 4.255 1.00 0.00 H new ATOM 696 N ALA A 46 10.866 -2.452 2.789 1.00 0.00 N ATOM 697 CA ALA A 46 10.670 -3.631 1.954 1.00 0.00 C ATOM 698 C ALA A 46 11.309 -4.863 2.585 1.00 0.00 C ATOM 699 O ALA A 46 10.834 -5.984 2.401 1.00 0.00 O ATOM 700 CB ALA A 46 11.238 -3.392 0.563 1.00 0.00 C ATOM 0 H ALA A 46 11.374 -1.693 2.335 1.00 0.00 H new ATOM 0 HA ALA A 46 9.599 -3.813 1.870 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.085 -4.280 -0.050 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.732 -2.543 0.104 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.305 -3.182 0.637 1.00 0.00 H new ATOM 706 N GLU A 47 12.389 -4.648 3.329 1.00 0.00 N ATOM 707 CA GLU A 47 13.095 -5.742 3.987 1.00 0.00 C ATOM 708 C GLU A 47 12.241 -6.354 5.093 1.00 0.00 C ATOM 709 O GLU A 47 12.297 -7.558 5.341 1.00 0.00 O ATOM 710 CB GLU A 47 14.423 -5.245 4.563 1.00 0.00 C ATOM 711 CG GLU A 47 15.641 -5.897 3.929 1.00 0.00 C ATOM 712 CD GLU A 47 16.946 -5.318 4.441 1.00 0.00 C ATOM 713 OE1 GLU A 47 17.047 -5.074 5.663 1.00 0.00 O ATOM 714 OE2 GLU A 47 17.864 -5.107 3.623 1.00 0.00 O ATOM 0 H GLU A 47 12.795 -3.726 3.491 1.00 0.00 H new ATOM 0 HA GLU A 47 13.296 -6.513 3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.487 -4.165 4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 47 14.437 -5.433 5.637 1.00 0.00 H new ATOM 0 HG2 GLU A 47 15.620 -6.968 4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.593 -5.773 2.847 1.00 0.00 H new ATOM 721 N ILE A 48 11.450 -5.516 5.757 1.00 0.00 N ATOM 722 CA ILE A 48 10.585 -5.975 6.836 1.00 0.00 C ATOM 723 C ILE A 48 9.402 -6.769 6.292 1.00 0.00 C ATOM 724 O ILE A 48 9.019 -7.795 6.855 1.00 0.00 O ATOM 725 CB ILE A 48 10.057 -4.795 7.675 1.00 0.00 C ATOM 726 CG1 ILE A 48 11.211 -3.890 8.108 1.00 0.00 C ATOM 727 CG2 ILE A 48 9.294 -5.305 8.888 1.00 0.00 C ATOM 728 CD1 ILE A 48 10.760 -2.546 8.639 1.00 0.00 C ATOM 0 H ILE A 48 11.391 -4.516 5.566 1.00 0.00 H new ATOM 0 HA ILE A 48 11.190 -6.620 7.473 1.00 0.00 H new ATOM 0 HB ILE A 48 9.373 -4.211 7.059 1.00 0.00 H new ATOM 0 HG12 ILE A 48 11.792 -4.399 8.877 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.876 -3.731 7.259 1.00 0.00 H new ATOM 0 HG21 ILE A 48 8.928 -4.459 9.470 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.450 -5.911 8.559 1.00 0.00 H new ATOM 0 HG23 ILE A 48 9.956 -5.911 9.506 1.00 0.00 H new ATOM 0 HD11 ILE A 48 11.631 -1.958 8.927 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.204 -2.017 7.865 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.119 -2.695 9.508 1.00 0.00 H new ATOM 740 N VAL A 49 8.827 -6.289 5.195 1.00 0.00 N ATOM 741 CA VAL A 49 7.688 -6.955 4.574 1.00 0.00 C ATOM 742 C VAL A 49 8.044 -8.379 4.162 1.00 0.00 C ATOM 743 O VAL A 49 7.381 -9.337 4.562 1.00 0.00 O ATOM 744 CB VAL A 49 7.191 -6.184 3.338 1.00 0.00 C ATOM 745 CG1 VAL A 49 5.890 -6.778 2.823 1.00 0.00 C ATOM 746 CG2 VAL A 49 7.021 -4.707 3.663 1.00 0.00 C ATOM 0 H VAL A 49 9.131 -5.441 4.717 1.00 0.00 H new ATOM 0 HA VAL A 49 6.892 -6.982 5.319 1.00 0.00 H new ATOM 0 HB VAL A 49 7.940 -6.276 2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.555 -6.219 1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 49 6.050 -7.820 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.130 -6.721 3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.669 -4.178 2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.294 -4.593 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.978 -4.291 3.978 1.00 0.00 H new ATOM 756 N CYS A 50 9.095 -8.512 3.359 1.00 0.00 N ATOM 757 CA CYS A 50 9.540 -9.820 2.891 1.00 0.00 C ATOM 758 C CYS A 50 9.935 -10.712 4.064 1.00 0.00 C ATOM 759 O CYS A 50 9.824 -11.937 3.991 1.00 0.00 O ATOM 760 CB CYS A 50 10.722 -9.666 1.932 1.00 0.00 C ATOM 761 SG CYS A 50 10.247 -9.503 0.196 1.00 0.00 S ATOM 0 H CYS A 50 9.654 -7.730 3.019 1.00 0.00 H new ATOM 0 HA CYS A 50 8.711 -10.291 2.363 1.00 0.00 H new ATOM 0 HB2 CYS A 50 11.300 -8.789 2.223 1.00 0.00 H new ATOM 0 HB3 CYS A 50 11.378 -10.530 2.039 1.00 0.00 H new ATOM 0 HG CYS A 50 11.314 -9.376 -0.536 1.00 0.00 H new ATOM 767 N ALA A 51 10.397 -10.091 5.146 1.00 0.00 N ATOM 768 CA ALA A 51 10.809 -10.829 6.334 1.00 0.00 C ATOM 769 C ALA A 51 9.677 -11.704 6.866 1.00 0.00 C ATOM 770 O ALA A 51 9.920 -12.697 7.553 1.00 0.00 O ATOM 771 CB ALA A 51 11.285 -9.865 7.412 1.00 0.00 C ATOM 0 H ALA A 51 10.495 -9.079 5.224 1.00 0.00 H new ATOM 0 HA ALA A 51 11.633 -11.485 6.054 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.590 -10.428 8.294 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.132 -9.290 7.038 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.474 -9.186 7.677 1.00 0.00 H new ATOM 777 N CYS A 52 8.441 -11.330 6.548 1.00 0.00 N ATOM 778 CA CYS A 52 7.274 -12.084 6.996 1.00 0.00 C ATOM 779 C CYS A 52 7.376 -13.550 6.580 1.00 0.00 C ATOM 780 O CYS A 52 7.949 -13.870 5.538 1.00 0.00 O ATOM 781 CB CYS A 52 5.995 -11.468 6.427 1.00 0.00 C ATOM 782 SG CYS A 52 5.603 -9.833 7.092 1.00 0.00 S ATOM 0 H CYS A 52 8.222 -10.510 5.982 1.00 0.00 H new ATOM 0 HA CYS A 52 7.240 -12.038 8.084 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.091 -11.394 5.344 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.160 -12.140 6.628 1.00 0.00 H new ATOM 0 HG CYS A 52 6.158 -8.919 6.352 1.00 0.00 H new ATOM 788 N PRO A 53 6.819 -14.464 7.393 1.00 0.00 N ATOM 789 CA PRO A 53 6.852 -15.899 7.107 1.00 0.00 C ATOM 790 C PRO A 53 5.860 -16.297 6.018 1.00 0.00 C ATOM 791 O PRO A 53 6.136 -17.181 5.206 1.00 0.00 O ATOM 792 CB PRO A 53 6.460 -16.530 8.442 1.00 0.00 C ATOM 793 CG PRO A 53 5.592 -15.511 9.096 1.00 0.00 C ATOM 794 CD PRO A 53 6.116 -14.168 8.658 1.00 0.00 C ATOM 0 HA PRO A 53 7.825 -16.220 6.735 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.928 -17.470 8.296 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.338 -16.752 9.049 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.551 -15.638 8.799 1.00 0.00 H new ATOM 0 HG3 PRO A 53 5.628 -15.608 10.181 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.308 -13.452 8.509 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.790 -13.739 9.400 1.00 0.00 H new ATOM 802 N THR A 54 4.705 -15.641 6.009 1.00 0.00 N ATOM 803 CA THR A 54 3.671 -15.926 5.021 1.00 0.00 C ATOM 804 C THR A 54 3.271 -14.662 4.267 1.00 0.00 C ATOM 805 O THR A 54 3.839 -13.591 4.485 1.00 0.00 O ATOM 806 CB THR A 54 2.445 -16.539 5.698 1.00 0.00 C ATOM 807 OG1 THR A 54 1.924 -15.662 6.681 1.00 0.00 O ATOM 808 CG2 THR A 54 2.732 -17.864 6.370 1.00 0.00 C ATOM 0 H THR A 54 4.461 -14.908 6.675 1.00 0.00 H new ATOM 0 HA THR A 54 4.078 -16.640 4.304 1.00 0.00 H new ATOM 0 HB THR A 54 1.726 -16.706 4.896 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.139 -16.071 7.102 