USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 973 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 79 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-0.84) USER MOD Set 1.2: A 81 THR OG1 : rot -160:sc= -0.0145 USER MOD Set 2.1: A 73 TYR OH : rot -130:sc= -3.89! USER MOD Set 2.2: A 119 ASN : amide:sc= -3.24 X(o=-7.1,f=-6.8!) USER MOD Set 3.1: A 15 ASN : amide:sc= -2.19 K(o=-4.5,f=-6!) USER MOD Set 3.2: A 16 ASN : amide:sc= -2.31 K(o=-4.5,f=-7.4!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 13 ASN : amide:sc= -3.19! C(o=-3.2!,f=-7.5!) USER MOD Single : A 21 THR OG1 : rot 49:sc= 0.831 USER MOD Single : A 31 ASN : amide:sc= -1.91 K(o=-1.9,f=-4.7!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 150:sc= -1.16 (180deg=-2.53!) USER MOD Single : A 42 MET CE :methyl 174:sc= 0 (180deg=-0.00683) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.54) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0141 USER MOD Single : A 63 GLN : amide:sc= -0.925 K(o=-0.92,f=-1.7!) USER MOD Single : A 64 HIS : no HE2:sc= -18.2! C(o=-18!,f=-25!) USER MOD Single : A 66 SER OG : rot -81:sc= -0.636 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -1.49 K(o=-1.5,f=-4!) USER MOD Single : A 105 MET CE :methyl -117:sc= -0.949 (180deg=-2.13!) USER MOD Single : A 106 SER OG : rot 36:sc= 0.258 USER MOD Single : A 111 ASN : amide:sc= -0.0213 X(o=-0.021,f=-0.26) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ -116:sc= -0.0342 (180deg=-0.403) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -21.937 -6.088 -4.089 1.00 0.00 N ATOM 21 CA LYS A 2 -20.851 -5.198 -4.481 1.00 0.00 C ATOM 22 C LYS A 2 -19.522 -5.668 -3.897 1.00 0.00 C ATOM 23 O LYS A 2 -19.456 -6.085 -2.740 1.00 0.00 O ATOM 24 CB LYS A 2 -21.145 -3.767 -4.024 1.00 0.00 C ATOM 25 CG LYS A 2 -20.681 -2.708 -5.009 1.00 0.00 C ATOM 26 CD LYS A 2 -21.227 -1.335 -4.648 1.00 0.00 C ATOM 27 CE LYS A 2 -20.239 -0.547 -3.804 1.00 0.00 C ATOM 28 NZ LYS A 2 -20.918 0.483 -2.972 1.00 0.00 N ATOM 0 HA LYS A 2 -20.775 -5.217 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -22.218 -3.658 -3.865 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.661 -3.595 -3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.592 -2.675 -5.024 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -21.005 -2.977 -6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.452 -0.781 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -22.164 -1.447 -4.103 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -19.688 -1.230 -3.158 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -19.509 -0.065 -4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -20.210 0.999 -2.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -21.423 1.150 -3.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -21.596 0.021 -2.333 1.00 0.00 H new ATOM 42 N LYS A 3 -18.469 -5.599 -4.703 1.00 0.00 N ATOM 43 CA LYS A 3 -17.143 -6.018 -4.266 1.00 0.00 C ATOM 44 C LYS A 3 -16.072 -5.066 -4.788 1.00 0.00 C ATOM 45 O LYS A 3 -16.185 -4.532 -5.892 1.00 0.00 O ATOM 46 CB LYS A 3 -16.851 -7.442 -4.741 1.00 0.00 C ATOM 47 CG LYS A 3 -16.951 -7.614 -6.247 1.00 0.00 C ATOM 48 CD LYS A 3 -15.581 -7.569 -6.906 1.00 0.00 C ATOM 49 CE LYS A 3 -15.678 -7.160 -8.367 1.00 0.00 C ATOM 50 NZ LYS A 3 -16.000 -8.318 -9.248 1.00 0.00 N ATOM 0 H LYS A 3 -18.508 -5.257 -5.663 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.124 -5.996 -3.176 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.850 -7.726 -4.417 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.548 -8.127 -4.259 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -17.434 -8.564 -6.474 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.582 -6.828 -6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -14.942 -6.866 -6.372 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -15.108 -8.548 -6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.445 -6.394 -8.479 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -14.734 -6.715 -8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -16.057 -7.997 -10.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -15.255 -9.038 -9.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -16.913 -8.727 -8.963 1.00 0.00 H new ATOM 64 N LEU A 4 -15.033 -4.855 -3.987 1.00 0.00 N ATOM 65 CA LEU A 4 -13.942 -3.966 -4.367 1.00 0.00 C ATOM 66 C LEU A 4 -12.610 -4.469 -3.819 1.00 0.00 C ATOM 67 O LEU A 4 -12.453 -4.651 -2.611 1.00 0.00 O ATOM 68 CB LEU A 4 -14.215 -2.548 -3.863 1.00 0.00 C ATOM 69 CG LEU A 4 -14.176 -2.381 -2.342 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.767 -2.044 -1.876 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.160 -1.306 -1.902 1.00 0.00 C ATOM 0 H LEU A 4 -14.924 -5.288 -3.070 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.880 -3.952 -5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.482 -1.874 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.195 -2.234 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.469 -3.325 -1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.760 -1.929 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.088 -2.848 -2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.443 -1.113 -2.342 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.121 -1.199 -0.818 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.896 -0.358 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.168 -1.591 -2.202 1.00 0.00 H new ATOM 83 N GLN A 5 -11.655 -4.697 -4.715 1.00 0.00 N ATOM 84 CA GLN A 5 -10.339 -5.186 -4.323 1.00 0.00 C ATOM 85 C GLN A 5 -9.299 -4.079 -4.328 1.00 0.00 C ATOM 86 O GLN A 5 -9.361 -3.146 -5.128 1.00 0.00 O ATOM 87 CB GLN A 5 -9.885 -6.298 -5.259 1.00 0.00 C ATOM 88 CG GLN A 5 -10.926 -7.380 -5.436 1.00 0.00 C ATOM 89 CD GLN A 5 -10.369 -8.633 -6.083 1.00 0.00 C ATOM 90 OE1 GLN A 5 -9.292 -8.613 -6.679 1.00 0.00 O ATOM 91 NE2 GLN A 5 -11.103 -9.734 -5.970 1.00 0.00 N ATOM 0 H GLN A 5 -11.769 -4.551 -5.718 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.431 -5.569 -3.307 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.643 -5.871 -6.232 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.969 -6.742 -4.870 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.347 -7.635 -4.463 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.743 -6.995 -6.046 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.990 -9.706 -5.467 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.780 -10.607 -6.386 1.00 0.00 H new ATOM 100 N ILE A 6 -8.335 -4.211 -3.432 1.00 0.00 N ATOM 101 CA ILE A 6 -7.249 -3.254 -3.310 1.00 0.00 C ATOM 102 C ILE A 6 -5.970 -3.973 -2.891 1.00 0.00 C ATOM 103 O ILE A 6 -5.974 -4.754 -1.940 1.00 0.00 O ATOM 104 CB ILE A 6 -7.591 -2.149 -2.290 1.00 0.00 C ATOM 105 CG1 ILE A 6 -8.728 -1.273 -2.818 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.368 -1.301 -1.984 1.00 0.00 C ATOM 107 CD1 ILE A 6 -8.387 -0.549 -4.102 1.00 0.00 C ATOM 0 H ILE A 6 -8.284 -4.985 -2.769 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.099 -2.783 -4.281 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.916 -2.625 -1.365 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.608 -1.895 -2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.994 -0.540 -2.057 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.632 -0.528 -1.262 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.582 -1.932 -1.568 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.010 -0.834 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.239 0.053 -4.418 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.526 0.099 -3.937 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.149 -1.277 -4.878 1.00 0.00 H new ATOM 119 N ALA A 7 -4.879 -3.709 -3.598 1.00 0.00 N ATOM 120 CA ALA A 7 -3.603 -4.341 -3.280 1.00 0.00 C ATOM 121 C ALA A 7 -2.538 -3.288 -3.045 1.00 0.00 C ATOM 122 O ALA A 7 -2.303 -2.446 -3.901 1.00 0.00 O ATOM 123 CB ALA A 7 -3.183 -5.275 -4.404 1.00 0.00 C ATOM 0 H ALA A 7 -4.850 -3.067 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.721 -4.925 -2.367 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.229 -5.740 -4.154 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.940 -6.048 -4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.078 -4.707 -5.329 1.00 0.00 H new ATOM 129 N VAL A 8 -1.896 -3.338 -1.885 1.00 0.00 N ATOM 130 CA VAL A 8 -0.862 -2.364 -1.552 1.00 0.00 C ATOM 131 C VAL A 8 0.490 -3.024 -1.331 1.00 0.00 C ATOM 132 O VAL A 8 0.583 -4.232 -1.119 1.00 0.00 O ATOM 133 CB VAL A 8 -1.235 -1.528 -0.303 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.727 -1.611 -0.011 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.423 -1.965 0.911 1.00 0.00 C ATOM 0 H VAL A 8 -2.070 -4.037 -1.163 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.790 -1.697 -2.411 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.991 -0.487 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.959 -1.014 0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.287 -1.229 -0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.005 -2.649 0.170 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.705 -1.362 1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.622 -3.016 1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.639 -1.831 0.706 1.00 0.00 H new ATOM 145 N GLY A 9 1.535 -2.208 -1.375 1.00 0.00 N ATOM 146 CA GLY A 9 2.875 -2.705 -1.171 1.00 0.00 C ATOM 147 C GLY A 9 3.795 -1.658 -0.573 1.00 0.00 C ATOM 148 O GLY A 9 4.121 -0.665 -1.224 1.00 0.00 O ATOM 0 H GLY A 9 1.474 -1.205 -1.550 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.841 -3.573 -0.513 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.283 -3.042 -2.124 1.00 0.00 H new ATOM 152 N ILE A 10 4.224 -1.887 0.663 1.00 0.00 N ATOM 153 CA ILE A 10 5.125 -0.961 1.345 1.00 0.00 C ATOM 154 C ILE A 10 6.508 -1.035 0.703 1.00 0.00 C ATOM 155 O ILE A 10 7.226 -2.017 0.879 1.00 0.00 O ATOM 156 CB ILE A 10 5.238 -1.285 2.855 1.00 0.00 C ATOM 157 CG1 ILE A 10 3.925 -1.870 3.385 1.00 0.00 C ATOM 158 CG2 ILE A 10 5.611 -0.039 3.642 1.00 0.00 C ATOM 159 CD1 ILE A 10 3.946 -3.376 3.525 1.00 0.00 C ATOM 0 H ILE A 10 3.964 -2.705 1.214 1.00 0.00 H new ATOM 0 HA ILE A 10 4.716 0.045 1.246 1.00 0.00 H new ATOM 0 HB ILE A 10 6.025 -2.028 2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.705 -1.426 4.356 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.114 -1.587 2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.686 -0.286 4.701 1.00 0.00 H new ATOM 0 HG22 ILE A 10 6.570 0.341 3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.845 0.723 3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.984 -3.720 3.905 1.00 0.00 H new ATOM 0 HD12 ILE A 10 4.135 -3.829 2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.735 -3.666 4.219 1.00 0.00 H new ATOM 171 N ILE A 11 6.856 -0.010 -0.075 1.00 0.00 N ATOM 172 CA ILE A 11 8.137 0.017 -0.786 1.00 0.00 C ATOM 173 C ILE A 11 9.323 0.232 0.149 1.00 0.00 C ATOM 174 O ILE A 11 9.381 1.212 0.886 1.00 0.00 O ATOM 175 CB ILE A 11 8.165 1.109 -1.874 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.779 1.291 -2.503 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.192 0.750 -2.939 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.804 2.034 -3.821 1.00 0.00 C ATOM 0 H ILE A 11 6.271 0.811 -0.230 1.00 0.00 H new ATOM 0 HA ILE A 11 8.230 -0.965 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 11 8.449 2.054 -1.411 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.328 0.311 -2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.140 1.830 -1.804 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.208 1.525 -3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.178 0.672 -2.482 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.926 -0.204 -3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.789 2.125 -4.207 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.226 3.028 -3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.416 1.485 -4.537 1.00 0.00 H new ATOM 190 N ARG A 12 10.276 -0.697 0.096 1.00 0.00 N ATOM 191 CA ARG A 12 11.475 -0.624 0.924 1.00 0.00 C ATOM 192 C ARG A 12 12.551 0.235 0.272 1.00 0.00 C ATOM 193 O ARG A 12 12.925 0.017 -0.884 1.00 0.00 O ATOM 194 CB ARG A 12 12.025 -2.023 1.193 1.00 0.00 C ATOM 195 CG ARG A 12 11.790 -2.492 2.618 1.00 0.00 C ATOM 196 CD ARG A 12 13.100 -2.708 3.361 1.00 0.00 C ATOM 197 NE ARG A 12 12.932 -2.595 4.809 1.00 0.00 N ATOM 198 CZ ARG A 12 12.302 -3.500 5.554 1.00 0.00 C ATOM 199 NH1 ARG A 12 11.778 -4.584 4.993 1.00 0.00 N ATOM 200 NH2 ARG A 12 12.195 -3.323 6.864 1.00 0.00 N ATOM 0 H ARG A 12 10.239 -1.512 -0.516 1.00 0.00 H new ATOM 0 HA ARG A 12 11.193 -0.160 1.869 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.561 -2.728 0.504 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.095 -2.032 0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.187 -1.755 3.149 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.220 -3.421 2.606 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.497 -3.694 3.118 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.834 -1.976 3.023 1.00 0.00 H new ATOM 0 HE ARG A 12 13.320 -1.775 5.275 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.857 -4.726 3.986 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.296 -5.274 5.569 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.596 -2.493 7.301 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.712 -4.017 7.435 1.00 0.00 H new ATOM 214 N ASN A 13 13.035 1.212 1.034 1.00 0.00 N ATOM 215 CA ASN A 13 14.067 2.138 0.575 1.00 0.00 C ATOM 216 C ASN A 13 15.422 1.461 0.433 1.00 0.00 C ATOM 217 O ASN A 13 15.588 0.277 0.727 1.00 0.00 O ATOM 218 CB ASN A 13 14.163 3.321 1.538 1.00 0.00 C ATOM 219 CG ASN A 13 15.277 4.302 1.224 1.00 0.00 C ATOM 220 OD1 ASN A 13 16.400 4.158 1.707 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.969 5.308 0.413 1.00 0.00 N ATOM 0 H ASN A 13 12.722 1.385 1.989 