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.820 -18.244 6.830 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.088 -18.579 5.628 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.495 -17.726 7.136 1.00 0.00 H new ATOM 816 N GLN A 55 2.291 -14.794 3.381 1.00 0.00 N ATOM 817 CA GLN A 55 1.813 -13.662 2.593 1.00 0.00 C ATOM 818 C GLN A 55 0.943 -12.735 3.440 1.00 0.00 C ATOM 819 O GLN A 55 1.177 -11.527 3.491 1.00 0.00 O ATOM 820 CB GLN A 55 1.025 -14.156 1.378 1.00 0.00 C ATOM 821 CG GLN A 55 1.430 -13.483 0.077 1.00 0.00 C ATOM 822 CD GLN A 55 2.626 -14.147 -0.576 1.00 0.00 C ATOM 823 OE1 GLN A 55 2.660 -15.367 -0.744 1.00 0.00 O ATOM 824 NE2 GLN A 55 3.618 -13.346 -0.947 1.00 0.00 N ATOM 0 H GLN A 55 1.811 -15.673 3.189 1.00 0.00 H new ATOM 0 HA GLN A 55 2.680 -13.099 2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 55 1.163 -15.233 1.279 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.038 -13.985 1.550 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.587 -13.500 -0.614 1.00 0.00 H new ATOM 0 HG3 GLN A 55 1.662 -12.436 0.271 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.548 -12.341 -0.789 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.450 -13.736 -1.390 1.00 0.00 H new ATOM 833 N PRO A 56 -0.079 -13.288 4.119 1.00 0.00 N ATOM 834 CA PRO A 56 -0.983 -12.502 4.964 1.00 0.00 C ATOM 835 C PRO A 56 -0.231 -11.599 5.936 1.00 0.00 C ATOM 836 O PRO A 56 -0.723 -10.540 6.323 1.00 0.00 O ATOM 837 CB PRO A 56 -1.773 -13.568 5.725 1.00 0.00 C ATOM 838 CG PRO A 56 -1.754 -14.759 4.832 1.00 0.00 C ATOM 839 CD PRO A 56 -0.432 -14.721 4.116 1.00 0.00 C ATOM 0 HA PRO A 56 -1.607 -11.828 4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.315 -13.788 6.689 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -2.793 -13.239 5.925 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.860 -15.679 5.407 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.582 -14.729 4.124 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.320 -15.321 4.629 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.514 -15.112 3.102 1.00 0.00 H new ATOM 847 N ASP A 57 0.966 -12.025 6.327 1.00 0.00 N ATOM 848 CA ASP A 57 1.788 -11.254 7.253 1.00 0.00 C ATOM 849 C ASP A 57 2.438 -10.070 6.545 1.00 0.00 C ATOM 850 O ASP A 57 2.678 -9.027 7.153 1.00 0.00 O ATOM 851 CB ASP A 57 2.864 -12.146 7.876 1.00 0.00 C ATOM 852 CG ASP A 57 2.454 -12.684 9.233 1.00 0.00 C ATOM 853 OD1 ASP A 57 1.235 -12.759 9.499 1.00 0.00 O ATOM 854 OD2 ASP A 57 3.350 -13.029 10.031 1.00 0.00 O ATOM 0 H ASP A 57 1.388 -12.900 6.017 1.00 0.00 H new ATOM 0 HA ASP A 57 1.142 -10.871 8.043 1.00 0.00 H new ATOM 0 HB2 ASP A 57 3.074 -12.980 7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 57 3.789 -11.578 7.978 1.00 0.00 H new ATOM 859 N LYS A 58 2.721 -10.239 5.258 1.00 0.00 N ATOM 860 CA LYS A 58 3.344 -9.184 4.466 1.00 0.00 C ATOM 861 C LYS A 58 2.371 -8.033 4.233 1.00 0.00 C ATOM 862 O LYS A 58 2.756 -6.864 4.271 1.00 0.00 O ATOM 863 CB LYS A 58 3.826 -9.741 3.125 1.00 0.00 C ATOM 864 CG LYS A 58 4.825 -10.877 3.263 1.00 0.00 C ATOM 865 CD LYS A 58 4.863 -11.742 2.013 1.00 0.00 C ATOM 866 CE LYS A 58 6.080 -11.430 1.156 1.00 0.00 C ATOM 867 NZ LYS A 58 6.697 -12.664 0.597 1.00 0.00 N ATOM 0 H LYS A 58 2.529 -11.097 4.741 1.00 0.00 H new ATOM 0 HA LYS A 58 4.201 -8.804 5.022 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.965 -10.092 2.556 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.281 -8.936 2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.817 -10.469 3.454 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.562 -11.492 4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.877 -12.794 2.298 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.956 -11.582 1.431 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.789 -10.768 0.340 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.817 -10.894 1.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.523 -12.408 0.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.998 -13.285 1.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.002 -13.162 0.005 1.00 0.00 H new ATOM 881 N VAL A 59 1.108 -8.372 3.991 1.00 0.00 N ATOM 882 CA VAL A 59 0.080 -7.365 3.751 1.00 0.00 C ATOM 883 C VAL A 59 -0.090 -6.456 4.963 1.00 0.00 C ATOM 884 O VAL A 59 -0.214 -5.238 4.825 1.00 0.00 O ATOM 885 CB VAL A 59 -1.275 -8.016 3.419 1.00 0.00 C ATOM 886 CG1 VAL A 59 -2.283 -6.960 2.987 1.00 0.00 C ATOM 887 CG2 VAL A 59 -1.108 -9.076 2.341 1.00 0.00 C ATOM 0 H VAL A 59 0.773 -9.335 3.956 1.00 0.00 H new ATOM 0 HA VAL A 59 0.409 -6.772 2.898 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.654 -8.502 4.318 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.235 -7.438 2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.425 -6.241 3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.912 -6.444 2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.076 -9.525 2.119 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.706 -8.616 1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.422 -9.847 2.692 1.00 0.00 H new ATOM 897 N ARG A 60 -0.093 -7.053 6.150 1.00 0.00 N ATOM 898 CA ARG A 60 -0.249 -6.296 7.387 1.00 0.00 C ATOM 899 C ARG A 60 0.952 -5.385 7.622 1.00 0.00 C ATOM 900 O ARG A 60 0.802 -4.247 8.066 1.00 0.00 O ATOM 901 CB ARG A 60 -0.422 -7.248 8.572 1.00 0.00 C ATOM 902 CG ARG A 60 -1.324 -6.699 9.665 1.00 0.00 C ATOM 903 CD ARG A 60 -0.833 -7.098 11.048 1.00 0.00 C ATOM 904 NE ARG A 60 -1.917 -7.132 12.026 1.00 0.00 N ATOM 905 CZ ARG A 60 -2.877 -8.052 12.036 1.00 0.00 C ATOM 906 NH1 ARG A 60 -2.893 -9.016 11.124 1.00 0.00 N ATOM 907 NH2 ARG A 60 -3.827 -8.009 12.962 1.00 0.00 N ATOM 0 H ARG A 60 0.011 -8.059 6.282 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.140 -5.675 7.295 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.833 -8.191 8.213 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.557 -7.468 8.997 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.365 -5.612 9.592 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.340 -7.067 9.519 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.361 -8.079 10.996 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -0.069 -6.394 11.378 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.939 -6.407 12.744 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.166 -9.054 10.410 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.632 -9.719 11.137 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.820 -7.270 13.665 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.564 -8.714 12.970 1.00 0.00 H new ATOM 921 N LYS A 61 2.142 -5.894 7.321 1.00 0.00 N ATOM 922 CA LYS A 61 3.368 -5.126 7.500 1.00 0.00 C ATOM 923 C LYS A 61 3.353 -3.865 6.642 1.00 0.00 C ATOM 924 O LYS A 61 