1.00 0.00 H new ATOM 0 HA ASN A 13 13.780 2.493 -0.415 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.213 3.856 1.532 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.307 2.939 2.549 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.677 6.000 0.168 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.025 5.388 0.036 1.00 0.00 H new ATOM 228 N GLU A 14 16.376 2.245 -0.032 1.00 0.00 N ATOM 229 CA GLU A 14 17.743 1.794 -0.250 1.00 0.00 C ATOM 230 C GLU A 14 18.375 1.218 1.016 1.00 0.00 C ATOM 231 O GLU A 14 19.373 0.502 0.948 1.00 0.00 O ATOM 232 CB GLU A 14 18.580 2.967 -0.770 1.00 0.00 C ATOM 233 CG GLU A 14 20.082 2.717 -0.754 1.00 0.00 C ATOM 234 CD GLU A 14 20.818 3.534 -1.798 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.317 3.635 -2.937 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.898 4.074 -1.475 1.00 0.00 O ATOM 0 H GLU A 14 16.225 3.225 -0.273 1.00 0.00 H new ATOM 0 HA GLU A 14 17.719 0.990 -0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.272 3.195 -1.790 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.363 3.849 -0.167 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.476 2.956 0.234 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.273 1.658 -0.926 1.00 0.00 H new ATOM 243 N ASN A 15 17.802 1.537 2.165 1.00 0.00 N ATOM 244 CA ASN A 15 18.329 1.050 3.436 1.00 0.00 C ATOM 245 C ASN A 15 17.286 0.225 4.188 1.00 0.00 C ATOM 246 O ASN A 15 17.294 -1.005 4.124 1.00 0.00 O ATOM 247 CB ASN A 15 18.805 2.229 4.294 1.00 0.00 C ATOM 248 CG ASN A 15 19.288 1.800 5.666 1.00 0.00 C ATOM 249 OD1 ASN A 15 19.031 2.474 6.665 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.997 0.678 5.724 1.00 0.00 N ATOM 0 H ASN A 15 16.975 2.128 2.247 1.00 0.00 H new ATOM 0 HA ASN A 15 19.178 0.399 3.227 1.00 0.00 H new ATOM 0 HB2 ASN A 15 19.612 2.747 3.776 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.989 2.942 4.408 1.00 0.00 H new ATOM 0 HD21 ASN A 15 20.351 0.344 6.620 1.00 0.00 H new ATOM 0 HD22 ASN A 15 20.187 0.150 4.872 1.00 0.00 H new ATOM 257 N ASN A 16 16.396 0.903 4.903 1.00 0.00 N ATOM 258 CA ASN A 16 15.352 0.222 5.667 1.00 0.00 C ATOM 259 C ASN A 16 14.144 1.128 5.901 1.00 0.00 C ATOM 260 O ASN A 16 13.293 0.834 6.742 1.00 0.00 O ATOM 261 CB ASN A 16 15.904 -0.267 7.008 1.00 0.00 C ATOM 262 CG ASN A 16 16.795 0.757 7.684 1.00 0.00 C ATOM 263 OD1 ASN A 16 18.001 0.550 7.824 1.00 0.00 O ATOM 264 ND2 ASN A 16 16.206 1.868 8.108 1.00 0.00 N ATOM 0 H ASN A 16 16.374 1.920 4.971 1.00 0.00 H new ATOM 0 HA ASN A 16 15.023 -0.635 5.079 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.074 -0.513 7.670 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.469 -1.186 6.850 1.00 0.00 H new ATOM 0 HD21 ASN A 16 16.756 2.592 8.571 1.00 0.00 H new ATOM 0 HD22 ASN A 16 15.204 1.998 7.971 1.00 0.00 H new ATOM 271 N GLU A 17 14.064 2.219 5.147 1.00 0.00 N ATOM 272 CA GLU A 17 12.950 3.150 5.266 1.00 0.00 C ATOM 273 C GLU A 17 11.960 2.903 4.137 1.00 0.00 C ATOM 274 O GLU A 17 12.309 2.294 3.135 1.00 0.00 O ATOM 275 CB GLU A 17 13.452 4.595 5.222 1.00 0.00 C ATOM 276 CG GLU A 17 14.626 4.860 6.148 1.00 0.00 C ATOM 277 CD GLU A 17 15.594 5.882 5.585 1.00 0.00 C ATOM 278 OE1 GLU A 17 15.923 5.789 4.383 1.00 0.00 O ATOM 279 OE2 GLU A 17 16.024 6.775 6.344 1.00 0.00 O ATOM 0 H GLU A 17 14.758 2.480 4.447 1.00 0.00 H new ATOM 0 HA GLU A 17 12.453 2.990 6.223 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.744 4.838 4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.633 5.263 5.487 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.253 5.210 7.110 1.00 0.00 H new ATOM 0 HG3 GLU A 17 15.156 3.926 6.333 1.00 0.00 H new ATOM 286 N ILE A 18 10.729 3.358 4.297 1.00 0.00 N ATOM 287 CA ILE A 18 9.721 3.152 3.266 1.00 0.00 C ATOM 288 C ILE A 18 8.872 4.401 3.053 1.00 0.00 C ATOM 289 O ILE A 18 8.512 5.093 4.005 1.00 0.00 O ATOM 290 CB ILE A 18 8.812 1.955 3.612 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.609 0.648 3.558 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.613 1.891 2.673 1.00 0.00 C ATOM 293 CD1 ILE A 18 9.511 -0.173 4.825 1.00 0.00 C ATOM 0 H ILE A 18 10.404 3.867 5.119 1.00 0.00 H new ATOM 0 HA ILE A 18 10.252 2.936 2.339 1.00 0.00 H new ATOM 0 HB ILE A 18 8.438 2.093 4.626 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.254 0.050 2.719 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.657 0.879 3.364 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.988 1.038 2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.032 2.809 2.762 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.961 1.780 1.646 1.00 0.00 H new ATOM 0 HD11 ILE A 18 10.100 -1.084 4.715 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.894 0.407 5.665 1.00 0.00 H new ATOM 0 HD13 ILE A 18 8.469 -0.435 5.009 1.00 0.00 H new ATOM 305 N PHE A 19 8.555 4.673 1.792 1.00 0.00 N ATOM 306 CA PHE A 19 7.743 5.826 1.436 1.00 0.00 C ATOM 307 C PHE A 19 6.261 5.454 1.438 1.00 0.00 C ATOM 308 O PHE A 19 5.818 4.618 0.650 1.00 0.00 O ATOM 309 CB PHE A 19 8.177 6.369 0.062 1.00 0.00 C ATOM 310 CG PHE A 19 7.099 6.359 -0.991 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.883 5.233 -1.769 1.00 0.00 C ATOM 312 CD2 PHE A 19 6.306 7.476 -1.199 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.896 5.221 -2.735 1.00 0.00 C ATOM 314 CE2 PHE A 19 5.317 7.469 -2.165 1.00 0.00 C ATOM 315 CZ PHE A 19 5.111 6.340 -2.934 1.00 0.00 C ATOM 0 H PHE A 19 8.851 4.106 0.997 1.00 0.00 H new ATOM 0 HA PHE A 19 7.892 6.611 2.178 1.00 0.00 H new ATOM 0 HB2 PHE A 19 8.533 7.391 0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.021 5.779 -0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.493 4.355 -1.618 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.462 8.361 -0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.738 4.337 -3.335 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.706 8.346 -2.318 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.338 6.332 -3.689 1.00 0.00 H new ATOM 325 N ILE A 20 5.501 6.078 2.328 1.00 0.00 N ATOM 326 CA ILE A 20 4.070 5.812 2.428 1.00 0.00 C ATOM 327 C ILE A 20 3.270 7.043 2.016 1.00 0.00 C ATOM 328 O ILE A 20 3.471 8.132 2.556 1.00 0.00 O ATOM 329 CB ILE A 20 3.643 5.398 3.859 1.00 0.00 C ATOM 330 CG1 ILE A 20 4.857 5.259 4.786 1.00 0.00 C ATOM 331 CG2 ILE A 20 2.850 4.099 3.819 1.00 0.00 C ATOM 332 CD1 ILE A 20 5.750 4.084 4.451 1.00 0.00 C ATOM 0 H ILE A 20 5.850 6.771 2.990 1.00 0.00 H new ATOM 0 HA ILE A 20 3.862 4.980 1.755 1.00 0.00 H new ATOM 0 HB ILE A 20 3.007 6.186 4.261 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.445 6.175 4.739 1.00 0.00 H new ATOM 0 HG13 ILE A 20 4.508 5.157 5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.557 3.820 4.831 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.958 4.236 3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.467 3.309 3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.586 4.052 5.150 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.178 3.159 4.527 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.130 4.194 3.435 1.00 0.00 H new ATOM 344 N THR A 21 2.364 6.869 1.061 1.00 0.00 N ATOM 345 CA THR A 21 1.539 7.974 0.589 1.00 0.00 C ATOM 346 C THR A 21 0.448 8.298 1.605 1.00 0.00 C ATOM 347 O THR A 21 -0.472 7.509 1.815 1.00 0.00 O ATOM 348 CB THR A 21 0.911 7.631 -0.763 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.165 6.723 -0.601 1.00 0.00 O ATOM 350 CG2 THR A 21 1.889 7.014 -1.740 1.00 0.00 C ATOM 0 H THR A 21 2.183 5.977 0.600 1.00 0.00 H new ATOM 0 HA THR A 21 2.176 8.850 0.468 1.00 0.00 H new ATOM 0 HB THR A 21 0.568 8.582 -1.170 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.761 7.046 0.107 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.378 6.796 -2.678 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.706 7.711 -1.926 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.288 6.090 -1.321 1.00 0.00 H new ATOM 358 N ARG A 22 0.552 9.464 2.233 1.00 0.00 N ATOM 359 CA ARG A 22 -0.430 9.881 3.223 1.00 0.00 C ATOM 360 C ARG A 22 -1.459 10.792 2.579 1.00 0.00 C ATOM 361 O ARG A 22 -1.282 11.219 1.439 1.00 0.00 O ATOM 362 CB ARG A 22 0.266 10.605 4.380 1.00 0.00 C ATOM 363 CG ARG A 22 -0.624 10.833 5.590 1.00 0.00 C ATOM 364 CD ARG A 22 0.190 11.208 6.818 1.00 0.00 C ATOM 365 NE ARG A 22 1.039 12.372 6.578 1.00 0.00 N ATOM 366 CZ ARG A 22 2.064 12.715 7.354 1.00 0.00 C ATOM 367 NH1 ARG A 22 2.369 11.989 8.421 1.00 0.00 N ATOM 368 NH2 ARG A 22 2.785 13.789 7.063 1.00 0.00 N ATOM 0 H ARG A 22 1.304 10.134 2.074 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.936 8.999 3.615 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.137 10.026 4.686 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.633 11.568 4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.341 11.625 5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.199 9.930 5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.483 11.416 7.650 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.810 10.362 7.114 1.00 0.00 H new ATOM 0 HE ARG A 22 0.834 12.957 5.768 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.817 11.163 8.651 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.156 12.257 9.012 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.554 14.352 6.244 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.571 14.052 7.658 1.00 0.00 H new ATOM 493 N ASN A 31 -5.787 11.443 8.719 1.00 0.00 N ATOM 494 CA ASN A 31 -5.516 10.229 9.481 1.00 0.00 C ATOM 495 C ASN A 31 -5.750 8.975 8.638 1.00 0.00 C ATOM 496 O ASN A 31 -6.096 7.919 9.169 1.00 0.00 O ATOM 497 CB ASN A 31 -6.397 10.191 10.732 1.00 0.00 C ATOM 498 CG ASN A 31 -5.604 10.409 12.005 1.00 0.00 C ATOM 499 OD1 ASN A 31 -4.434 10.793 11.964 1.00 0.00 O ATOM 500 ND2 ASN A 31 -6.237 10.165 13.146 1.00 0.00 N ATOM 0 HA ASN A 31 -4.467 10.244 9.775 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -7.169 10.956 10.653 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -6.906 9.229 10.785 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -5.754 10.294 14.035 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.207 9.848 13.134 1.00 0.00 H new ATOM 507 N LYS A 32 -5.555 9.091 7.328 1.00 0.00 N ATOM 508 CA LYS A 32 -5.744 7.959 6.425 1.00 0.00 C ATOM 509 C LYS A 32 -4.434 7.535 5.777 1.00 0.00 C ATOM 510 O LYS A 32 -4.424 6.969 4.683 1.00 0.00 O ATOM 511 CB LYS A 32 -6.783 8.286 5.353 1.00 0.00 C ATOM 512 CG LYS A 32 -8.106 7.570 5.557 1.00 0.00 C ATOM 513 CD LYS A 32 -9.057 7.813 4.395 1.00 0.00 C ATOM 514 CE LYS A 32 -10.485 8.013 4.876 1.00 0.00 C ATOM 515 NZ LYS A 32 -11.294 6.769 4.746 1.00 0.00 N ATOM 0 H LYS A 32 -5.267 9.955 6.868 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.109 7.124 7.023 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -6.958 9.362 5.344 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.381 8.020 4.375 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.929 6.500 5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.567 7.912 6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.734 8.691 3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.018 6.967 3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.476 8.333 5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.953 8.812 4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.261 6.947 5.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.324 6.477 3.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.862 6.013 5.315 1.00 0.00 H new ATOM 529 N LEU A 33 -3.335 7.812 6.459 1.00 0.00 N ATOM 530 CA LEU A 33 -2.007 7.464 5.965 1.00 0.00 C ATOM 531 C LEU A 33 -1.986 6.033 5.424 1.00 0.00 C ATOM 532 O LEU A 33 -2.319 5.089 6.137 1.00 0.00 O ATOM 533 CB LEU A 33 -0.984 7.620 7.091 1.00 0.00 C ATOM 534 CG LEU A 33 0.469 7.792 6.647 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.382 7.933 7.855 1.00 0.00 C ATOM 536 CD2 LEU A 33 0.909 6.620 5.782 1.00 0.00 C ATOM 0 H LEU A 33 -3.334 8.281 7.365 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.749 8.138 5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.265 8.483 7.695 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.046 6.745 7.737 1.00 0.00 H new ATOM 0 HG LEU A 33 0.539 8.703 6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.412 8.054 7.520 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.084 8.806 8.436 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.305 7.040 8.475 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.946 6.762 5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.822 5.695 6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.275 6.563 4.897 1.00 0.00 H new ATOM 548 N GLU A 34 -1.604 5.880 4.159 1.00 0.00 N ATOM 549 CA GLU A 34 -1.557 4.562 3.533 1.00 0.00 C ATOM 550 C GLU A 34 -0.413 4.462 2.529 1.00 0.00 C ATOM 551 O GLU A 34 0.389 5.385 2.391 1.00 0.00 O ATOM 552 CB GLU A 34 -2.888 4.260 2.840 1.00 0.00 C ATOM 553 CG GLU A 34 -4.043 4.045 3.805 1.00 0.00 C ATOM 554 CD GLU A 34 -5.396 4.190 3.136 1.00 0.00 C ATOM 555 OE1 GLU A 34 -5.539 5.081 2.273 1.00 0.00 O ATOM 556 OE2 GLU A 34 -6.312 3.412 3.476 1.00 0.00 O ATOM 0 H GLU A 34 -1.324 6.648 3.550 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.382 3.826 4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.134 5.084 2.170 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.772 3.370 2.222 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.964 3.051 4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.967 4.762 4.622 1.00 0.00 H new ATOM 563 N PHE A 35 -0.341 3.333 1.832 1.00 0.00 N ATOM 564 CA PHE A 35 0.706 3.111 0.838 1.00 0.00 C ATOM 565 C PHE A 35 0.110 2.872 -0.551 1.00 0.00 C ATOM 566 O PHE A 35 -1.066 2.533 -0.685 1.00 0.00 O ATOM 567 CB PHE A 35 1.603 1.921 1.226 1.00 0.00 C ATOM 568 CG PHE A 35 1.235 1.245 2.521 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.003 0.645 2.679 1.00 0.00 C ATOM 570 CD2 PHE A 35 2.133 1.206 3.576 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.340 0.020 3.864 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.801 0.583 4.764 1.00 0.00 C ATOM 573 CZ PHE A 35 0.563 -0.011 4.909 1.00 0.00 C ATOM 0 H PHE A 35 -0.995 2.557 1.936 1.00 0.00 H new ATOM 0 HA PHE A 35 1.315 4.015 0.809 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.569 1.183 0.425 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.634 2.269 1.295 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.714 0.666 1.866 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.103 1.668 3.468 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.309 -0.444 3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.510 0.561 5.579 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.301 -0.498 5.837 1.00 0.00 H new ATOM 583 N PRO A 36 0.935 3.022 -1.604 1.00 0.00 N ATOM 584 CA PRO A 36 0.519 2.799 -2.995 1.00 0.00 C ATOM 585 C PRO A 36 -0.186 1.457 -3.165 1.00 0.00 C ATOM 586 O PRO A 36 -0.159 0.621 -2.262 1.00 0.00 O ATOM 587 CB PRO A 36 1.835 2.822 -3.788 1.00 0.00 C ATOM 588 CG PRO A 36 2.922 2.770 -2.766 1.00 0.00 C ATOM 589 CD PRO A 36 2.354 3.392 -1.525 1.00 0.00 C ATOM 0 HA PRO A 36 -0.195 3.551 -3.332 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.897 1.973 -4.469 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.911 3.724 -4.395 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.233 1.742 -2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.804 3.313 -3.106 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.825 3.001 -0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.491 4.473 -1.514 1.00 0.00 H new ATOM 597 N GLY A 37 -0.824 1.250 -4.315 1.00 0.00 N ATOM 598 CA GLY A 37 -1.522 -0.004 -4.541 1.00 0.00 C ATOM 599 C GLY A 37 -3.024 0.093 -4.373 1.00 0.00 C ATOM 600 O GLY A 37 -3.627 -0.592 -3.547 1.00 0.00 O ATOM 0 H GLY A 37 -0.870 1.918 -5.084 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.301 -0.356 -5.549 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.136 -0.753 -3.850 1.00 0.00 H new ATOM 604 N GLY A 38 -3.613 0.949 -5.174 1.00 0.00 N ATOM 605 CA GLY A 38 -5.049 1.150 -5.150 1.00 0.00 C ATOM 606 C GLY A 38 -5.654 1.107 -6.544 1.00 0.00 C ATOM 607 O GLY A 38 -5.290 1.917 -7.397 1.00 0.00 O ATOM 0 H GLY A 38 -3.118 1.523 -5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.512 0.382 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.273 2.111 -4.687 1.00 0.00 H new ATOM 611 N LYS A 39 -6.581 0.159 -6.767 1.00 0.00 N ATOM 612 CA LYS A 39 -7.265 -0.014 -8.057 1.00 0.00 C ATOM 613 C LYS A 39 -6.903 -1.343 -8.722 1.00 0.00 C ATOM 614 O LYS A 39 -7.348 -1.620 -9.836 1.00 0.00 O ATOM 615 CB LYS A 39 -6.972 1.135 -9.025 1.00 0.00 C ATOM 616 CG LYS A 39 -7.806 1.079 -10.293 1.00 0.00 C ATOM 617 CD LYS A 39 -8.515 2.399 -10.556 1.00 0.00 C ATOM 618 CE LYS A 39 -9.674 2.609 -9.594 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.224 3.189 -8.298 1.00 0.00 N ATOM 0 H LYS A 39 -6.876 -0.509 -6.055 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.331 -0.013 -7.830 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.156 2.083 -8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.915 1.116 -9.292 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.165 0.835 -11.140 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.543 0.280 -10.210 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.805 3.221 -10.458 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.884 2.417 -11.582 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.410 3.270 -10.051 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.171 1.656 -9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.987 3.769 -7.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.986 2.421 -7.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.385 3.783 -8.456 1.00 0.00 H new ATOM 633 N ILE A 40 -6.109 -2.171 -8.044 1.00 0.00 N ATOM 634 CA ILE A 40 -5.720 -3.469 -8.600 1.00 0.00 C ATOM 635 C ILE A 40 -6.949 -4.264 -9.011 1.00 0.00 C ATOM 636 O ILE A 40 -6.896 -5.114 -9.900 1.00 0.00 O ATOM 637 CB ILE A 40 -4.876 -4.300 -7.612 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.761 -4.991 -6.560 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.837 -3.410 -6.951 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.330 -6.408 -6.242 1.00 0.00 C ATOM 0 H ILE A 40 -5.726 -1.971 -7.120 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.105 -3.264 -9.476 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.366 -5.086 -8.169 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.748 -4.402 -5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.791 -5.005 -6.916 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.243 -4.001 -6.254 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.185 -2.984 -7.713 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.337 -2.606 -6.411 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.999 -6.832 -5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.370 -7.012 -7.148 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.311 -6.400 -5.855 1.00 0.00 H new ATOM 652 N GLU A 41 -8.050 -3.971 -8.337 1.00 0.00 N ATOM 653 CA GLU A 41 -9.320 -4.636 -8.587 1.00 0.00 C ATOM 654 C GLU A 41 -9.589 -4.763 -10.081 1.00 0.00 C ATOM 655 O GLU A 41 -9.320 -5.807 -10.671 1.00 0.00 O ATOM 656 CB GLU A 41 -10.458 -3.875 -7.897 1.00 0.00 C ATOM 657 CG GLU A 41 -10.278 -2.360 -7.879 1.00 0.00 C ATOM 658 CD GLU A 41 -11.449 -1.620 -8.497 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.592 -1.832 -8.042 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.222 -0.828 -9.437 1.00 0.00 O ATOM 0 H GLU A 41 -8.089 -3.266 -7.601 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.267 -5.642 -8.172 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.396 -4.112 -8.400 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.548 -4.231 -6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.146 -2.027 -6.850 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.366 -2.101 -8.417 1.00 0.00 H new ATOM 667 N MET A 42 -10.112 -3.693 -10.683 1.00 0.00 N ATOM 668 CA MET A 42 -10.418 -3.666 -12.116 1.00 0.00 C ATOM 669 C MET A 42 -10.898 -5.029 -12.623 1.00 0.00 C ATOM 670 O MET A 42 -12.100 -5.289 -12.686 1.00 0.00 O ATOM 671 CB MET A 42 -9.190 -3.209 -12.909 1.00 0.00 C ATOM 672 CG MET A 42 -8.817 -1.756 -12.666 1.00 0.00 C ATOM 673 SD MET A 42 -8.611 -0.822 -14.195 1.00 0.00 S ATOM 674 CE MET A 42 -6.851 -0.490 -14.156 1.00 0.00 C ATOM 0 H MET A 42 -10.335 -2.825 -10.195 1.00 0.00 H new ATOM 0 HA MET A 42 -11.230 -2.955 -12.266 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.342 -3.842 -12.647 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.380 -3.354 -13.973 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.589 -1.284 -12.059 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.891 -1.714 -12.093 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.550 -0.012 -15.088 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.624 0.171 -13.319 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.307 -1.427 -14.037 1.00 0.00 H new ATOM 684 N GLY A 43 -9.952 -5.895 -12.978 1.00 0.00 N ATOM 685 CA GLY A 43 -10.299 -7.214 -13.469 1.00 0.00 C ATOM 686 C GLY A 43 -9.096 -8.117 -13.609 1.00 0.00 C ATOM 687 O GLY A 43 -9.054 -8.982 -14.483 1.00 0.00 O ATOM 0 H GLY A 43 -8.951 -5.705 -12.934 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.016 -7.674 -12.789 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -10.792 -7.119 -14.436 1.00 0.00 H new ATOM 691 N GLU A 44 -8.113 -7.910 -12.750 1.00 0.00 N ATOM 692 CA GLU A 44 -6.891 -8.708 -12.780 1.00 0.00 C ATOM 693 C GLU A 44 -7.006 -9.927 -11.870 1.00 0.00 C ATOM 694 O GLU A 44 -8.068 -10.195 -11.308 1.00 0.00 O ATOM 695 CB GLU A 44 -5.693 -7.853 -12.365 1.00 0.00 C ATOM 696 CG GLU A 44 -4.958 -7.225 -13.537 1.00 0.00 C ATOM 697 CD GLU A 44 -5.861 -6.360 -14.395 1.00 0.00 C ATOM 698 OE1 GLU A 44 -6.023 -5.165 -14.067 1.00 0.00 O ATOM 699 OE2 GLU A 44 -6.405 -6.877 -15.394 1.00 0.00 O ATOM 0 H GLU A 44 -8.133 -7.197 -12.021 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.743 -9.060 -13.801 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.035 -7.063 -11.696 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.996 -8.470 -11.798 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.132 -6.621 -13.162 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.523 -8.012 -14.153 1.00 0.00 H new ATOM 706 N THR A 45 -5.907 -10.664 -11.730 1.00 0.00 N ATOM 707 CA THR A 45 -5.886 -11.854 -10.888 1.00 0.00 C ATOM 708 C THR A 45 -5.237 -11.541 -9.543 1.00 0.00 C ATOM 709 O THR A 45 -4.428 -10.624 -9.439 1.00 0.00 O ATOM 710 CB THR A 45 -5.122 -12.983 -11.590 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.766 -12.608 -12.909 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.906 -14.274 -11.679 1.00 0.00 C ATOM 0 H THR A 45 -5.020 -10.457 -12.189 1.00 0.00 H new ATOM 0 HA THR A 45 -6.913 -12.176 -10.714 1.00 0.00 H new ATOM 0 HB THR A 45 -4.238 -13.154 -10.975 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.278 -13.342 -13.337 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.306 -15.030 -12.187 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.152 -14.620 -10.675 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.825 -14.104 -12.239 1.00 0.00 H new ATOM 720 N PRO A 46 -5.575 -12.305 -8.492 1.00 0.00 N ATOM 721 CA PRO A 46 -5.013 -12.106 -7.156 1.00 0.00 C ATOM 722 C PRO A 46 -3.502 -11.882 -7.182 1.00 0.00 C ATOM 723 O PRO A 46 -2.940 -11.276 -6.270 1.00 0.00 O ATOM 724 CB PRO A 46 -5.354 -13.413 -6.417 1.00 0.00 C ATOM 725 CG PRO A 46 -5.959 -14.319 -7.441 1.00 0.00 C ATOM 726 CD PRO A 46 -6.519 -13.424 -8.506 1.00 0.00 C ATOM 0 HA PRO A 46 -5.420 -11.215 -6.678 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.460 -13.859 -5.980 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.050 -13.229 -5.599 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.211 -14.996 -7.854 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.741 -14.938 -7.001 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.552 -13.917 -9.477 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.535 -13.103 -8.276 1.00 0.00 H new ATOM 734 N GLU A 47 -2.846 -12.382 -8.227 1.00 0.00 N ATOM 735 CA GLU A 47 -1.400 -12.241 -8.358 1.00 0.00 C ATOM 736 C GLU A 47 -1.020 -11.142 -9.352 1.00 0.00 C ATOM 737 O GLU A 47 -0.105 -10.360 -9.099 1.00 0.00 O ATOM 738 CB GLU A 47 -0.779 -13.570 -8.792 1.00 0.00 C ATOM 739 CG GLU A 47 -0.177 -14.365 -7.644 1.00 0.00 C ATOM 740 CD GLU A 47 0.341 -15.721 -8.082 1.00 0.00 C ATOM 741 OE1 GLU A 47 0.584 -15.900 -9.294 1.00 0.00 O ATOM 742 OE2 GLU A 47 0.505 -16.602 -7.213 1.00 0.00 O ATOM 0 H GLU A 47 -3.292 -12.887 -8.993 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.010 -11.955 -7.381 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.542 -14.175 -9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.004 -13.374 -9.533 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.639 -13.794 -7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.930 -14.501 -6.867 1.00 0.00 H new ATOM 749 N GLN A 48 -1.715 -11.090 -10.488 1.00 0.00 N ATOM 750 CA GLN A 48 -1.424 -10.089 -11.512 1.00 0.00 C ATOM 751 C GLN A 48 -2.047 -8.737 -11.171 1.00 0.00 C ATOM 752 O GLN A 48 -1.677 -7.714 -11.747 1.00 0.00 O ATOM 753 CB GLN A 48 -1.931 -10.565 -12.875 1.00 0.00 C ATOM 754 CG GLN A 48 -0.912 -11.386 -13.648 1.00 0.00 C ATOM 755 CD GLN A 48 -1.547 -12.530 -14.415 1.00 0.00 C ATOM 756 OE1 GLN A 48 -2.322 -12.314 -15.346 1.00 0.00 O ATOM 757 NE2 GLN A 48 -1.222 -13.757 -14.023 1.00 0.00 N ATOM 0 H GLN A 48 -2.478 -11.725 -10.721 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.342 -9.961 -11.550 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.832 -11.161 -12.731 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.215 -9.698 -13.471 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.381 -10.737 -14.344 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.171 -11.785 -12.955 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.575 -13.889 -13.246 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.620 -14.567 -14.499 1.00 0.00 H new ATOM 766 N ALA A 49 -2.991 -8.737 -10.239 1.00 0.00 N ATOM 767 CA ALA A 49 -3.659 -7.508 -9.834 1.00 0.00 C ATOM 768 C ALA A 49 -2.664 -6.500 -9.278 1.00 0.00 C ATOM 769 O ALA A 49 -2.646 -5.343 -9.694 1.00 0.00 O ATOM 770 CB ALA A 49 -4.742 -7.808 -8.808 1.00 0.00 C ATOM 0 H ALA A 49 -3.311 -9.573 -9.750 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.124 -7.069 -10.717 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.233 -6.880 -8.515 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.477 -8.485 -9.242 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.293 -8.274 -7.931 1.00 0.00 H new ATOM 776 N VAL A 50 -1.836 -6.942 -8.339 1.00 0.00 N ATOM 777 CA VAL A 50 -0.841 -6.065 -7.736 1.00 0.00 C ATOM 778 C VAL A 50 0.355 -5.883 -8.662 1.00 0.00 C ATOM 779 O VAL A 50 0.840 -4.770 -8.852 1.00 0.00 O ATOM 780 CB VAL A 50 -0.356 -6.589 -6.357 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.428 -7.433 -5.683 1.00 0.00 C ATOM 782 CG2 VAL A 50 0.942 -7.379 -6.488 1.00 0.00 C ATOM 0 H VAL A 50 -1.834 -7.897 -7.981 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.328 -5.102 -7.579 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.160 -5.720 -5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.061 -7.786 -4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.323 -6.830 -5.531 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.669 -8.288 -6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.254 -7.732 -5.505 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.783 -8.233 -7.146 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.718 -6.738 -6.907 1.00 0.00 H new ATOM 792 N VAL A 51 0.829 -6.987 -9.234 1.00 0.00 N ATOM 