3.733 -2.788 7.099 1.00 0.00 O ATOM 925 CB LYS A 61 4.587 -5.982 7.146 1.00 0.00 C ATOM 926 CG LYS A 61 5.913 -5.278 7.380 1.00 0.00 C ATOM 927 CD LYS A 61 6.086 -4.887 8.838 1.00 0.00 C ATOM 928 CE LYS A 61 6.152 -6.110 9.739 1.00 0.00 C ATOM 929 NZ LYS A 61 4.812 -6.483 10.269 1.00 0.00 N ATOM 0 H LYS A 61 2.283 -6.834 6.952 1.00 0.00 H new ATOM 0 HA LYS A 61 3.430 -4.830 8.547 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.562 -6.897 7.737 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.522 -6.277 6.099 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.731 -5.931 7.078 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.969 -4.387 6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.997 -4.300 8.953 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.256 -4.251 9.146 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.568 -6.949 9.182 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.829 -5.912 10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.908 -6.821 11.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.187 -5.652 10.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.404 -7.237 9.681 1.00 0.00 H new ATOM 943 N ILE A 62 2.909 -4.008 5.398 1.00 0.00 N ATOM 944 CA ILE A 62 2.843 -2.879 4.478 1.00 0.00 C ATOM 945 C ILE A 62 1.869 -1.819 4.983 1.00 0.00 C ATOM 946 O ILE A 62 2.156 -0.623 4.934 1.00 0.00 O ATOM 947 CB ILE A 62 2.417 -3.326 3.066 1.00 0.00 C ATOM 948 CG1 ILE A 62 3.310 -4.467 2.577 1.00 0.00 C ATOM 949 CG2 ILE A 62 2.471 -2.153 2.098 1.00 0.00 C ATOM 950 CD1 ILE A 62 2.592 -5.458 1.687 1.00 0.00 C ATOM 0 H ILE A 62 2.590 -4.893 5.004 1.00 0.00 H new ATOM 0 HA ILE A 62 3.845 -2.453 4.425 1.00 0.00 H new ATOM 0 HB ILE A 62 1.390 -3.687 3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.156 -4.048 2.032 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.717 -4.994 3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 62 2.167 -2.486 1.106 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.796 -1.368 2.440 1.00 0.00 H new ATOM 0 HG23 ILE A 62 3.488 -1.764 2.054 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.286 -6.239 1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 62 1.763 -5.905 2.235 1.00 0.00 H new ATOM 0 HD13 ILE A 62 2.209 -4.944 0.806 1.00 0.00 H new ATOM 962 N LEU A 63 0.715 -2.266 5.468 1.00 0.00 N ATOM 963 CA LEU A 63 -0.302 -1.357 5.982 1.00 0.00 C ATOM 964 C LEU A 63 0.240 -0.541 7.151 1.00 0.00 C ATOM 965 O LEU A 63 0.041 0.672 7.220 1.00 0.00 O ATOM 966 CB LEU A 63 -1.541 -2.138 6.421 1.00 0.00 C ATOM 967 CG LEU A 63 -2.270 -2.881 5.301 1.00 0.00 C ATOM 968 CD1 LEU A 63 -3.266 -3.874 5.877 1.00 0.00 C ATOM 969 CD2 LEU A 63 -2.971 -1.895 4.378 1.00 0.00 C ATOM 0 H LEU A 63 0.461 -3.253 5.516 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.579 -0.672 5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.245 -2.860 7.182 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.240 -1.446 6.892 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.533 -3.435 4.719 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.774 -4.392 5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.739 -4.600 6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.000 -3.343 6.484 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.485 -2.440 3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.696 -1.315 4.949 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.235 -1.223 3.937 1.00 0.00 H new ATOM 981 N ASP A 64 0.926 -1.215 8.069 1.00 0.00 N ATOM 982 CA ASP A 64 1.498 -0.553 9.236 1.00 0.00 C ATOM 983 C ASP A 64 2.499 0.518 8.817 1.00 0.00 C ATOM 984 O ASP A 64 2.591 1.575 9.441 1.00 0.00 O ATOM 985 CB ASP A 64 2.179 -1.577 10.146 1.00 0.00 C ATOM 986 CG ASP A 64 2.016 -1.242 11.616 1.00 0.00 C ATOM 987 OD1 ASP A 64 2.524 -0.185 12.043 1.00 0.00 O ATOM 988 OD2 ASP A 64 1.379 -2.038 12.339 1.00 0.00 O ATOM 0 H ASP A 64 1.099 -2.219 8.027 1.00 0.00 H new ATOM 0 HA ASP A 64 0.688 -0.072 9.784 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.762 -2.565 9.953 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.240 -1.626 9.903 1.00 0.00 H new ATOM 993 N LEU A 65 3.250 0.237 7.756 1.00 0.00 N ATOM 994 CA LEU A 65 4.245 1.176 7.253 1.00 0.00 C ATOM 995 C LEU A 65 3.580 2.422 6.680 1.00 0.00 C ATOM 996 O LEU A 65 3.928 3.547 7.042 1.00 0.00 O ATOM 997 CB LEU A 65 5.111 0.508 6.184 1.00 0.00 C ATOM 998 CG LEU A 65 6.011 -0.619 6.691 1.00 0.00 C ATOM 999 CD1 LEU A 65 6.632 -1.374 5.526 1.00 0.00 C ATOM 1000 CD2 LEU A 65 7.092 -0.066 7.608 1.00 0.00 C ATOM 0 H LEU A 65 3.188 -0.634 7.229 1.00 0.00 H new ATOM 0 HA LEU A 65 4.877 1.477 8.088 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.459 0.110 5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.736 1.269 5.717 1.00 0.00 H new ATOM 0 HG LEU A 65 5.399 -1.317 7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.269 -2.172 5.908 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.843 -1.803 4.909 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.230 -0.688 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.723 -0.882 7.960 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.701 0.654 7.060 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.628 0.427 8.462 1.00 0.00 H new ATOM 1012 N VAL A 66 2.620 2.217 5.783 1.00 0.00 N ATOM 1013 CA VAL A 66 1.906 3.325 5.160 1.00 0.00 C ATOM 1014 C VAL A 66 1.200 4.182 6.205 1.00 0.00 C ATOM 1015 O VAL A 66 1.201 5.409 6.119 1.00 0.00 O ATOM 1016 CB VAL A 66 0.868 2.821 4.139 1.00 0.00 C ATOM 1017 CG1 VAL A 66 0.267 3.987 3.368 1.00 0.00 C ATOM 1018 CG2 VAL A 66 1.497 1.812 3.191 1.00 0.00 C ATOM 0 H VAL A 66 2.319 1.293 5.472 1.00 0.00 H new ATOM 0 HA VAL A 66 2.651 3.929 4.642 1.00 0.00 H new ATOM 0 HB VAL A 66 0.065 2.322 4.681 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.464 3.611 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.223 4.669 4.063 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.057 4.517 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.749 1.468 2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.321 2.282 2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.873 0.962 3.761 1.00 0.00 H new ATOM 1028 N GLN A 67 0.597 3.527 7.192 1.00 0.00 N ATOM 1029 CA GLN A 67 -0.112 4.230 8.254 1.00 0.00 C ATOM 1030 C GLN A 67 0.841 5.113 9.054 1.00 0.00 C ATOM 1031 O GLN A 67 0.451 6.165 9.559 1.00 0.00 O ATOM 1032 CB GLN A 67 -0.803 3.230 9.184 1.00 0.00 C ATOM 1033 CG GLN A 67 -1.898 2.424 8.505 1.00 0.00 C ATOM 1034 CD GLN A 67 -2.197 1.125 9.226 1.00 0.00 C ATOM 1035 OE1 GLN A 67 -1.405 0.658 10.045 1.00 0.00 O ATOM 1036 NE2 GLN A 67 -3.347 0.532 8.925 1.00 0.00 N ATOM 0 H GLN A 67 0.585 2.511 7.278 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.866 4.867 