793 CA VAL A 51 1.973 -6.951 -10.135 1.00 0.00 C ATOM 794 C VAL A 51 1.750 -5.946 -11.257 1.00 0.00 C ATOM 795 O VAL A 51 2.675 -5.251 -11.674 1.00 0.00 O ATOM 796 CB VAL A 51 2.259 -8.340 -10.743 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.510 -8.303 -11.609 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.397 -9.385 -9.645 1.00 0.00 C ATOM 0 H VAL A 51 0.437 -7.917 -9.088 1.00 0.00 H new ATOM 0 HA VAL A 51 2.836 -6.645 -9.543 1.00 0.00 H new ATOM 0 HB VAL A 51 1.416 -8.616 -11.376 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.692 -9.293 -12.027 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.371 -7.587 -12.419 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.364 -8.003 -11.002 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.598 -10.358 -10.092 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.220 -9.112 -8.984 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.472 -9.434 -9.071 1.00 0.00 H new ATOM 808 N ARG A 52 0.515 -5.875 -11.737 1.00 0.00 N ATOM 809 CA ARG A 52 0.174 -4.951 -12.807 1.00 0.00 C ATOM 810 C ARG A 52 0.005 -3.533 -12.272 1.00 0.00 C ATOM 811 O ARG A 52 0.612 -2.592 -12.784 1.00 0.00 O ATOM 812 CB ARG A 52 -1.104 -5.402 -13.516 1.00 0.00 C ATOM 813 CG ARG A 52 -1.501 -4.510 -14.681 1.00 0.00 C ATOM 814 CD ARG A 52 -2.585 -3.519 -14.284 1.00 0.00 C ATOM 815 NE ARG A 52 -2.139 -2.135 -14.429 1.00 0.00 N ATOM 816 CZ ARG A 52 -1.889 -1.555 -15.601 1.00 0.00 C ATOM 817 NH1 ARG A 52 -2.040 -2.236 -16.732 1.00 0.00 N ATOM 818 NH2 ARG A 52 -1.488 -0.292 -15.644 1.00 0.00 N ATOM 0 H ARG A 52 -0.263 -6.444 -11.403 1.00 0.00 H new ATOM 0 HA ARG A 52 0.994 -4.951 -13.525 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.968 -6.421 -13.879 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.920 -5.427 -12.794 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.626 -3.968 -15.040 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.855 -5.126 -15.507 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.469 -3.682 -14.901 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.880 -3.699 -13.250 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.012 -1.581 -13.582 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.349 -3.208 -16.705 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.847 -1.787 -17.627 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.371 0.236 -14.779 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.297 0.152 -16.542 1.00 0.00 H new ATOM 832 N GLU A 53 -0.819 -3.386 -11.240 1.00 0.00 N ATOM 833 CA GLU A 53 -1.061 -2.078 -10.643 1.00 0.00 C ATOM 834 C GLU A 53 0.217 -1.516 -10.026 1.00 0.00 C ATOM 835 O GLU A 53 0.342 -0.307 -9.841 1.00 0.00 O ATOM 836 CB GLU A 53 -2.162 -2.166 -9.584 1.00 0.00 C ATOM 837 CG GLU A 53 -3.422 -1.403 -9.959 1.00 0.00 C ATOM 838 CD GLU A 53 -3.194 0.092 -10.049 1.00 0.00 C ATOM 839 OE1 GLU A 53 -3.015 0.730 -8.991 1.00 0.00 O ATOM 840 OE2 GLU A 53 -3.194 0.626 -11.179 1.00 0.00 O ATOM 0 H GLU A 53 -1.329 -4.153 -10.801 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.388 -1.403 -11.434 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.416 -3.213 -9.420 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.779 -1.779 -8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.792 -1.768 -10.917 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.198 -1.604 -9.220 1.00 0.00 H new ATOM 847 N LEU A 54 1.164 -2.397 -9.709 1.00 0.00 N ATOM 848 CA LEU A 54 2.428 -1.971 -9.119 1.00 0.00 C ATOM 849 C LEU A 54 3.115 -0.955 -10.015 1.00 0.00 C ATOM 850 O LEU A 54 3.599 0.075 -9.549 1.00 0.00 O ATOM 851 CB LEU A 54 3.345 -3.173 -8.900 1.00 0.00 C ATOM 852 CG LEU A 54 3.761 -3.415 -7.453 1.00 0.00 C ATOM 853 CD1 LEU A 54 2.544 -3.447 -6.538 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.546 -4.709 -7.351 1.00 0.00 C ATOM 0 H LEU A 54 1.080 -3.404 -9.850 1.00 0.00 H new ATOM 0 HA LEU A 54 2.217 -1.507 -8.156 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.842 -4.066 -9.271 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.244 -3.039 -9.502 1.00 0.00 H new ATOM 0 HG LEU A 54 4.399 -2.592 -7.130 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.865 -3.621 -5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.019 -2.494 -6.597 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.875 -4.249 -6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.840 -4.876 -6.315 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.926 -5.539 -7.690 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.437 -4.644 -7.975 1.00 0.00 H new ATOM 866 N GLN A 55 3.131 -1.241 -11.310 1.00 0.00 N ATOM 867 CA GLN A 55 3.732 -0.336 -12.276 1.00 0.00 C ATOM 868 C GLN A 55 2.970 0.981 -12.272 1.00 0.00 C ATOM 869 O GLN A 55 3.547 2.054 -12.441 1.00 0.00 O ATOM 870 CB GLN A 55 3.711 -0.961 -13.674 1.00 0.00 C ATOM 871 CG GLN A 55 4.235 -0.040 -14.764 1.00 0.00 C ATOM 872 CD GLN A 55 3.123 0.668 -15.512 1.00 0.00 C ATOM 873 OE1 GLN A 55 2.145 0.045 -15.928 1.00 0.00 O ATOM 874 NE2 GLN A 55 3.268 1.976 -15.691 1.00 0.00 N ATOM 0 H GLN A 55 2.736 -2.090 -11.713 1.00 0.00 H new ATOM 0 HA GLN A 55 4.770 -0.151 -12.001 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.308 -1.873 -13.663 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.689 -1.252 -13.917 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.899 0.702 -14.320 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.831 -0.620 -15.469 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.095 2.452 -15.329 1.00 0.00 H new ATOM 0 HE22 GLN A 55 2.553 2.505 -16.190 1.00 0.00 H new ATOM 883 N GLU A 56 1.662 0.878 -12.058 1.00 0.00 N ATOM 884 CA GLU A 56 0.792 2.042 -12.006 1.00 0.00 C ATOM 885 C GLU A 56 0.921 2.764 -10.674 1.00 0.00 C ATOM 886 O GLU A 56 0.633 3.955 -10.580 1.00 0.00 O ATOM 887 CB GLU A 56 -0.662 1.625 -12.213 1.00 0.00 C ATOM 888 CG GLU A 56 -1.507 2.677 -12.913 1.00 0.00 C ATOM 889 CD GLU A 56 -2.302 3.529 -11.940 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.542 3.067 -10.803 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.683 4.657 -12.315 1.00 0.00 O ATOM 0 H GLU A 56 1.180 -0.010 -11.917 1.00 0.00 H new ATOM 0 HA GLU A 56 1.097 2.720 -12.803 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.687 0.705 -12.797 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.107 1.400 -11.244 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.860 3.320 -13.509 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.192 2.186 -13.604 1.00 0.00 H new ATOM 898 N GLU A 57 1.330 2.038 -9.634 1.00 0.00 N ATOM 899 CA GLU A 57 1.464 2.633 -8.310 1.00 0.00 C ATOM 900 C GLU A 57 2.928 2.802 -7.907 1.00 0.00 C ATOM 901 O GLU A 57 3.227 3.218 -6.787 1.00 0.00 O ATOM 902 CB GLU A 57 0.723 1.786 -7.276 1.00 0.00 C ATOM 903 CG GLU A 57 -0.780 1.746 -7.499 1.00 0.00 C ATOM 904 CD GLU A 57 -1.458 3.053 -7.139 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.019 3.702 -6.167 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.428 3.429 -7.831 1.00 0.00 O ATOM 0 H GLU A 57 1.571 1.048 -9.683 1.00 0.00 H new ATOM 0 HA GLU A 57 1.019 3.627 -8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.114 0.769 -7.301 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.925 2.181 -6.280 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.982 1.512 -8.544 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.211 0.941 -6.903 1.00 0.00 H new ATOM 913 N VAL A 58 3.838 2.501 -8.829 1.00 0.00 N ATOM 914 CA VAL A 58 5.263 2.643 -8.574 1.00 0.00 C ATOM 915 C VAL A 58 5.932 3.319 -9.757 1.00 0.00 C ATOM 916 O VAL A 58 6.746 4.228 -9.595 1.00 0.00 O ATOM 917 CB VAL A 58 5.944 1.282 -8.322 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.395 1.475 -7.913 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.195 0.490 -7.264 1.00 0.00 C ATOM 0 H VAL A 58 3.610 2.156 -9.762 1.00 0.00 H new ATOM 0 HA VAL A 58 5.374 3.250 -7.675 1.00 0.00 H new ATOM 0 HB VAL A 58 5.921 0.716 -9.253 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.857 0.503 -7.740 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.931 1.995 -8.707 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.440 2.066 -6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.694 -0.466 -7.104 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.180 1.053 -6.331 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.172 0.314 -7.597 1.00 0.00 H new ATOM 929 N GLY A 59 5.560 2.871 -10.953 1.00 0.00 N ATOM 930 CA GLY A 59 6.101 3.433 -12.173 1.00 0.00 C ATOM 931 C GLY A 59 7.565 3.120 -12.390 1.00 0.00 C ATOM 932 O GLY A 59 7.988 2.827 -13.509 1.00 0.00 O ATOM 0 H GLY A 59 4.885 2.120 -11.097 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.529 3.057 -13.021 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.969 4.515 -12.154 1.00 0.00 H new ATOM 936 N ILE A 60 8.332 3.189 -11.325 1.00 0.00 N ATOM 937 CA ILE A 60 9.758 2.922 -11.386 1.00 0.00 C ATOM 938 C ILE A 60 10.032 1.427 -11.447 1.00 0.00 C ATOM 939 O ILE A 60 9.109 0.615 -11.507 1.00 0.00 O ATOM 940 CB ILE A 60 10.527 3.510 -10.177 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.623 3.741 -8.967 1.00 0.00 C ATOM 942 CG2 ILE A 60 11.230 4.800 -10.567 1.00 0.00 C ATOM 943 CD1 ILE A 60 10.354 3.599 -7.648 1.00 0.00 C ATOM 0 H ILE A 60 7.990 3.430 -10.395 1.00 0.00 H new ATOM 0 HA ILE A 60 10.113 3.409 -12.295 1.00 0.00 H new ATOM 0 HB ILE A 60 11.273 2.771 -9.885 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.188 4.739 -9.030 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.797 3.031 -8.997 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.765 5.198 -9.705 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.937 4.600 -11.372 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.493 5.528 -10.905 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.660 3.774 -6.826 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.766 2.593 -7.567 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.164 4.327 -7.600 1.00 0.00 H new ATOM 955 N THR A 61 11.313 1.078 -11.433 1.00 0.00 N ATOM 956 CA THR A 61 11.736 -0.301 -11.484 1.00 0.00 C ATOM 957 C THR A 61 12.394 -0.693 -10.167 1.00 0.00 C ATOM 958 O THR A 61 13.603 -0.531 -9.999 1.00 0.00 O ATOM 959 CB THR A 61 12.731 -0.453 -12.619 1.00 0.00 C ATOM 960 OG1 THR A 61 13.454 0.751 -12.811 1.00 0.00 O ATOM 961 CG2 THR A 61 12.084 -0.809 -13.937 1.00 0.00 C ATOM 0 H THR A 61 12.081 1.748 -11.386 1.00 0.00 H new ATOM 0 HA THR A 61 10.875 -0.949 -11.648 1.00 0.00 H new ATOM 0 HB THR A 61 13.388 -1.270 -12.322 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.093 0.636 -13.545 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.851 -0.903 -14.705 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.553 -1.756 -13.838 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.380 -0.026 -14.220 1.00 0.00 H new ATOM 969 N PRO A 62 11.605 -1.171 -9.194 1.00 0.00 N ATOM 970 CA PRO A 62 12.093 -1.532 -7.883 1.00 0.00 C ATOM 971 C PRO A 62 12.095 -3.027 -7.617 1.00 0.00 C ATOM 972 O PRO A 62 11.174 -3.732 -8.030 1.00 0.00 O ATOM 973 CB PRO A 62 11.008 -0.885 -7.038 1.00 0.00 C ATOM 974 CG PRO A 62 9.748 -1.196 -7.786 1.00 0.00 C ATOM 975 CD PRO A 62 10.145 -1.345 -9.241 1.00 0.00 C ATOM 0 HA PRO A 62 13.125 -1.228 -7.710 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.987 -1.296 -6.029 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.162 0.190 -6.941 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.289 -2.111 -7.412 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.015 -0.399 -7.662 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.866 -2.320 -9.640 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.667 -0.594 -9.871 1.00 0.00 H new ATOM 983 N GLN A 63 13.080 -3.504 -6.860 1.00 0.00 N ATOM 984 CA GLN A 63 13.092 -4.906 -6.493 1.00 0.00 C ATOM 985 C GLN A 63 12.025 -5.056 -5.429 1.00 0.00 C ATOM 986 O GLN A 63 12.298 -5.036 -4.229 1.00 0.00 O ATOM 987 CB GLN A 63 14.461 -5.337 -5.967 1.00 0.00 C ATOM 988 CG GLN A 63 15.619 -4.791 -6.780 1.00 0.00 C ATOM 989 CD GLN A 63 16.966 -5.069 -6.142 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.817 -4.186 -6.048 1.00 0.00 O ATOM 991 NE2 GLN A 63 17.165 -6.306 -5.698 1.00 0.00 N ATOM 0 H GLN A 63 13.859 -2.952 -6.500 1.00 0.00 H new ATOM 0 HA GLN A 63 12.894 -5.543 -7.355 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.565 -5.007 -4.933 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.513 -6.426 -5.961 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.596 -5.231 -7.777 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.495 -3.715 -6.903 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.431 -7.007 -5.797 1.00 0.00 H new ATOM 0 HE22 GLN A 63 18.052 -6.554 -5.259 1.00 0.00 H new ATOM 1000 N HIS A 64 10.795 -5.127 -5.904 1.00 0.00 N ATOM 1001 CA HIS A 64 9.626 -5.192 -5.049 1.00 0.00 C ATOM 1002 C HIS A 64 8.829 -6.460 -5.314 1.00 0.00 C ATOM 1003 O HIS A 64 8.499 -6.765 -6.461 1.00 0.00 O ATOM 1004 CB HIS A 64 8.789 -3.938 -5.334 1.00 0.00 C ATOM 1005 CG HIS A 64 7.339 -4.021 -4.951 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.836 -4.928 -4.041 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.276 -3.298 -5.380 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.529 -4.762 -3.933 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.166 -3.779 -4.733 1.00 0.00 N ATOM 0 H HIS A 64 10.579 -5.141 -6.901 1.00 0.00 H new ATOM 0 HA HIS A 64 9.917 -5.223 -3.999 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.238 -3.097 -4.806 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.852 -3.716 -6.399 1.00 0.00 H new ATOM 0 HD1 HIS A 64 7.387 -5.619 -3.531 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.299 -2.492 -6.099 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.870 -5.335 -3.297 1.00 0.00 H new ATOM 1018 N PHE A 65 8.534 -7.205 -4.254 1.00 0.00 N ATOM 1019 CA PHE A 65 7.792 -8.446 -4.397 1.00 0.00 C ATOM 1020 C PHE A 65 7.550 -9.126 -3.051 1.00 0.00 C ATOM 1021 O PHE A 65 8.147 -8.758 -2.042 1.00 0.00 O ATOM 1022 CB PHE A 65 8.583 -9.380 -5.287 1.00 0.00 C ATOM 1023 CG PHE A 65 7.736 -10.340 -6.072 1.00 0.00 C ATOM 1024 CD1 PHE A 65 6.950 -9.885 -7.119 1.00 0.00 C ATOM 1025 CD2 PHE A 65 7.724 -11.692 -5.767 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.167 -10.761 -7.847 1.00 0.00 C ATOM 1027 CE2 PHE A 65 6.943 -12.572 -6.493 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.163 -12.105 -7.535 1.00 0.00 C ATOM 0 H PHE A 65 8.796 -6.972 -3.296 1.00 0.00 H new ATOM 0 HA PHE A 65 6.820 -8.215 -4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.179 -8.787 -5.980 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.281 -9.947 -4.671 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.949 -8.834 -7.369 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.331 -12.062 -4.954 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.558 -10.393 -8.660 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.942 -13.623 -6.246 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.552 -12.791 -8.103 1.00 0.00 H new ATOM 1038 N SER A 66 6.678 -10.137 -3.060 1.00 0.00 N ATOM 1039 CA SER A 66 6.343 -10.901 -1.856 1.00 0.00 C ATOM 1040 C SER A 66 5.277 -10.183 -1.038 1.00 0.00 C ATOM 1041 O SER A 66 5.094 -8.973 -1.168 1.00 0.00 O ATOM 1042 CB SER A 66 7.590 -11.160 -1.000 1.00 0.00 C ATOM 1043 OG SER A 66 7.775 -10.138 -0.036 1.00 0.00 O ATOM 0 H SER A 66 6.186 -10.448 -3.898 1.00 0.00 H new ATOM 0 HA SER A 66 5.944 -11.864 -2.175 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.496 -12.123 -0.498 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.469 -11.220 -1.642 1.00 0.00 H new ATOM 0 HG SER A 66 8.203 -9.364 -0.458 1.00 0.00 H new ATOM 1049 N LEU A 67 4.568 -10.935 -0.200 1.00 0.00 N ATOM 1050 CA LEU A 67 3.514 -10.362 0.630 1.00 0.00 C ATOM 1051 C LEU A 67 3.905 -10.363 2.105 1.00 0.00 C ATOM 1052 O LEU A 67 4.460 -11.337 2.613 1.00 0.00 O ATOM 1053 CB LEU A 67 2.200 -11.125 0.429 1.00 0.00 C ATOM 1054 CG LEU A 67 2.090 -12.456 1.177 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.623 -12.229 2.607 1.00 0.00 C ATOM 1056 CD2 LEU A 67 1.140 -13.395 0.448 1.00 0.00 C ATOM 0 H LEU A 67 4.704 -11.939 -0.078 1.00 0.00 H new ATOM 0 HA LEU A 67 3.373 -9.326 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.376 -10.483 0.741 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.070 -11.315 -0.636 1.00 0.00 H new ATOM 0 HG LEU A 67 3.077 -12.917 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.551 -13.187 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.338 -11.590 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.645 -11.747 2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.072 -14.337 0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.152 -12.938 0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.515 -13.583 -0.558 1.00 0.00 H new ATOM 1068 N PHE A 68 3.604 -9.262 2.788 1.00 0.00 N ATOM 1069 CA PHE A 68 3.913 -9.130 4.206 1.00 0.00 C ATOM 1070 C PHE A 68 2.702 -9.522 5.050 1.00 0.00 C ATOM 1071 O PHE A 68 2.840 -10.053 6.152 1.00 0.00 O ATOM 1072 CB PHE A 68 4.370 -7.691 4.511 1.00 0.00 C ATOM 1073 CG PHE A 68 3.496 -6.924 5.473 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.186 -6.606 5.147 1.00 0.00 C ATOM 1075 CD2 PHE A 68 3.994 -6.511 6.698 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.392 -5.892 6.025 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.205 -5.795 7.578 1.00 0.00 C ATOM 1078 CZ PHE A 68 1.902 -5.484 7.242 1.00 0.00 C ATOM 0 H PHE A 68 3.145 -8.447 2.380 1.00 0.00 H new ATOM 0 HA PHE A 68 4.729 -9.806 4.462 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.382 -7.727 4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.421 -7.138 3.573 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.781 -6.920 4.196 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.011 -6.752 6.969 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.373 -5.653 5.759 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.607 -5.478 8.529 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.284 -4.924 7.928 1.00 0.00 H new ATOM 1088 N GLU A 69 1.515 -9.255 4.516 1.00 0.00 N ATOM 1089 CA GLU A 69 0.269 -9.574 5.200 1.00 0.00 C ATOM 1090 C GLU A 69 -0.919 -9.354 4.270 1.00 0.00 C ATOM 1091 O GLU A 69 -0.837 -8.574 3.323 1.00 0.00 O ATOM 1092 CB GLU A 69 0.116 -8.716 6.458 1.00 0.00 C ATOM 1093 CG GLU A 69 -0.634 -9.412 7.581 1.00 0.00 C ATOM 1094 CD GLU A 69 -0.777 -8.540 8.814 1.00 0.00 C ATOM 1095 OE1 GLU A 69 0.029 -7.600 8.972 1.00 0.00 O ATOM 1096 OE2 GLU A 69 -1.695 -8.799 9.621 1.00 0.00 O ATOM 0 H GLU A 69 1.390 -8.815 3.604 1.00 0.00 H new ATOM 0 HA GLU A 69 0.296 -10.624 5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.105 -8.430 6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.407 -7.796 6.199 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.624 -9.701 7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.111 -10.330 7.848 1.00 0.00 H new ATOM 1103 N LYS A 70 -2.020 -10.041 4.537 1.00 0.00 N ATOM 1104 CA LYS A 70 -3.212 -9.902 3.711 1.00 0.00 C ATOM 1105 C LYS A 70 -4.477 -9.980 4.561 1.00 0.00 C ATOM 1106 O LYS A 70 -4.625 -10.881 5.387 1.00 0.00 O ATOM 1107 CB LYS A 70 -3.240 -10.987 2.632 1.00 0.00 C ATOM 1108 CG LYS A 70 -3.040 -12.392 3.177 1.00 0.00 C ATOM 1109 CD LYS A 70 -4.350 -13.161 3.236 1.00 0.00 C ATOM 1110 CE LYS A 70 -4.127 -14.613 3.626 1.00 0.00 C ATOM 1111 NZ LYS A 70 -4.462 -14.862 5.056 1.00 0.00 N ATOM 0 H LYS A 70 -2.114 -10.696 5.313 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.179 -8.924 3.232 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -4.195 -10.942 2.108 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.463 -10.777 1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.330 -12.929 2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.604 -12.337 4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.018 -12.688 3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.844 -13.116 2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.737 -15.257 2.993 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.086 -14.882 3.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -4.296 -15.864 5.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.862 -14.267 5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.462 -14.630 5.224 1.00 0.00 H new ATOM 1125 N LEU A 71 -5.389 -9.037 4.351 1.00 0.00 N ATOM 1126 CA LEU A 71 -6.642 -9.011 5.096 1.00 0.00 C ATOM 1127 C LEU A 71 -7.833 -8.892 4.151 1.00 0.00 C ATOM 1128 O LEU A 71 -7.840 -8.060 3.243 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.646 -7.857 6.106 1.00 0.00 C ATOM 1130 CG LEU A 71 -6.827 -6.458 5.509 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -7.280 -5.477 6.580 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -5.536 -5.983 4.858 1.00 0.00 C ATOM 0 H LEU A 71 -5.284 -8.282 3.673 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.730 -9.950 5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.445 -8.031 6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.707 -7.878 6.659 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.599 -6.508 4.741 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.404 -4.488 6.139 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.230 -5.809 6.999 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.531 -5.430 7.371 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.684 -4.987 4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.743 -5.948 5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.255 -6.673 4.062 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.838 -9.733 4.367 1.00 0.00 N ATOM 1145 CA GLU A 72 -10.033 -9.728 3.538 1.00 0.00 C ATOM 1146 C GLU A 72 -11.286 -9.617 4.404 1.00 0.00 C ATOM 1147 O GLU A 72 -11.648 -10.553 5.117 1.00 0.00 O ATOM 1148 CB GLU A 72 -10.081 -11.002 2.686 1.00 0.00 C ATOM 1149 CG GLU A 72 -11.467 -11.349 2.169 1.00 0.00 C ATOM 1150 CD GLU A 72 -11.429 -12.290 0.981 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -10.371 -12.375 0.324 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -12.459 -12.943 0.708 1.00 0.00 O ATOM 0 H GLU A 72 -8.847 -10.429 5.113 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.999 -8.862 2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.407 -10.885 1.837 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.706 -11.837 3.278 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.046 -11.806 2.971 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.985 -10.433 1.885 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.944 -8.465 4.332 1.00 0.00 N ATOM 1160 CA TYR A 73 -13.157 -8.227 5.103 1.00 0.00 C ATOM 1161 C TYR A 73 -14.248 -7.640 4.214 1.00 0.00 C ATOM 1162 O TYR A 73 -13.957 -6.989 3.211 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.869 -7.287 6.275 1.00 0.00 C ATOM 1164 CG TYR A 73 -12.239 -5.977 5.861 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.957 -5.940 5.327 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -12.924 -4.777 6.007 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.376 -4.743 4.951 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.350 -3.578 5.632 1.00 0.00 C ATOM 1169 CZ TYR A 73 -11.077 -3.566 5.105 1.00 0.00 C ATOM 1170 OH TYR A 73 -10.501 -2.374 4.731 1.00 0.00 O ATOM 0 H TYR A 73 -11.657 -7.681 3.746 1.00 0.00 H new ATOM 0 HA TYR A 73 -13.506 -9.181 5.498 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.801 -7.082 6.802 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -12.208 -7.791 6.980 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.406 -6.860 5.204 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -13.922 -4.782 6.421 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.378 -4.730 4.539 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.896 -2.654 5.751 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.587 -1.726 5.461 1.00 0.00 H new ATOM 1180 N GLU A 74 -15.503 -7.876 4.580 1.00 0.00 N ATOM 1181 CA GLU A 74 -16.626 -7.369 3.801 1.00 0.00 C ATOM 1182 C GLU A 74 -17.488 -6.418 4.622 1.00 0.00 C ATOM 1183 O GLU A 74 -17.766 -6.663 5.796 1.00 0.00 O ATOM 1184 CB GLU A 74 -17.483 -8.522 3.275 1.00 0.00 C ATOM 1185 CG GLU A 74 -17.746 -9.606 4.305 1.00 0.00 C ATOM 1186 CD GLU A 74 -18.292 -10.878 3.686 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -17.681 -11.378 2.719 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -19.333 -11.374 4.169 1.00 0.00 O ATOM 0 H GLU A 74 -15.767 -8.412 5.407 1.00 0.00 H new ATOM 0 HA GLU A 74 -16.214 -6.816 2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -18.437 -8.125 2.927 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.988 -8.966 2.411 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.820 -9.832 4.834 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.454 -9.234 5.046 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.912 -5.336 3.983 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.752 -4.335 4.622 1.00 0.00 C ATOM 1197 C PHE A 75 -20.215 -4.557 4.247 1.00 0.00 C ATOM 1198 O PHE A 75 -20.507 -5.261 3.282 1.00 0.00 O ATOM 1199 CB PHE A 75 -18.306 -2.930 4.209 1.00 0.00 C ATOM 1200 CG PHE A 75 -17.655 -2.153 5.318 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -16.565 -2.672 5.997 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -18.135 -0.905 5.683 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -15.964 -1.960 7.019 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -17.539 -0.189 6.703 1.00 0.00 C ATOM 1205 CZ PHE A 75 -16.453 -0.717 7.372 1.00 0.00 C ATOM 0 H PHE A 75 -17.684 -5.129 3.011 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.651 -4.430 5.703 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.608 -3.010 3.375 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -19.172 -2.375 3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -16.180 -3.644 5.725 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -18.985 -0.487 5.164 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -15.114 -2.375 7.540 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -17.922 0.783 6.977 1.00 0.00 H new ATOM 0 HZ PHE A 75 -15.986 -0.159 8.170 1.00 0.00 H new ATOM 1215 N PRO A 76 -21.154 -3.960 5.004 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.590 -4.092 4.749 1.00 0.00 C ATOM 1217 C PRO A 76 -22.943 -3.855 3.284 1.00 0.00 C ATOM 1218 O PRO A 76 -23.369 -2.765 2.902 1.00 0.00 O ATOM 1219 CB PRO A 76 -23.228 -3.013 5.641 1.00 0.00 C ATOM 1220 CG PRO A 76 -22.092 -2.207 6.181 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.892 -3.108 6.160 1.00 0.00 C ATOM 0 HA PRO A 76 -22.946 -5.099 4.969 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.914 -2.388 5.069 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.806 -3.464 6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.922 -1.318 5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -22.304 -1.865 7.194 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.965 -2.546 6.048 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.804 -3.687 7.079 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.755 -4.895 2.476 1.00 0.00 N ATOM 1230 CA ASP A 77 -23.037 -4.851 1.037 1.00 0.00 C ATOM 1231 C ASP A 77 -21.850 -4.299 0.248 1.00 0.00 C ATOM 1232 O ASP A 77 -21.981 -3.964 -0.928 1.00 0.00 O ATOM 1233 CB ASP A 77 -24.292 -4.019 0.742 1.00 0.00 C ATOM 1234 CG ASP A 77 -25.427 -4.320 1.701 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -25.391 -5.387 2.348 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -26.354 -3.489 1.803 1.00 0.00 O ATOM 0 H ASP A 77 -22.402 -5.796 2.798 1.00 0.00 H new ATOM 0 HA ASP A 77 -23.214 -5.878 0.717 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.043 -2.959 0.800 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -24.622 -4.214 -0.279 