7.793 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.056 2.546 9.587 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.231 3.769 10.029 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.807 3.024 8.453 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.601 2.206 7.479 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.974 0.954 8.240 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -3.603 -0.345 9.379 1.00 0.00 H new ATOM 1045 N SER A 68 2.091 4.676 9.164 1.00 0.00 N ATOM 1046 CA SER A 68 3.101 5.426 9.902 1.00 0.00 C ATOM 1047 C SER A 68 3.593 6.619 9.089 1.00 0.00 C ATOM 1048 O SER A 68 3.927 7.666 9.644 1.00 0.00 O ATOM 1049 CB SER A 68 4.278 4.519 10.262 1.00 0.00 C ATOM 1050 OG SER A 68 4.777 4.819 11.554 1.00 0.00 O ATOM 0 H SER A 68 2.429 3.806 8.752 1.00 0.00 H new ATOM 0 HA SER A 68 2.644 5.797 10.819 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.963 3.476 10.224 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.072 4.639 9.525 1.00 0.00 H new ATOM 0 HG SER A 68 5.528 4.224 11.761 1.00 0.00 H new ATOM 1056 N LYS A 69 3.633 6.454 7.771 1.00 0.00 N ATOM 1057 CA LYS A 69 4.083 7.517 6.880 1.00 0.00 C ATOM 1058 C LYS A 69 3.114 8.695 6.906 1.00 0.00 C ATOM 1059 O LYS A 69 3.443 9.771 7.406 1.00 0.00 O ATOM 1060 CB LYS A 69 4.225 6.989 5.453 1.00 0.00 C ATOM 1061 CG LYS A 69 5.328 5.957 5.293 1.00 0.00 C ATOM 1062 CD LYS A 69 5.526 5.573 3.836 1.00 0.00 C ATOM 1063 CE LYS A 69 6.376 4.320 3.700 1.00 0.00 C ATOM 1064 NZ LYS A 69 7.754 4.523 4.227 1.00 0.00 N ATOM 0 H LYS A 69 3.359 5.594 7.296 1.00 0.00 H new ATOM 0 HA LYS A 69 5.056 7.863 7.230 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.278 6.548 5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.422 7.826 4.783 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.260 6.354 5.695 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.083 5.068 5.874 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.556 5.408 3.367 1.00 0.00 H new ATOM 0 HD3 LYS A 69 6.002 6.396 3.303 1.00 0.00 H new ATOM 0 HE2 LYS A 69 5.900 3.499 4.236 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.428 4.029 2.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.321 3.668 4.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.194 5.333 3.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.711 4.709 5.249 1.00 0.00 H new ATOM 1078 N GLY A 70 1.918 8.483 6.367 1.00 0.00 N ATOM 1079 CA GLY A 70 0.920 9.537 6.341 1.00 0.00 C ATOM 1080 C GLY A 70 0.006 9.443 5.134 1.00 0.00 C ATOM 1081 O GLY A 70 0.017 8.443 4.415 1.00 0.00 O ATOM 0 H GLY A 70 1.622 7.601 5.948 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.321 9.488 7.251 1.00 0.00 H new ATOM 0 HA3 GLY A 70 1.420 10.506 6.340 1.00 0.00 H new ATOM 1085 N GLU A 71 -0.788 10.485 4.915 1.00 0.00 N ATOM 1086 CA GLU A 71 -1.714 10.517 3.789 1.00 0.00 C ATOM 1087 C GLU A 71 -0.963 10.618 2.465 1.00 0.00 C ATOM 1088 O GLU A 71 -1.459 10.184 1.425 1.00 0.00 O ATOM 1089 CB GLU A 71 -2.680 11.695 3.931 1.00 0.00 C ATOM 1090 CG GLU A 71 -3.748 11.481 4.992 1.00 0.00 C ATOM 1091 CD GLU A 71 -4.950 12.384 4.799 1.00 0.00 C ATOM 1092 OE1 GLU A 71 -4.823 13.602 5.042 1.00 0.00 O ATOM 1093 OE2 GLU A 71 -6.019 11.872 4.404 1.00 0.00 O ATOM 0 H GLU A 71 -0.809 11.319 5.502 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.281 9.586 3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -2.112 12.593 4.175 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.164 11.875 2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.073 10.441 4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -3.318 11.661 5.977 1.00 0.00 H new ATOM 1100 N GLU A 72 0.235 11.193 2.508 1.00 0.00 N ATOM 1101 CA GLU A 72 1.053 11.350 1.310 1.00 0.00 C ATOM 1102 C GLU A 72 1.292 10.005 0.631 1.00 0.00 C ATOM 1103 O GLU A 72 1.379 9.923 -0.595 1.00 0.00 O ATOM 1104 CB GLU A 72 2.391 12.002 1.662 1.00 0.00 C ATOM 1105 CG GLU A 72 3.095 12.628 0.469 1.00 0.00 C ATOM 1106 CD GLU A 72 4.284 13.479 0.874 1.00 0.00 C ATOM 1107 OE1 GLU A 72 4.284 13.994 2.012 1.00 0.00 O ATOM 1108 OE2 GLU A 72 5.212 13.629 0.054 1.00 0.00 O ATOM 0 H GLU A 72 0.661 11.558 3.360 1.00 0.00 H new ATOM 0 HA GLU A 72 0.514 11.995 0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 72 2.224 12.769 2.418 1.00 0.00 H new ATOM 0 HB3 GLU A 72 3.045 11.252 2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.430 11.840 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.386 13.242 -0.086 1.00 0.00 H new ATOM 1115 N VAL A 73 1.398 8.951 1.435 1.00 0.00 N ATOM 1116 CA VAL A 73 1.626 7.611 0.910 1.00 0.00 C ATOM 1117 C VAL A 73 0.340 6.791 0.922 1.00 0.00 C ATOM 1118 O VAL A 73 0.127 5.940 0.059 1.00 0.00 O ATOM 1119 CB VAL A 73 2.702 6.866 1.721 1.00 0.00 C ATOM 1120 CG1 VAL A 73 3.069 5.553 1.044 1.00 0.00 C ATOM 1121 CG2 VAL A 73 3.933 7.741 1.906 1.00 0.00 C ATOM 0 H VAL A 73 1.330 9.000 2.452 1.00 0.00 H new ATOM 0 HA VAL A 73 1.971 7.728 -0.117 1.00 0.00 H new ATOM 0 HB VAL A 73 2.295 6.638 2.706 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.831 5.041 1.632 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.183 4.922 0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.456 5.754 0.045 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.682 7.198 2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.344 8.002 0.931 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.656 8.651 2.439 1.00 0.00 H new ATOM 1131 N SER A 74 -0.514 7.055 1.905 1.00 0.00 N ATOM 1132 CA SER A 74 -1.780 6.342 2.030 1.00 0.00 C ATOM 1133 C SER A 74 -2.646 6.548 0.791 1.00 0.00 C ATOM 1134 O SER A 74 -3.333 5.631 0.341 1.00 0.00 O ATOM 1135 CB SER A 74 -2.533 6.810 3.276 1.00 0.00 C ATOM 1136 OG SER A 74 -3.378 5.790 3.777 1.00 0.00 O ATOM 0 H SER A 74 -0.353 7.757 2.627 1.00 0.00 H new ATOM 0 HA SER A 74 -1.561 5.279 2.125 1.00 0.00 H new ATOM 0 HB2 SER A 74 -1.820 7.106 4.045 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.126 7.692 3.036 1.00 0.00 H new ATOM 0 HG SER A 74 -4.119 5.643 3.153 1.00 0.00 H new ATOM 1142 N GLU A 75 -2.607 7.757 0.242 1.00 0.00 N ATOM 1143 CA GLU A 75 -3.387 8.084 -0.945 1.00 0.00 C ATOM 1144 C GLU A 75 -2.936 7.250 -2.140 1.00 0.00 C ATOM 1145 O GLU A 75 -3.754 6.636 -2.826 1.00 0.00 O ATOM 1146 CB GLU A 75 -3.260 9.574 -1.271 1.00 0.00 C ATOM 1147 CG GLU A 75 -4.395 10.108 -2.130 1.00 0.00 C ATOM 1148 CD GLU A 75 -4.562 11.609 -2.007 1.00 0.00 C ATOM 1149 OE1 GLU A 75 -5.090 12.066 -0.972 1.00 0.00 O ATOM 1150 OE2 GLU A 75 -4.165 12.329 -2.949 1.00 0.00 O ATOM 0 H GLU A 75 -2.043 8.527 0.601 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.432 7.853 -0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.223 10.139 -0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.314 9.746 -1.785 