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.691 -4.214 0.897 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.487 -3.709 0.246 1.00 0.00 C ATOM 1243 C ARG A 78 -18.271 -4.559 0.609 1.00 0.00 C ATOM 1244 O ARG A 78 -17.622 -4.324 1.626 1.00 0.00 O ATOM 1245 CB ARG A 78 -19.240 -2.252 0.640 1.00 0.00 C ATOM 1246 CG ARG A 78 -18.014 -1.643 -0.024 1.00 0.00 C ATOM 1247 CD ARG A 78 -17.611 -0.335 0.643 1.00 0.00 C ATOM 1248 NE ARG A 78 -16.161 -0.208 0.768 1.00 0.00 N ATOM 1249 CZ ARG A 78 -15.535 0.948 0.984 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -16.227 2.074 1.099 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.212 0.976 1.085 1.00 0.00 N ATOM 0 H ARG A 78 -20.561 -4.488 1.871 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.639 -3.766 -0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -20.117 -1.660 0.379 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -19.125 -2.191 1.722 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.184 -2.348 0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.221 -1.466 -1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.000 0.502 0.063 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -18.067 -0.277 1.632 1.00 0.00 H new ATOM 0 HE ARG A 78 -15.595 -1.053 0.685 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -17.244 2.058 1.022 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.742 2.956 1.264 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.675 0.113 0.997 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.732 1.861 1.250 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.964 -5.544 -0.230 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.821 -6.419 0.010 1.00 0.00 C ATOM 1267 C HIS A 79 -15.516 -5.695 -0.306 1.00 0.00 C ATOM 1268 O HIS A 79 -15.238 -5.372 -1.461 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.935 -7.688 -0.838 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.923 -8.734 -0.488 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -14.628 -8.715 -0.960 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -16.021 -9.836 0.294 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -13.973 -9.761 -0.484 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -14.796 -10.455 0.279 1.00 0.00 N ATOM 0 H HIS A 79 -18.488 -5.756 -1.079 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.818 -6.698 1.064 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.934 -8.107 -0.719 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -16.824 -7.424 -1.890 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -16.899 -10.166 0.829 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -12.940 -10.005 -0.686 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -14.560 -11.313 0.777 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.723 -5.432 0.728 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.456 -4.739 0.563 1.00 0.00 C ATOM 1285 C ILE A 80 -12.274 -5.679 0.796 1.00 0.00 C ATOM 1286 O ILE A 80 -12.039 -6.132 1.915 1.00 0.00 O ATOM 1287 CB ILE A 80 -13.357 -3.534 1.527 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.921 -3.021 1.602 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.857 -3.917 2.913 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -11.774 -1.735 2.387 1.00 0.00 C ATOM 0 H ILE A 80 -14.939 -5.690 1.691 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.417 -4.378 -0.465 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.988 -2.734 1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.294 -3.788 2.057 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.548 -2.863 0.590 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.780 -3.057 3.578 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.898 -4.234 2.849 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -13.252 -4.734 3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.727 -1.432 2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -12.373 -0.953 1.920 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.116 -1.892 3.410 1.00 0.00 H new ATOM 1302 N THR A 81 -11.530 -5.956 -0.270 1.00 0.00 N ATOM 1303 CA THR A 81 -10.365 -6.829 -0.186 1.00 0.00 C ATOM 1304 C THR A 81 -9.084 -6.000 -0.172 1.00 0.00 C ATOM 1305 O THR A 81 -8.849 -5.194 -1.071 1.00 0.00 O ATOM 1306 CB THR A 81 -10.344 -7.807 -1.364 1.00 0.00 C ATOM 1307 OG1 THR A 81 -11.627 -7.904 -1.957 1.00 0.00 O ATOM 1308 CG2 THR A 81 -9.912 -9.203 -0.975 1.00 0.00 C ATOM 0 H THR A 81 -11.714 -5.588 -1.203 1.00 0.00 H new ATOM 0 HA THR A 81 -10.427 -7.399 0.741 1.00 0.00 H new ATOM 0 HB THR A 81 -9.614 -7.401 -2.064 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.686 -8.733 -2.476 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.919 -9.845 -1.856 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.905 -9.170 -0.559 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.600 -9.602 -0.230 1.00 0.00 H new ATOM 1316 N LEU A 82 -8.262 -6.192 0.857 1.00 0.00 N ATOM 1317 CA LEU A 82 -7.016 -5.443 0.978 1.00 0.00 C ATOM 1318 C LEU A 82 -5.818 -6.370 1.146 1.00 0.00 C ATOM 1319 O LEU A 82 -5.697 -7.069 2.151 1.00 0.00 O ATOM 1320 CB LEU A 82 -7.091 -4.482 2.162 1.00 0.00 C ATOM 1321 CG LEU A 82 -7.790 -3.153 1.879 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -8.061 -2.413 3.177 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.951 -2.300 0.940 1.00 0.00 C ATOM 0 H LEU A 82 -8.435 -6.855 1.613 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.881 -4.878 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.610 -4.980 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.078 -4.275 2.506 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.744 -3.358 1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.559 -1.468 2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.700 -3.022 3.816 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.118 -2.217 3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.464 -1.357 0.749 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.982 -2.100 1.398 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.805 -2.831 -0.001 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.928 -6.360 0.158 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.731 -7.191 0.204 1.00 0.00 C ATOM 1337 C TRP A 83 -2.500 -6.339 0.482 1.00 0.00 C ATOM 1338 O TRP A 83 -2.195 -5.410 -0.266 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.545 -7.941 -1.118 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.632 -8.928 -1.402 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.949 -8.805 -1.078 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.497 -10.190 -2.066 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.645 -9.910 -1.500 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.775 -10.776 -2.110 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.420 -10.879 -2.630 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -6.005 -12.019 -2.694 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.649 -12.114 -3.209 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.933 -12.672 -3.237 1.00 0.00 C ATOM 0 H TRP A 83 -5.013 -5.787 -0.682 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.854 -7.915 1.010 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.499 -7.219 -1.933 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.588 -8.462 -1.099 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.383 -7.960 -0.564 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.646 -10.062 -1.379 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.427 -10.455 -2.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.994 -12.452 -2.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.824 -12.657 -3.647 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -5.080 -13.638 -3.697 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.791 -6.667 1.552 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.581 -5.932 1.912 1.00 0.00 C ATOM 1361 C PHE A 84 0.657 -6.689 1.437 1.00 0.00 C ATOM 1362 O PHE A 84 0.985 -7.755 1.958 1.00 0.00 O ATOM 1363 CB PHE A 84 -0.516 -5.689 3.425 1.00 0.00 C ATOM 1364 CG PHE A 84 -1.325 -4.508 3.886 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.588 -4.272 3.363 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.827 -3.634 4.842 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -3.337 -3.188 3.785 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.571 -2.551 5.266 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.827 -2.328 4.738 1.00 0.00 C ATOM 0 H PHE A 84 -2.028 -7.432 2.184 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.610 -4.961 1.417 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.867 -6.582 3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.524 -5.541 3.715 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.991 -4.942 2.618 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.155 -3.803 5.259 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.319 -3.015 3.370 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.171 -1.879 6.010 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.410 -1.482 5.070 1.00 0.00 H new ATOM 1379 N TRP A 85 1.326 -6.144 0.426 1.00 0.00 N ATOM 1380 CA TRP A 85 2.510 -6.781 -0.141 1.00 0.00 C ATOM 1381 C TRP A 85 3.806 -6.207 0.426 1.00 0.00 C ATOM 1382 O TRP A 85 3.881 -5.030 0.780 1.00 0.00 O ATOM 1383 CB TRP A 85 2.497 -6.652 -1.663 1.00 0.00 C ATOM 1384 CG TRP A 85 1.448 -7.502 -2.305 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.100 -7.422 -2.108 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.656 -8.569 -3.236 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.544 -8.371 -2.861 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.389 -9.088 -3.565 1.00 0.00 C ATOM 1389 CE3 TRP A 85 2.789 -9.136 -3.827 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.225 -10.145 -4.456 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.625 -10.185 -4.712 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.351 -10.679 -5.020 1.00 0.00 C ATOM 0 H TRP A 85 1.069 -5.262 -0.018 1.00 0.00 H new ATOM 0 HA TRP A 85 2.476 -7.834 0.137 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.330 -5.609 -1.934 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.475 -6.931 -2.056 1.00 0.00 H new ATOM 0 HD1 TRP A 85 -0.389 -6.715 -1.454 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.553 -8.519 -2.892 1.00 0.00 H new ATOM 0 HE3 TRP A 85 3.775 -8.761 -3.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.756 -10.530 -4.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.493 -10.631 -5.174 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.256 -11.498 -5.717 1.00 0.00 H new ATOM 1403 N LEU A 86 4.822 -7.061 0.507 1.00 0.00 N ATOM 1404 CA LEU A 86 6.127 -6.672 1.027 1.00 0.00 C ATOM 1405 C LEU A 86 7.082 -6.296 -0.106 1.00 0.00 C ATOM 1406 O LEU A 86 7.117 -6.947 -1.147 1.00 0.00 O ATOM 1407 CB LEU A 86 6.722 -7.806 1.862 1.00 0.00 C ATOM 1408 CG LEU A 86 8.152 -7.571 2.353 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.169 -6.554 3.483 1.00 0.00 C ATOM 1410 CD2 LEU A 86 8.782 -8.881 2.804 1.00 0.00 C ATOM 0 H LEU A 86 4.764 -8.037 0.216 1.00 0.00 H new ATOM 0 HA LEU A 86 5.991 -5.796 1.661 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.081 -7.974 2.727 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.704 -8.721 1.269 1.00 0.00 H new ATOM 0 HG LEU A 86 8.739 -7.173 1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.195 -6.400 3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.758 -5.609 3.128 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.567 -6.923 4.313 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.799 -8.696 3.150 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.194 -9.307 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.805 -9.580 1.968 1.00 0.00 H new ATOM 1422 N VAL A 87 7.845 -5.235 0.110 1.00 0.00 N ATOM 1423 CA VAL A 87 8.810 -4.741 -0.871 1.00 0.00 C ATOM 1424 C VAL A 87 10.188 -4.683 -0.270 1.00 0.00 C ATOM 1425 O VAL A 87 10.328 -4.427 0.925 1.00 0.00 O ATOM 1426 CB VAL A 87 8.458 -3.344 -1.356 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.386 -2.908 -2.477 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.006 -3.309 -1.794 1.00 0.00 C ATOM 0 H VAL A 87 7.815 -4.689 0.971 1.00 0.00 H new ATOM 0 HA VAL A 87 8.783 -5.434 -1.712 1.00 0.00 H new ATOM 0 HB VAL A 87 8.591 -2.638 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.113 -1.905 -2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.415 -2.904 -2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.297 -3.601 -3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.755 -2.307 -2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.853 -4.023 -2.603 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.366 -3.572 -0.952 1.00 0.00 H new ATOM 1438 N GLU A 88 11.210 -4.941 -1.071 1.00 0.00 N ATOM 1439 CA GLU A 88 12.558 -4.920 -0.527 1.00 0.00 C ATOM 1440 C GLU A 88 13.430 -3.774 -1.055 1.00 0.00 C ATOM 1441 O GLU A 88 14.389 -3.383 -0.390 1.00 0.00 O ATOM 1442 CB GLU A 88 13.260 -6.259 -0.772 1.00 0.00 C ATOM 1443 CG GLU A 88 12.314 -7.450 -0.818 1.00 0.00 C ATOM 1444 CD GLU A 88 11.723 -7.779 0.539 1.00 0.00 C ATOM 1445 OE1 GLU A 88 12.449 -7.655 1.549 1.00 0.00 O ATOM 1446 OE2 GLU A 88 10.535 -8.160 0.592 1.00 0.00 O ATOM 0 H GLU A 88 11.139 -5.160 -2.065 1.00 0.00 H new ATOM 0 HA GLU A 88 12.437 -4.748 0.542 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.807 -6.205 -1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.996 -6.422 0.015 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.507 -7.241 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.850 -8.320 -1.197 1.00 0.00 H new ATOM 1453 N ARG A 89 13.134 -3.243 -2.239 1.00 0.00 N ATOM 1454 CA ARG A 89 13.955 -2.164 -2.787 1.00 0.00 C ATOM 1455 C ARG A 89 13.230 -1.421 -3.906 1.00 0.00 C ATOM 1456 O ARG A 89 12.274 -1.934 -4.483 1.00 0.00 O ATOM 1457 CB ARG A 89 15.288 -2.750 -3.283 1.00 0.00 C ATOM 1458 CG ARG A 89 16.013 -1.918 -4.334 1.00 0.00 C ATOM 1459 CD ARG A 89 16.795 -0.776 -3.702 1.00 0.00 C ATOM 1460 NE ARG A 89 17.155 0.249 -4.678 1.00 0.00 N ATOM 1461 CZ ARG A 89 18.131 1.136 -4.496 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.843 1.129 -3.376 1.00 0.00 N ATOM 1463 NH2 ARG A 89 18.397 2.032 -5.437 1.00 0.00 N ATOM 0 H ARG A 89 12.352 -3.532 -2.826 1.00 0.00 H new ATOM 0 HA ARG A 89 14.151 -1.435 -2.001 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.950 -2.881 -2.427 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.100 -3.742 -3.695 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.692 -2.556 -4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.290 -1.516 -5.043 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.200 -0.326 -2.907 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.700 -1.169 -3.239 1.00 0.00 H new ATOM 0 HE ARG A 89 16.628 0.288 -5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.644 0.442 -2.649 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.590 1.811 -3.242 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.854 2.042 -6.300 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.145 2.712 -5.297 1.00 0.00 H new ATOM 1477 N TRP A 90 13.714 -0.219 -4.225 1.00 0.00 N ATOM 1478 CA TRP A 90 13.128 0.576 -5.295 1.00 0.00 C ATOM 1479 C TRP A 90 14.146 1.556 -5.878 1.00 0.00 C ATOM 1480 O TRP A 90 14.748 2.347 -5.152 1.00 0.00 O ATOM 1481 CB TRP A 90 11.862 1.299 -4.806 1.00 0.00 C ATOM 1482 CG TRP A 90 12.093 2.646 -4.190 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.498 3.783 -4.827 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.902 2.999 -2.817 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.577 4.821 -3.931 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.215 4.365 -2.692 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.497 2.293 -1.681 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.136 5.038 -1.476 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.418 2.965 -0.475 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.736 4.325 -0.381 1.00 0.00 C ATOM 0 H TRP A 90 14.507 0.220 -3.757 1.00 0.00 H new ATOM 0 HA TRP A 90 12.835 -0.100 -6.098 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.181 1.415 -5.649 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.360 0.665 -4.075 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.723 3.856 -5.881 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.859 5.776 -4.153 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.251 1.243 -1.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.382 6.087 -1.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.105 2.431 0.410 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.664 4.821 0.576 1.00 0.00 H new ATOM 1501 N GLU A 91 14.341 1.486 -7.196 1.00 0.00 N ATOM 1502 CA GLU A 91 15.293 2.359 -7.875 1.00 0.00 C ATOM 1503 C GLU A 91 14.740 3.773 -8.015 1.00 0.00 C ATOM 1504 O GLU A 91 13.532 3.968 -8.149 1.00 0.00 O ATOM 1505 CB GLU A 91 15.637 1.795 -9.255 1.00 0.00 C ATOM 1506 CG GLU A 91 16.652 0.664 -9.214 1.00 0.00 C ATOM 1507 CD GLU A 91 17.290 0.404 -10.565 1.00 0.00 C ATOM 1508 OE1 GLU A 91 17.813 1.364 -11.169 1.00 0.00 O ATOM 1509 OE2 GLU A 91 17.267 -0.760 -11.019 1.00 0.00 O ATOM 0 H GLU A 91 13.853 0.835 -7.811 1.00 0.00 H new ATOM 0 HA GLU A 91 16.198 2.404 -7.270 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.724 1.436 -9.729 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.026 2.599 -9.880 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.430 0.905 -8.489 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.163 -0.246 -8.866 1.00 0.00 H new ATOM 1516 N GLY A 92 15.634 4.757 -7.987 1.00 0.00 N ATOM 1517 CA GLY A 92 15.221 6.143 -8.114 1.00 0.00 C ATOM 1518 C GLY A 92 14.165 6.530 -7.098 1.00 0.00 C ATOM 1519 O GLY A 92 14.326 6.292 -5.902 1.00 0.00 O ATOM 0 H GLY A 92 16.639 4.619 -7.878 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.090 6.790 -7.994 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.833 6.313 -9.119 1.00 0.00 H new ATOM 1523 N GLU A 93 13.079 7.129 -7.578 1.00 0.00 N ATOM 1524 CA GLU A 93 11.989 7.549 -6.706 1.00 0.00 C ATOM 1525 C GLU A 93 10.673 6.905 -7.139 1.00 0.00 C ATOM 1526 O GLU A 93 10.424 6.731 -8.331 1.00 0.00 O ATOM 1527 CB GLU A 93 11.855 9.072 -6.720 1.00 0.00 C ATOM 1528 CG GLU A 93 13.154 9.801 -6.420 1.00 0.00 C ATOM 1529 CD GLU A 93 13.030 11.304 -6.580 1.00 0.00 C ATOM 1530 OE1 GLU A 93 12.476 11.747 -7.607 1.00 0.00 O ATOM 1531 OE2 GLU A 93 13.487 12.036 -5.677 1.00 0.00 O ATOM 0 H GLU A 93 12.931 7.334 -8.566 1.00 0.00 H new ATOM 0 HA GLU A 93 12.218 7.223 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.489 9.387 -7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.104 9.369 -5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.468 9.572 -5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.935 9.432 -7.084 1.00 0.00 H new ATOM 1538 N PRO A 94 9.803 6.550 -6.176 1.00 0.00 N ATOM 1539 CA PRO A 94 8.509 5.936 -6.466 1.00 0.00 C ATOM 1540 C PRO A 94 7.506 6.961 -6.963 1.00 0.00 C ATOM 1541 O PRO A 94 7.308 8.000 -6.332 1.00 0.00 O ATOM 1542 CB PRO A 94 8.060 5.356 -5.112 1.00 0.00 C ATOM 1543 CG PRO A 94 9.198 5.586 -4.169 1.00 0.00 C ATOM 1544 CD PRO A 94 9.989 6.727 -4.736 1.00 0.00 C ATOM 0 HA PRO A 94 8.579 5.183 -7.251 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.154 5.848 -4.758 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.833 4.293 -5.198 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.833 5.824 -3.170 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.815 4.692 -4.078 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.615 7.692 -4.393 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.040 6.674 -4.452 1.00 0.00 H new ATOM 1552 N TRP A 95 6.870 6.673 -8.091 1.00 0.00 N ATOM 1553 CA TRP A 95 5.890 7.593 -8.643 1.00 0.00 C ATOM 1554 C TRP A 95 4.609 6.877 -9.038 1.00 0.00 C ATOM 1555 O TRP A 95 3.526 7.210 -8.558 1.00 0.00 O ATOM 1556 CB TRP A 95 6.457 8.345 -9.849 1.00 0.00 C ATOM 1557 CG TRP A 95 7.107 7.480 -10.899 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.421 7.126 -10.965 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.479 6.883 -12.045 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.659 6.370 -12.090 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.483 6.208 -12.769 1.00 0.00 C ATOM 1562 CE3 TRP A 95 5.170 6.858 -12.532 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 7.216 5.526 -13.956 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.906 6.176 -13.706 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.926 5.523 -14.408 1.00 0.00 C ATOM 0 H TRP A 95 7.013 5.821 -8.634 1.00 0.00 H new ATOM 0 HA TRP A 95 5.653 8.312 -7.859 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.651 8.911 -10.316 1.00 0.00 H new ATOM 0 HB3 TRP A 95 7.190 9.069 -9.493 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.170 7.400 -10.237 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.564 5.992 -12.371 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.377 7.363 -12.000 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 8.000 5.019 -14.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.896 6.147 -14.087 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.689 5.006 -15.326 1.00 0.00 H new ATOM 1576 N GLY A 96 4.739 5.899 -9.921 1.00 0.00 N ATOM 1577 CA GLY A 96 3.578 5.152 -10.376 1.00 0.00 C ATOM 1578 C GLY A 96 2.409 6.047 -10.754 1.00 0.00 C ATOM 1579 O GLY A 96 2.376 6.605 -11.851 1.00 0.00 O ATOM 0 H GLY A 96 5.625 5.607 -10.332 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.858 4.545 -11.237 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.264 4.465 -9.590 1.00 0.00 H new ATOM 1583 N LYS A 97 1.446 6.181 -9.841 1.00 0.00 N ATOM 1584 CA LYS A 97 0.267 7.011 -10.081 1.00 0.00 C ATOM 1585 C LYS A 97 -0.734 6.895 -8.932 1.00 0.00 C ATOM 1586 O LYS A 97 -1.944 6.875 -9.155 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.416 6.614 -11.395 1.00 0.00 C ATOM 1588 CG LYS A 97 -0.958 7.797 -12.182 1.00 0.00 C ATOM 1589 CD LYS A 97 0.126 8.827 -12.463 1.00 0.00 C ATOM 1590 CE LYS A 97 -0.012 10.042 -11.558 1.00 0.00 C ATOM 1591 NZ LYS A 97 -0.944 11.055 -12.126 1.00 0.00 N ATOM 0 H LYS A 97 1.460 5.725 -8.929 1.00 0.00 H new ATOM 0 HA LYS A 97 0.604 8.045 -10.149 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.297 6.072 -12.016 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.235 5.928 -11.176 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.380 7.446 -13.124 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.769 8.265 -11.624 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.107 8.374 -12.318 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.070 9.140 -13.506 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.372 9.726 -10.579 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.968 10.495 -11.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.010 11.867 -11.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.588 11.376 -13.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.886 10.631 -12.247 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.230 6.822 -7.703 1.00 0.00 N ATOM 1606 CA GLU A 98 -1.081 6.715 -6.536 1.00 0.00 C ATOM 1607 C GLU A 98 -1.830 8.025 -6.273 1.00 0.00 C ATOM 1608 O GLU A 98 -2.764 8.065 -5.474 1.00 0.00 O ATOM 1609 CB GLU A 98 -0.232 6.323 -5.329 1.00 0.00 C ATOM 1610 CG GLU A 98 0.791 7.371 -4.916 1.00 0.00 C ATOM 1611 CD GLU A 98 1.628 7.911 -6.059 1.00 0.00 C ATOM 1612 OE1 GLU A 98 1.141 8.807 -6.780 1.00 0.00 O ATOM 1613 OE2 GLU A 98 2.771 7.440 -6.230 1.00 0.00 O ATOM 0 H GLU A 98 0.769 6.836 -7.496 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.831 5.945 -6.715 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.892 6.124 -4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.289 5.392 -5.553 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.271 8.201 -4.438 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.455 6.938 -4.168 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.422 9.090 -6.964 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.073 10.380 -6.806 1.00 0.00 C ATOM 1622 C GLY A 99 -1.891 10.981 -5.425 1.00 0.00 C ATOM 1623 O GLY A 99 -2.659 11.853 -5.018 1.00 0.00 O ATOM 0 H GLY A 99 -0.651 9.081 -7.631 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.678 11.072 -7.550 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.138 10.268 -7.008 1.00 0.00 H new ATOM 1627 N GLN A 100 -0.878 10.520 -4.701 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.609 11.028 -3.360 1.00 0.00 C ATOM 1629 C GLN A 100 0.886 11.179 -3.113 1.00 0.00 C ATOM 1630 O GLN A 100 1.569 10.215 -2.766 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.227 10.110 -2.305 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.621 10.536 -1.877 1.00 0.00 C ATOM 1633 CD GLN A 100 -2.609 11.766 -0.992 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -1.558 12.361 -0.751 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -3.780 12.155 -0.502 1.00 0.00 N ATOM 0 H GLN A 100 -0.231 9.798 -5.018 1.00 0.00 H new ATOM 0 HA GLN A 100 -1.066 12.015 -3.282 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -1.270 9.094 -2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.578 10.086 -1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -3.224 10.736 -2.763 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.100 9.715 -1.345 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -4.626 11.632 -0.728 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.833 12.977 0.100 1.00 0.00 H new ATOM 1644 N PRO A 101 1.409 12.402 -3.282 1.00 0.00 N ATOM 1645 CA PRO A 101 2.828 12.695 -3.070 1.00 0.00 C ATOM 1646 C PRO A 101 3.377 12.042 -1.803 1.00 0.00 C ATOM 1647 O PRO A 101 2.763 12.119 -0.738 1.00 0.00 O ATOM 1648 CB PRO A 101 2.821 14.212 -2.922 1.00 0.00 C ATOM 1649 CG PRO A 101 1.724 14.658 -3.819 1.00 0.00 C ATOM 1650 CD PRO A 101 0.656 13.607 -3.693 1.00 0.00 C ATOM 0 HA PRO A 101 3.460 12.317 -3.874 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.639 14.511 -1.890 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.777 14.646 -3.215 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.348 15.638 -3.524 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.069 14.746 -4.849 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -0.095 13.884 -2.953 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.132 13.451 -4.636 1.00 0.00 H new ATOM 1658 N GLY A 102 4.533 11.395 -1.925 1.00 0.00 N ATOM 1659 CA GLY A 102 5.135 10.737 -0.780 1.00 0.00 C ATOM 1660 C GLY A 102 6.619 11.026 -0.648 1.00 0.00 C ATOM 1661 O GLY A 102 7.205 11.706 -1.490 1.00 0.00 O ATOM 0 H GLY A 102 5.062 11.315 -2.794 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.625 11.059 0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 102 4.985 9.661 -0.865 1.00 0.00 H new ATOM 1665 N GLU A 103 7.224 10.503 0.414 1.00 0.00 N ATOM 1666 CA GLU A 103 8.648 10.699 0.667 1.00 0.00 C ATOM 1667 C GLU A 103 9.230 9.498 1.405 1.00 0.00 C ATOM 1668 O GLU A 103 8.502 8.756 2.063 1.00 0.00 O ATOM 1669 CB GLU A 103 8.874 11.974 1.480 1.00 0.00 C ATOM 1670 CG GLU A 103 9.081 13.214 0.625 1.00 0.00 C ATOM 1671 CD GLU A 103 10.532 13.422 0.242 1.00 0.00 C ATOM 1672 OE1 GLU A 103 11.373 13.560 1.153 1.00 0.00 O ATOM 1673 OE2 GLU A 103 10.828 13.445 -0.972 1.00 0.00 O ATOM 0 H GLU A 103 6.748 9.937 1.117 1.00 0.00 H new ATOM 0 HA GLU A 103 9.156 10.799 -0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.017 12.134 2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.744 11.836 2.122 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.478 13.132 -0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.723 14.089 1.168 1.00 0.00 H new ATOM 1680 N TRP A 104 10.543 9.308 1.297 1.00 0.00 N ATOM 1681 CA TRP A 104 11.196 8.185 1.966 1.00 0.00 C ATOM 1682 C TRP A 104 11.226 8.418 3.475 1.00 0.00 C ATOM 1683 O TRP A 104 11.989 9.247 3.970 1.00 0.00 O ATOM 1684 CB TRP A 104 12.628 7.981 1.438 1.00 0.00 C ATOM 1685 CG TRP A 104 12.835 8.457 0.028 1.00 0.00 C ATOM 1686 CD1 TRP A 104 11.925 8.434 -0.990 1.00 0.00 C ATOM 1687 CD2 TRP A 104 14.031 9.027 -0.515 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.483 8.954 -2.133 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.774 9.326 -1.867 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.294 9.316 0.010 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.735 9.897 -2.699 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.245 9.882 -0.817 1.00 0.00 C ATOM 1693 CH2 TRP A 104 15.961 10.168 -2.158 1.00 0.00 C ATOM 0 H TRP A 104 11.169 9.908 0.760 1.00 0.00 H new ATOM 0 HA TRP A 104 10.621 7.284 1.752 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.324 8.506 2.093 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.876 6.921 1.493 1.00 0.00 H new ATOM 0 HD1 TRP A 104 10.915 8.062 -0.909 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.012 9.048 -3.033 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.522 9.101 1.