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.208 9.851 -3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.325 9.618 -1.842 1.00 0.00 H new ATOM 1157 N PHE A 76 -1.630 7.233 -2.384 1.00 0.00 N ATOM 1158 CA PHE A 76 -1.070 6.474 -3.496 1.00 0.00 C ATOM 1159 C PHE A 76 -1.292 4.978 -3.301 1.00 0.00 C ATOM 1160 O PHE A 76 -1.644 4.265 -4.241 1.00 0.00 O ATOM 1161 CB PHE A 76 0.426 6.764 -3.637 1.00 0.00 C ATOM 1162 CG PHE A 76 1.044 6.145 -4.858 1.00 0.00 C ATOM 1163 CD1 PHE A 76 0.833 6.695 -6.113 1.00 0.00 C ATOM 1164 CD2 PHE A 76 1.837 5.014 -4.751 1.00 0.00 C ATOM 1165 CE1 PHE A 76 1.401 6.127 -7.237 1.00 0.00 C ATOM 1166 CE2 PHE A 76 2.408 4.442 -5.872 1.00 0.00 C ATOM 1167 CZ PHE A 76 2.190 5.000 -7.117 1.00 0.00 C ATOM 0 H PHE A 76 -0.940 7.736 -1.827 1.00 0.00 H new ATOM 0 HA PHE A 76 -1.581 6.783 -4.407 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.577 7.843 -3.670 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.944 6.397 -2.751 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.218 7.577 -6.213 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.011 4.574 -3.780 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.228 6.564 -8.209 1.00 0.00 H new ATOM 0 HE2 PHE A 76 3.024 3.560 -5.775 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.636 4.556 -7.995 1.00 0.00 H new ATOM 1177 N PHE A 77 -1.086 4.508 -2.076 1.00 0.00 N ATOM 1178 CA PHE A 77 -1.264 3.096 -1.757 1.00 0.00 C ATOM 1179 C PHE A 77 -2.702 2.657 -2.014 1.00 0.00 C ATOM 1180 O PHE A 77 -2.946 1.584 -2.565 1.00 0.00 O ATOM 1181 CB PHE A 77 -0.890 2.828 -0.299 1.00 0.00 C ATOM 1182 CG PHE A 77 -0.797 1.368 0.040 1.00 0.00 C ATOM 1183 CD1 PHE A 77 0.300 0.620 -0.357 1.00 0.00 C ATOM 1184 CD2 PHE A 77 -1.808 0.743 0.753 1.00 0.00 C ATOM 1185 CE1 PHE A 77 0.387 -0.725 -0.048 1.00 0.00 C ATOM 1186 CE2 PHE A 77 -1.726 -0.600 1.065 1.00 0.00 C ATOM 1187 CZ PHE A 77 -0.627 -1.336 0.665 1.00 0.00 C ATOM 0 H PHE A 77 -0.795 5.085 -1.287 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.605 2.518 -2.405 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.067 3.304 -0.085 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.631 3.296 0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.096 1.093 -0.914 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.670 1.313 1.068 1.00 0.00 H new ATOM 0 HE1 PHE A 77 1.247 -1.298 -0.364 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -2.521 -1.075 1.621 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.561 -2.386 0.909 1.00 0.00 H new ATOM 1197 N LEU A 78 -3.652 3.495 -1.609 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.067 3.195 -1.795 1.00 0.00 C ATOM 1199 C LEU A 78 -5.471 3.352 -3.258 1.00 0.00 C ATOM 1200 O LEU A 78 -6.375 2.668 -3.738 1.00 0.00 O ATOM 1201 CB LEU A 78 -5.922 4.110 -0.915 1.00 0.00 C ATOM 1202 CG LEU A 78 -6.263 3.547 0.465 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.391 4.670 1.483 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -7.547 2.732 0.405 1.00 0.00 C ATOM 0 H LEU A 78 -3.467 4.387 -1.150 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.235 2.159 -1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.398 5.057 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.851 4.330 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.452 2.890 0.779 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.634 4.250 2.459 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.448 5.213 1.546 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.183 5.352 1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.775 2.339 1.396 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.366 3.368 0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.421 1.905 -0.293 1.00 0.00 H new ATOM 1216 N TYR A 79 -4.795 4.255 -3.960 1.00 0.00 N ATOM 1217 CA TYR A 79 -5.086 4.502 -5.368 1.00 0.00 C ATOM 1218 C TYR A 79 -4.809 3.259 -6.208 1.00 0.00 C ATOM 1219 O TYR A 79 -5.568 2.934 -7.121 1.00 0.00 O ATOM 1220 CB TYR A 79 -4.253 5.677 -5.883 1.00 0.00 C ATOM 1221 CG TYR A 79 -4.921 6.451 -6.998 1.00 0.00 C ATOM 1222 CD1 TYR A 79 -4.943 5.957 -8.296 1.00 0.00 C ATOM 1223 CD2 TYR A 79 -5.527 7.676 -6.751 1.00 0.00 C ATOM 1224 CE1 TYR A 79 -5.552 6.662 -9.317 1.00 0.00 C ATOM 1225 CE2 TYR A 79 -6.139 8.386 -7.767 1.00 0.00 C ATOM 1226 CZ TYR A 79 -6.148 7.875 -9.047 1.00 0.00 C ATOM 1227 OH TYR A 79 -6.754 8.580 -10.061 1.00 0.00 O ATOM 0 H TYR A 79 -4.042 4.828 -3.578 1.00 0.00 H new ATOM 0 HA TYR A 79 -6.144 4.749 -5.457 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -4.046 6.355 -5.055 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -3.292 5.303 -6.237 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -4.477 5.007 -8.511 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.520 8.080 -5.750 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.561 6.264 -10.321 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.608 9.336 -7.559 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.126 9.413 -9.703 1.00 0.00 H new ATOM 1237 N LEU A 80 -3.718 2.569 -5.895 1.00 0.00 N ATOM 1238 CA LEU A 80 -3.342 1.362 -6.622 1.00 0.00 C ATOM 1239 C LEU A 80 -4.388 0.267 -6.439 1.00 0.00 C ATOM 1240 O LEU A 80 -4.621 -0.539 -7.340 1.00 0.00 O ATOM 1241 CB LEU A 80 -1.976 0.860 -6.151 1.00 0.00 C ATOM 1242 CG LEU A 80 -0.819 1.839 -6.359 1.00 0.00 C ATOM 1243 CD1 LEU A 80 0.275 1.597 -5.330 1.00 0.00 C ATOM 1244 CD2 LEU A 80 -0.263 1.713 -7.769 1.00 0.00 C ATOM 0 H LEU A 80 -3.078 2.825 -5.143 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.284 1.612 -7.681 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.041 0.618 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.746 -0.067 -6.676 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.197 2.853 -6.227 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.090 2.302 -5.493 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.131 1.736 -4.328 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.651 0.579 -5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.559 2.416 -7.900 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.099 0.697 -7.928 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.049 1.935 -8.491 1.00 0.00 H new ATOM 1256 N LEU A 81 -5.016 0.246 -5.268 1.00 0.00 N ATOM 1257 CA LEU A 81 -6.037 -0.751 -4.966 1.00 0.00 C ATOM 1258 C LEU A 81 -7.200 -0.655 -5.949 1.00 0.00 C ATOM 1259 O LEU A 81 -7.854 -1.652 -6.250 1.00 0.00 O ATOM 1260 CB LEU A 81 -6.548 -0.570 -3.536 1.00 0.00 C ATOM 1261 CG LEU A 81 -5.602 -1.071 -2.442 1.00 0.00 C ATOM 1262 CD1 LEU A 81 -5.994 -0.493 -1.091 1.00 0.00 C ATOM 1263 CD2 LEU A 81 -5.603 -2.591 -2.395 1.00 0.00 C ATOM 0 H LEU A 81 -4.836 0.908 -4.513 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.585 -1.738 -5.062 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.745 0.489 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.501 -1.091 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.592 -0.734 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.310 -0.860 -0.326 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.942 0.595 -1.132 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.011 -0.799 -0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.925 -2.931 -1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.611 -2.948 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.273 -2.985 -3.356 1.00 0.00 H new ATOM 1275 N GLN A 82 -7.452 0.553 -6.444 1.00 0.00 N ATOM 1276 CA GLN A 82 -8.537 0.779 -7.391 1.00 0.00 C ATOM 1277 C GLN A 82 -8.158 0.285 -8.784 1.00 0.00 C ATOM 1278 O GLN A 82 -8.971 -0.320 -9.483 1.00 0.00 O ATOM 1279 CB GLN A 82 -8.894 2.267 -7.442 1.00 0.00 C ATOM 1280 CG GLN A 82 -10.386 2.538 -7.342 1.00 0.00 C ATOM 1281 CD GLN A 82 -11.076 2.505 -8.692 1.00 0.00 C ATOM 1282 OE1 GLN A 82 -10.557 1.940 -9.654 1.00 0.00 O ATOM 1283 NE2 GLN A 82 -12.255 3.112 -8.768 1.00 0.00 N ATOM 0 H GLN A 82 -6.920 1.389 -6.205 1.00 0.00 H new ATOM 0 HA GLN A 82 -9.406 0.215 -7.052 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.384 2.783 -6.628 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.518 2.691 -8.373 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.843 1.797 -6.686 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.544 3.513 -6.881 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.648 3.568 -7.945 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.768 3.122 -9.650 1.00 0.00 H new ATOM 1292 N GLN A 83 -6.918 0.548 -9.182 1.00 0.00 N ATOM 1293 CA GLN A 83 -6.430 0.132 -10.492 1.00 0.00 C ATOM 1294 C GLN A 83 -6.109 -1.360 -10.506 1.00 0.00 C ATOM 1295 O GLN A 83 -6.234 -2.022 -11.535 1.00 0.00 O ATOM 1296 CB GLN A 83 -5.187 0.936 -10.875 1.00 0.00 C ATOM 1297 CG GLN A 83 -5.425 2.437 -10.923 1.00 0.00 C ATOM 1298 CD GLN A 83 -5.033 3.049 -12.255 1.00 0.00 C ATOM 1299 OE1 GLN A 83 -5.545 2.658 -13.304 1.00 0.00 O ATOM 1300 NE2 GLN A 83 -4.120 4.012 -12.218 1.00 0.00 N ATOM 0 H GLN A 83 -6.232 1.048 -8.616 1.00 0.00 H new ATOM 0 HA GLN A 83 -7.217 0.322 -11.222 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.393 0.725 -10.159 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -4.834 0.601 -11.850 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -6.478 2.640 -10.730 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.857 2.917 -10.126 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -3.723 4.304 -11.325 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -3.816 4.460 -13.082 1.00 0.00 H new ATOM 1309 N LEU A 84 -5.694 -1.880 -9.356 1.00 0.00 N ATOM 1310 CA LEU A 84 -5.353 -3.293 -9.235 1.00 0.00 C ATOM 1311 C LEU A 84 -6.586 -4.135 -8.911 1.00 0.00 C ATOM 1312 O LEU A 84 -6.578 -5.353 -9.092 1.00 0.00 O ATOM 1313 CB LEU A 84 -4.290 -3.489 -8.153 1.00 0.00 C ATOM 1314 CG LEU A 84 -2.944 -2.820 -8.440 1.00 0.00 C ATOM 1315 CD1 LEU A 84 -2.198 -2.544 -7.144 1.00 0.00 C ATOM 1316 CD2 LEU A 84 -2.105 -3.690 -9.365 1.00 0.00 C ATOM 0 H LEU A 84 -5.586 -1.345 -8.495 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.956 -3.625 -10.194 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.677 -3.102 -7.210 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.126 -4.558 -8.016 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.131 -1.868 -8.937 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.243 -2.068 -7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.794 -1.883 -6.515 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.021 -3.483 -6.619 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.151 -3.200 -9.559 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.927 -4.656 -8.893 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.635 -3.838 -10.306 1.00 0.00 H new ATOM 1328 N ALA A 85 -7.642 -3.483 -8.433 1.00 0.00 N ATOM 1329 CA ALA A 85 -8.879 -4.177 -8.085 1.00 0.00 C ATOM 1330 C ALA A 85 -9.382 -5.031 -9.247 1.00 0.00 C ATOM 1331 O ALA A 85 -10.037 -6.052 -9.041 1.00 0.00 O ATOM 1332 CB ALA A 85 -9.943 -3.175 -7.662 1.00 0.00 C ATOM 0 H ALA A 85 -7.666 -2.475 -8.278 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.668 -4.843 -7.249 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.860 -3.705 -7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -9.592 -2.616 -6.795 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -10.140 -2.485 -8.483 1.00 0.00 H new ATOM 1338 N ASP A 86 -9.072 -4.605 -10.467 1.00 0.00 N ATOM 1339 CA ASP A 86 -9.494 -5.331 -11.660 1.00 0.00 C ATOM 1340 C ASP A 86 -8.675 -6.605 -11.840 1.00 0.00 C ATOM 1341 O ASP A 86 -9.212 -7.656 -12.192 1.00 0.00 O ATOM 1342 CB ASP A 86 -9.358 -4.444 -12.898 1.00 0.00 C ATOM 1343 CG ASP A 86 -10.636 -3.692 -13.215 1.00 0.00 C ATOM 1344 OD1 ASP A 86 -11.717 -4.315 -13.171 1.00 0.00 O ATOM 1345 OD2 ASP A 86 -10.555 -2.480 -13.508 1.00 0.00 O ATOM 0 H ASP A 86 -8.531 -3.761 -10.656 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.541 -5.608 -11.534 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.549 -3.730 -12.743 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.080 -5.060 -13.754 1.00 0.00 H new ATOM 1350 N ALA A 87 -7.372 -6.505 -11.597 1.00 0.00 N ATOM 1351 CA ALA A 87 -6.479 -7.648 -11.732 1.00 0.00 C ATOM 1352 C ALA A 87 -6.760 -8.697 -10.662 1.00 0.00 C ATOM 1353 O ALA A 87 -6.570 -9.893 -10.887 1.00 0.00 O ATOM 1354 CB ALA A 87 -5.029 -7.194 -11.661 1.00 0.00 C ATOM 0 H ALA A 87 -6.912 -5.643 -11.305 1.00 0.00 H new ATOM 0 HA ALA A 87 -6.659 -8.105 -12.705 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.372 -8.058 -11.763 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.829 -6.488 -12.467 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.846 -6.710 -10.702 1.00 0.00 H new ATOM 1360 N TYR A 88 -7.212 -8.243 -9.499 1.00 0.00 N ATOM 1361 CA TYR A 88 -7.518 -9.144 -8.394 1.00 0.00 C ATOM 1362 C TYR A 88 -8.896 -9.775 -8.570 1.00 0.00 C ATOM 1363 O TYR A 88 -9.776 -9.200 -9.210 1.00 0.00 O ATOM 1364 CB TYR A 88 -7.457 -8.391 -7.063 1.00 0.00 C ATOM 1365 CG TYR A 88 -6.051 -8.197 -6.541 1.00 0.00 C ATOM 1366 CD1 TYR A 88 -5.251 -9.288 -6.225 1.00 0.00 C ATOM 1367 CD2 TYR A 88 -5.525 -6.924 -6.364 1.00 0.00 C ATOM 1368 CE1 TYR A 88 -3.965 -9.115 -5.747 1.00 0.00 C ATOM 1369 CE2 TYR A 88 -4.241 -6.742 -5.887 1.00 0.00 C ATOM 1370 CZ TYR A 88 -3.465 -7.841 -5.580 1.00 0.00 C ATOM 1371 OH TYR A 88 -2.187 -7.664 -5.104 1.00 0.00 O ATOM 0 H TYR A 88 -7.375 -7.257 -9.297 1.00 0.00 H new ATOM 0 HA TYR A 88 -6.772 -9.939 -8.390 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -7.928 -7.416 -7.185 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -8.040 -8.936 -6.320 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -5.640 -10.287 -6.355 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -6.130 -6.062 -6.603 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.355 -9.973 -5.506 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -3.847 -5.745 -5.755 1.00 0.00 H new ATOM 0 HH TYR A 88 -2.121 -8.034 -4.199 1.00 0.00 H new ATOM 1381 N VAL A 89 -9.074 -10.961 -7.998 1.00 0.00 N ATOM 1382 CA VAL A 89 -10.345 -11.671 -8.092 1.00 0.00 C ATOM 1383 C VAL A 89 -11.057 -11.703 -6.743 1.00 0.00 C ATOM 1384 O VAL A 89 -11.802 -12.635 -6.444 1.00 0.00 O ATOM 1385 CB VAL A 89 -10.149 -13.116 -8.589 1.00 0.00 C ATOM 1386 CG1 VAL A 89 -11.488 -13.755 -8.922 1.00 0.00 C ATOM 1387 CG2 VAL A 89 -9.222 -13.145 -9.796 1.00 0.00 C ATOM 0 H VAL A 89 -8.355 -11.451 -7.465 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.957 -11.128 -8.812 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.686 -13.694 -7.789 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -11.328 -14.775 -9.271 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -12.115 -13.771 -8.031 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.982 -13.178 -9.703 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -9.095 -14.174 -10.133 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -9.654 -12.550 -10.601 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.252 -12.732 -9.520 1.00 0.00 H new ATOM 1397 N ASP A 90 -10.822 -10.677 -5.931 1.00 0.00 N ATOM 1398 CA ASP A 90 -11.441 -10.586 -4.614 1.00 0.00 C ATOM 1399 C ASP A 90 -11.742 -9.133 -4.257 1.00 0.00 C ATOM 1400 O ASP A 90 -12.845 -8.807 -3.819 1.00 0.00 O ATOM 1401 CB ASP A 90 -10.529 -11.210 -3.555 1.00 0.00 C ATOM 1402 CG ASP A 90 -11.137 -12.449 -2.926 1.00 0.00 C ATOM 1403 OD1 ASP A 90 -12.237 -12.340 -2.344 1.00 0.00 O ATOM 1404 OD2 ASP A 90 -10.515 -13.527 -3.016 1.00 0.00 O ATOM 0 H ASP A 90 -10.207 -9.897 -6.162 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.381 -11.137 -4.640 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -9.573 -11.469 -4.010 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -10.324 -10.474 -2.777 1.00 0.00 H new ATOM 1409 N LEU A 91 -10.753 -8.265 -4.447 1.00 0.00 N ATOM 1410 CA LEU A 91 -10.912 -6.848 -4.147 1.00 0.00 C ATOM 1411 C LEU A 91 -11.850 -6.183 -5.149 1.00 0.00 C ATOM 1412 O LEU A 91 -11.554 -6.117 -6.342 1.00 0.00 O ATOM 1413 CB LEU A 91 -9.553 -6.147 -4.160 1.00 0.00 C ATOM 1414 CG LEU A 91 -8.628 -6.504 -2.996 1.00 0.00 C ATOM 1415 CD1 LEU A 91 -7.178 -6.224 -3.361 1.00 0.00 C ATOM 1416 CD2 LEU A 91 -9.023 -5.735 -1.745 1.00 0.00 C ATOM 0 H LEU A 91 -9.833 -8.519 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.349 -6.759 -3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.046 -6.389 -5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -9.717 -5.069 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.730 -7.569 -2.790 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.534 -6.484 -2.521 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.900 -6.821 -4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -7.059 -5.166 -3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.354 -6.002 -0.927 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.951 -4.665 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.048 -5.986 -1.472 1.00 0.00 H new ATOM 1428 N ARG A 92 -12.983 -5.690 -4.655 1.00 0.00 N ATOM 1429 CA ARG A 92 -13.963 -5.029 -5.508 1.00 0.00 C ATOM 1430 C ARG A 92 -15.139 -4.505 -4.684 1.00 0.00 C ATOM 1431 O ARG A 92 -15.486 -3.327 -4.767 1.00 0.00 O ATOM 1432 CB ARG A 92 -14.464 -5.991 -6.590 1.00 0.00 C ATOM 1433 CG ARG A 92 -14.364 -5.429 -7.999 1.00 0.00 C ATOM 1434 CD ARG A 92 -14.675 -6.490 -9.043 1.00 0.00 C ATOM 1435 NE ARG A 92 -14.957 -5.905 -10.352 1.00 0.00 N ATOM 1436 CZ ARG A 92 -15.591 -6.547 -11.330 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -16.011 -7.794 -11.152 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -15.808 -5.941 -12.489 1.00 0.00 N ATOM 0 H ARG A 92 -13.244 -5.736 -3.670 1.00 0.00 H new ATOM 0 HA ARG A 92 -13.476 -4.180 -5.988 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.890 -6.916 -6.535 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -15.503 -6.248 -6.383 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -15.056 -4.594 -8.109 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -13.361 -5.036 -8.165 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -13.831 -7.175 -9.126 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -15.532 -7.079 -8.717 1.00 0.00 H new ATOM 0 HE ARG A 92 -14.650 -4.948 -10.526 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -15.848 -8.265 -10.262 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -16.496 -8.281 -11.905 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -15.489 -4.983 -12.631 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -16.294 -6.433 -13.239 1.00 0.00 H new ATOM 1452 N PRO A 93 -15.771 -5.375 -3.874 1.00 0.00 N ATOM 1453 CA PRO A 93 -16.911 -4.985 -3.036 1.00 0.00 C ATOM 1454 C PRO A 93 -16.533 -3.929 -2.004 1.00 0.00 C ATOM 1455 O PRO A 93 -17.364 -3.116 -1.599 1.00 0.00 O ATOM 1456 CB PRO A 93 -17.319 -6.289 -2.337 1.00 0.00 C ATOM 1457 CG PRO A 93 -16.691 -7.379 -3.139 1.00 0.00 C ATOM 1458 CD PRO A 93 -15.430 -6.797 -3.707 1.00 0.00 C ATOM 0 HA PRO A 93 -17.711 -4.540 -3.628 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.969 -6.308 -1.305 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.403 -6.397 -2.308 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -16.475 -8.247 -2.516 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -17.359 -7.714 -3.933 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -14.583 -6.933 -3.034 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -15.162 -7.262 -4.655 1.00 0.00 H new ATOM 1466 N TRP A 94 -15.273 -3.949 -1.578 1.00 0.00 N ATOM 1467 CA TRP A 94 -14.784 -2.996 -0.589 1.00 0.00 C ATOM 1468 C TRP A 94 -14.611 -1.611 -1.204 1.00 0.00 C ATOM 1469 O TRP A 94 -15.292 -0.661 -0.818 1.00 0.00 O ATOM 1470 CB TRP A 94 -13.454 -3.476 -0.005 1.00 0.00 C ATOM 1471 CG TRP A 94 -12.934 -2.598 1.091 1.00 0.00 C ATOM 1472 CD1 TRP A 94 -13.593 -2.229 2.227 1.00 0.00 C ATOM 1473 CD2 TRP A 94 -11.645 -1.977 1.154 1.00 0.00 C ATOM 1474 NE1 TRP A 94 -12.793 -1.417 2.995 1.00 0.00 N ATOM 1475 CE2 TRP A 94 -11.592 -1.247 2.357 1.00 0.00 C ATOM 1476 CE3 TRP A 94 -10.530 -1.968 0.311 1.00 0.00 C ATOM 1477 CZ2 TRP A 94 -10.468 -0.517 2.736 1.00 0.00 C ATOM 1478 CZ3 TRP A 94 -9.415 -1.243 0.689 1.00 0.00 C ATOM 1479 CH2 TRP A 94 -9.391 -0.527 1.892 1.00 0.00 C ATOM 0 H TRP A 94 -14.573 -4.615 -1.903 1.00 0.00 H new ATOM 0 HA TRP A 94 -15.523 -2.928 0.210 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -13.579 -4.488 0.379 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -12.713 -3.527 -0.802 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -14.597 -2.531 2.485 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -13.051 -1.008 3.893 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -10.539 -2.517 -0.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -10.447 0.037 3.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -8.548 -1.229 0.045 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -8.504 0.029 2.159 1.00 0.00 H new ATOM 1490 N LEU A 95 -13.692 -1.503 -2.160 1.00 0.00 N ATOM 1491 CA LEU A 95 -13.426 -0.233 -2.827 1.00 0.00 C ATOM 1492 C LEU A 95 -14.701 0.353 -3.425 1.00 0.00 C ATOM 1493 O LEU A 95 -14.865 1.572 -3.490 1.00 0.00 O ATOM 1494 CB LEU A 95 -12.375 -0.421 -3.923 1.00 0.00 C ATOM 1495 CG LEU A 95 -10.982 -0.808 -3.425 1.00 0.00 C ATOM 1496 CD1 LEU A 95 -10.289 -1.715 -4.429 1.00 0.00 C ATOM 1497 CD2 LEU A 95 -10.147 0.436 -3.162 1.00 0.00 C ATOM 0 H LEU A 95 -13.119 -2.280 -2.490 1.00 0.00 H new ATOM 0 HA LEU A 95 -13.046 0.465 -2.081 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -12.724 -1.190 -4.612 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -12.296 0.505 -4.492 1.00 0.00 H new ATOM 0 HG LEU A 95 -11.090 -1.354 -2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -9.299 -1.980 -4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -10.879 -2.621 -4.568 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -10.192 -1.195 -5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.159 0.143 -2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.047 1.009 -4.084 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.636 1.049 -2.405 1.00 0.00 H new ATOM 1509 N LEU A 96 -15.601 -0.521 -3.861 1.00 0.00 N ATOM 1510 CA LEU A 96 -16.861 -0.088 -4.454 1.00 0.00 C ATOM 1511 C LEU A 96 -17.816 0.434 -3.384 1.00 0.00 C ATOM 1512 O LEU A 96 -18.644 1.306 -3.650 1.00 0.00 O ATOM 1513 CB LEU A 96 -17.513 -1.242 -5.218 1.00 0.00 C ATOM 1514 CG LEU A 96 -16.954 -1.487 -6.619 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -17.408 -2.840 -7.146 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -17.380 -0.374 -7.564 1.00 0.00 C ATOM 0 H LEU A 96 -15.482 -1.533 -3.815 1.00 0.00 H new ATOM 0 HA LEU A 96 -16.646 0.723 -5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.400 -2.155 -4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -18.582 -1.046 -5.299 1.00 0.00 H new ATOM 0 HG LEU A 96 -15.866 -1.490 -6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.000 -2.997 -8.145 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.053 -3.627 -6.481 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -18.497 -2.866 -7.190 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.973 -0.564 -8.557 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -18.468 -0.339 -7.618 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -17.004 0.580 -7.195 1.00 0.00 H new ATOM 1528 N GLU A 97 -17.696 -0.105 -2.175 1.00 0.00 N ATOM 1529 CA GLU A 97 -18.550 0.308 -1.067 1.00 0.00 C ATOM 1530 C GLU A 97 -18.092 1.646 -0.496 1.00 0.00 C ATOM 1531 O GLU A 97 -18.880 2.584 -0.380 1.00 0.00 O ATOM 1532 CB GLU A 97 -18.544 -0.758 0.032 1.00 0.00 C ATOM 1533 CG GLU A 97 -19.681 -1.759 -0.087 1.00 0.00 C ATOM 1534 CD GLU A 97 -20.273 -2.130 1.259 1.00 0.00 C ATOM 1535 OE1 GLU A 97 -19.546 -2.719 2.086 1.00 0.00 O ATOM 1536 OE2 GLU A 97 -21.465 -1.831 1.486 1.00 0.00 O ATOM 0 H GLU A 97 -17.017 -0.828 -1.938 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.565 0.424 -1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.595 -1.293 0.003 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.603 -0.267 1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -20.463 -1.342 -0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -19.317 -2.660 -0.581 1.00 0.00 H new ATOM 1543 N ILE A 98 -16.813 1.727 -0.141 1.00 0.00 N ATOM 1544 CA ILE A 98 -16.251 2.951 0.417 1.00 0.00 C ATOM 1545 C ILE A 98 -16.396 4.117 -0.554 1.00 0.00 C ATOM 1546 O ILE A 98 -16.511 5.271 -0.141 1.00 0.00 O ATOM 1547 CB ILE A 98 -14.762 2.774 0.772 1.00 0.00 C ATOM 1548 CG1 ILE A 98 -13.977 2.290 -0.449 1.00 0.00 C ATOM 1549 CG2 ILE A 98 -14.605 1.801 1.930 1.00 0.00 C ATOM 1550 CD1 ILE A 98 -12.489 2.550 -0.353 1.00 0.00 C ATOM 0 H ILE A 98 -16.147 0.959 -0.230 1.00 0.00 H new ATOM 0 HA ILE A 98 -16.811 3.169 1.327 1.00 0.00 H new ATOM 0 HB ILE A 98 -14.360 3.740 1.078 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -14.143 1.220 -0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -14.367 2.782 -1.340 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -13.548 1.687 2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -15.134 2.185 2.802 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -15.020 0.833 1.651 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -11.996 2.181 -1.253 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -12.312 3.621 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -12.085 2.035 0.519 1.00 0.00 H new ATOM 1562 N GLY A 99 -16.390 3.809 -1.847 1.00 0.00 N ATOM 1563 CA GLY A 99 -16.522 4.844 -2.856 1.00 0.00 C ATOM 1564 C GLY A 99 -15.277 5.701 -2.974 1.00 0.00 C ATOM 1565 O GLY A 99 -15.350 6.927 -2.896 1.00 0.00 O ATOM 0 H GLY A 99 -16.296 2.862 -2.214 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -16.734 4.382 -3.820 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.374 5.478 -2.612 1.00 0.00 H new ATOM 1569 N PHE A 100 -14.132 5.055 -3.163 1.00 0.00 N ATOM 1570 CA PHE A 100 -12.865 5.766 -3.292 1.00 0.00 C ATOM 1571 C PHE A 100 -12.842 6.610 -4.562 1.00 0.00 C ATOM 1572 O PHE A 100 -13.061 6.100 -5.662 1.00 0.00 O ATOM 1573 CB PHE A 100 -11.699 4.776 -3.303 1.00 0.00 C ATOM 1574 CG PHE A 100 -10.351 5.437 -3.354 1.00 0.00 C ATOM 1575 CD1 PHE A 100 -9.710 5.826 -2.189 1.00 0.00 C ATOM 1576 CD2 PHE A 100 -9.725 5.670 -4.569 1.00 0.00 C ATOM 1577 CE1 PHE A 100 -8.470 6.434 -2.234 1.00 0.00 C ATOM 1578 CE2 PHE A 100 -8.485 6.278 -4.620 1.00 0.00 C ATOM 1579 CZ PHE A 100 -7.856 6.660 -3.451 1.00 0.00 C ATOM 0 H PHE A 100 -14.055 4.040 -3.230 1.00 0.00 H new ATOM 0 HA PHE A 100 -12.761 6.430 -2.434 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -11.755 4.151 -2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -11.803 4.114 -4.163 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -10.185 5.652 -1.235 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -10.212 5.373 -5.486 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -7.981 6.732 -1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -8.008 6.454 -5.573 1.00 0.00 H new ATOM 0 HZ PHE A 100 -6.886 7.134 -3.488 1.00 0.00 H new