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.519 10.118 -3.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.225 10.108 -0.422 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.726 10.612 -2.778 1.00 0.00 H new ATOM 1704 N MET A 105 10.390 7.680 4.199 1.00 0.00 N ATOM 1705 CA MET A 105 10.316 7.803 5.651 1.00 0.00 C ATOM 1706 C MET A 105 10.655 6.481 6.329 1.00 0.00 C ATOM 1707 O MET A 105 10.436 5.411 5.764 1.00 0.00 O ATOM 1708 CB MET A 105 8.921 8.268 6.075 1.00 0.00 C ATOM 1709 CG MET A 105 7.823 7.260 5.777 1.00 0.00 C ATOM 1710 SD MET A 105 6.402 7.439 6.872 1.00 0.00 S ATOM 1711 CE MET A 105 5.329 8.464 5.869 1.00 0.00 C ATOM 0 H MET A 105 9.753 6.989 3.803 1.00 0.00 H new ATOM 0 HA MET A 105 11.049 8.547 5.965 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.928 8.479 7.144 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.690 9.204 5.567 1.00 0.00 H new ATOM 0 HG2 MET A 105 7.498 7.378 4.743 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.225 6.251 5.872 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.166 9.419 6.369 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.794 8.637 4.899 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.373 7.961 5.728 1.00 0.00 H new ATOM 1721 N SER A 106 11.177 6.559 7.547 1.00 0.00 N ATOM 1722 CA SER A 106 11.532 5.362 8.300 1.00 0.00 C ATOM 1723 C SER A 106 10.281 4.681 8.847 1.00 0.00 C ATOM 1724 O SER A 106 9.576 5.242 9.687 1.00 0.00 O ATOM 1725 CB SER A 106 12.480 5.716 9.449 1.00 0.00 C ATOM 1726 OG SER A 106 11.966 6.786 10.222 1.00 0.00 O ATOM 0 H SER A 106 11.364 7.436 8.033 1.00 0.00 H new ATOM 0 HA SER A 106 12.038 4.672 7.625 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.629 4.843 10.084 1.00 0.00 H new ATOM 0 HB3 SER A 106 13.456 5.989 9.048 1.00 0.00 H new ATOM 0 HG SER A 106 10.990 6.711 10.276 1.00 0.00 H new ATOM 1732 N LEU A 107 10.009 3.473 8.365 1.00 0.00 N ATOM 1733 CA LEU A 107 8.838 2.720 8.807 1.00 0.00 C ATOM 1734 C LEU A 107 8.858 2.503 10.318 1.00 0.00 C ATOM 1735 O LEU A 107 7.822 2.239 10.930 1.00 0.00 O ATOM 1736 CB LEU A 107 8.765 1.369 8.086 1.00 0.00 C ATOM 1737 CG LEU A 107 7.506 1.142 7.241 1.00 0.00 C ATOM 1738 CD1 LEU A 107 7.368 -0.328 6.876 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.263 1.624 7.978 1.00 0.00 C ATOM 0 H LEU A 107 10.581 2.994 7.670 1.00 0.00 H new ATOM 0 HA LEU A 107 7.953 3.306 8.557 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.638 1.273 7.440 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.831 0.575 8.830 1.00 0.00 H new ATOM 0 HG LEU A 107 7.605 1.722 6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 107 6.469 -0.471 6.276 1.00 0.00 H new ATOM 0 HD12 LEU A 107 8.240 -0.644 6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 107 7.296 -0.924 7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.383 1.452 7.358 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.160 1.076 8.915 1.00 0.00 H new ATOM 0 HD23 LEU A 107 6.356 2.689 8.189 1.00 0.00 H new ATOM 1751 N VAL A 108 10.041 2.616 10.918 1.00 0.00 N ATOM 1752 CA VAL A 108 10.192 2.432 12.358 1.00 0.00 C ATOM 1753 C VAL A 108 9.217 3.312 13.140 1.00 0.00 C ATOM 1754 O VAL A 108 8.915 3.035 14.301 1.00 0.00 O ATOM 1755 CB VAL A 108 11.632 2.745 12.812 1.00 0.00 C ATOM 1756 CG1 VAL A 108 11.991 4.190 12.500 1.00 0.00 C ATOM 1757 CG2 VAL A 108 11.805 2.452 14.297 1.00 0.00 C ATOM 0 H VAL A 108 10.909 2.834 10.428 1.00 0.00 H new ATOM 0 HA VAL A 108 9.969 1.386 12.567 1.00 0.00 H new ATOM 0 HB VAL A 108 12.313 2.099 12.258 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.011 4.391 12.828 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.915 4.360 11.426 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.304 4.856 13.022 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.828 2.680 14.596 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.113 3.067 14.872 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.598 1.399 14.487 1.00 0.00 H new ATOM 1767 N GLY A 109 8.729 4.372 12.501 1.00 0.00 N ATOM 1768 CA GLY A 109 7.800 5.269 13.156 1.00 0.00 C ATOM 1769 C GLY A 109 6.371 5.077 12.685 1.00 0.00 C ATOM 1770 O GLY A 109 5.590 6.028 12.648 1.00 0.00 O ATOM 0 H GLY A 109 8.962 4.624 11.540 1.00 0.00 H new ATOM 0 HA2 GLY A 109 7.847 5.111 14.234 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.104 6.299 12.971 1.00 0.00 H new ATOM 1774 N LEU A 110 6.028 3.844 12.329 1.00 0.00 N ATOM 1775 CA LEU A 110 4.680 3.531 11.865 1.00 0.00 C ATOM 1776 C LEU A 110 3.664 3.803 12.968 1.00 0.00 C ATOM 1777 O LEU A 110 3.811 3.318 14.090 1.00 0.00 O ATOM 1778 CB LEU A 110 4.596 2.066 11.431 1.00 0.00 C ATOM 1779 CG LEU A 110 3.418 1.720 10.514 1.00 0.00 C ATOM 1780 CD1 LEU A 110 2.105 2.182 11.125 1.00 0.00 C ATOM 1781 CD2 LEU A 110 3.612 2.339 9.139 1.00 0.00 C ATOM 0 H LEU A 110 6.663 3.046 12.352 1.00 0.00 H new ATOM 0 HA LEU A 110 4.452 4.168 11.010 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.522 1.802 10.920 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.535 1.443 12.323 1.00 0.00 H new ATOM 0 HG LEU A 110 3.380 0.636 10.403 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.283 1.926 10.457 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.958 1.690 12.086 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.131 3.262 11.270 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.766 2.082 8.502 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.679 3.423 9.234 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.530 1.956 8.694 1.00 0.00 H new ATOM 1793 N ASN A 111 2.639 4.591 12.652 1.00 0.00 N ATOM 1794 CA ASN A 111 1.619 4.928 13.632 1.00 0.00 C ATOM 1795 C ASN A 111 0.219 4.548 13.170 1.00 0.00 C ATOM 1796 O ASN A 111 -0.202 4.891 12.066 1.00 0.00 O ATOM 1797 CB ASN A 111 1.674 6.421 13.947 1.00 0.00 C ATOM 1798 CG ASN A 111 2.066 6.698 15.386 1.00 0.00 C ATOM 1799 OD1 ASN A 111 2.954 6.047 15.935 1.00 0.00 O ATOM 1800 ND2 ASN A 111 1.403 7.669 16.003 1.00 0.00 N ATOM 0 H ASN A 111 2.496 5.004 11.730 1.00 0.00 H new ATOM 0 HA ASN A 111 1.831 4.349 14.531 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.389 6.903 13.280 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.700 6.867 13.747 1.00 0.00 H new ATOM 0 HD21 ASN A 111 1.623 7.901 16.972 1.00 0.00 H new ATOM 0 HD22 ASN A 111 0.674 8.183 15.508 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.506 3.861 14.048 1.00 0.00 N ATOM 1808 CA ALA A 112 -1.873 3.459 13.760 1.00 0.00 C ATOM 1809 C ALA A 112 -2.801 4.678 13.799 1.00 0.00 C ATOM 1810 O ALA A 112 -3.942 4.620 13.342 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.345 2.391 14.742 1.00 0.00 C ATOM 0 H ALA A 112 -0.166 3.572 14.965 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.902 3.030 12.759 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.370 2.107 14.506 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.699 1.516 14.666 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.303 2.786 15.757 1.00 0.00 H new ATOM 1817 N ASP A 113 -2.304 5.778 14.365 1.00 0.00 N ATOM 1818 CA ASP A 113 -3.081 7.009 14.471 1.00 0.00 C ATOM 1819 C ASP A 113 -3.114 7.771 13.144 1.00 0.00 C ATOM 1820 O ASP A 113 -4.179 8.182 12.686 1.00 0.00 O ATOM 1821 CB ASP A 113 -2.503 7.905 15.568 1.00 0.00 C ATOM 1822 CG ASP A 113 -3.492 8.952 16.041 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -4.607 8.571 16.458 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -3.153 10.153 15.994 1.00 0.00 O ATOM 0 H ASP A 113 -1.365 5.840 14.757 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.104 6.733 14.727 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -2.199 7.289 16.414 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.606 8.399 15.195 1.00 0.00 H new ATOM 1829 N ASP A 114 -1.944 7.963 12.533 1.00 0.00 N ATOM 1830 CA ASP A 114 -1.855 8.686 11.262 1.00 0.00 C ATOM 1831 C ASP A 114 -2.535 7.907 10.145 1.00 0.00 C ATOM 1832 O ASP A 114 -3.210 8.486 9.295 1.00 0.00 O ATOM 1833 CB ASP A 114 -0.397 8.978 10.869 1.00 0.00 C ATOM 1834 CG ASP A 114 0.628 8.392 11.821 1.00 0.00 C ATOM 1835 OD1 ASP A 114 0.763 8.917 12.946 1.00 0.00 O ATOM 1836 OD2 ASP A 114 1.298 7.409 11.438 1.00 0.00 O ATOM 0 H ASP A 114 -1.050 7.631 12.894 1.00 0.00 H new ATOM 0 HA ASP A 114 -2.369 9.637 11.404 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.215 8.585 9.869 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.255 10.057 10.818 1.00 0.00 H new ATOM 1841 N PHE A 115 -2.356 6.595 10.152 1.00 0.00 N ATOM 1842 CA PHE A 115 -2.956 5.736 9.142 1.00 0.00 C ATOM 1843 C PHE A 115 -4.433 5.493 9.471 1.00 0.00 C ATOM 1844 O PHE A 115 -4.899 5.864 10.549 1.00 0.00 O ATOM 1845 CB PHE A 115 -2.185 4.405 9.072 1.00 0.00 C ATOM 1846 CG PHE A 115 -2.899 3.259 9.726 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.328 3.375 11.027 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.144 2.083 9.044 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -3.991 2.343 11.652 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.808 1.043 9.660 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.231 1.173 10.968 1.00 0.00 C ATOM 0 H PHE A 115 -1.798 6.100 10.848 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.899 6.224 8.169 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.000 4.157 8.027 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -1.212 4.534 9.546 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.142 4.291 11.568 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.813 1.977 8.021 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.321 2.451 12.675 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.997 0.127 9.120 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.749 0.359 11.453 1.00 0.00 H new ATOM 1861 N PRO A 116 -5.190 4.854 8.562 1.00 0.00 N ATOM 1862 CA PRO A 116 -6.607 4.562 8.799 1.00 0.00 C ATOM 1863 C PRO A 116 -6.783 3.475 9.861 1.00 0.00 C ATOM 1864 O PRO A 116 -6.189 2.405 9.759 1.00 0.00 O ATOM 1865 CB PRO A 116 -7.099 4.067 7.437 1.00 0.00 C ATOM 1866 CG PRO A 116 -5.884 3.517 6.772 1.00 0.00 C ATOM 1867 CD PRO A 116 -4.730 4.356 7.252 1.00 0.00 C ATOM 0 HA PRO A 116 -7.156 5.427 9.170 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.869 3.304 7.548 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.536 4.879 6.855 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.738 2.469 7.032 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -5.977 3.567 5.687 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.817 3.768 7.344 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -4.515 5.174 6.564 1.00 0.00 H new ATOM 1875 N PRO A 117 -7.595 3.735 10.902 1.00 0.00 N ATOM 1876 CA PRO A 117 -7.826 2.769 11.989 1.00 0.00 C ATOM 1877 C PRO A 117 -8.484 1.474 11.516 1.00 0.00 C ATOM 1878 O PRO A 117 -8.502 0.479 12.241 1.00 0.00 O ATOM 1879 CB PRO A 117 -8.759 3.518 12.949 1.00 0.00 C ATOM 1880 CG PRO A 117 -9.379 4.594 12.126 1.00 0.00 C ATOM 1881 CD PRO A 117 -8.342 4.986 11.114 1.00 0.00 C ATOM 0 HA PRO A 117 -6.885 2.453 12.439 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -9.516 2.852 13.363 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -8.206 3.935 13.791 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -10.287 4.239 11.638 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.662 5.445 12.745 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.795 5.346 10.191 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.697 5.783 11.485 1.00 0.00 H new ATOM 1889 N ALA A 118 -9.031 1.492 10.307 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.698 0.320 9.751 1.00 0.00 C ATOM 1891 C ALA A 118 -8.711 -0.782 9.370 1.00 0.00 C ATOM 1892 O ALA A 118 -9.119 -1.891 9.027 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.533 0.718 8.543 1.00 0.00 C ATOM 0 H ALA A 118 -9.026 2.306 9.692 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.348 -0.083 10.527 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -11.027 -0.164 8.135 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.285 1.448 8.845 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.887 1.156 7.782 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.420 -0.472 9.406 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.399 -1.447 9.033 1.00 0.00 C ATOM 1901 C ASN A 119 -5.362 -1.642 10.142 1.00 0.00 C ATOM 1902 O ASN A 119 -4.176 -1.826 9.867 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.718 -0.982 7.745 1.00 0.00 C ATOM 1904 CG ASN A 119 -6.201 -1.744 6.528 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -5.405 -2.213 5.717 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.517 -1.865 6.393 1.00 0.00 N ATOM 0 H ASN A 119 -7.056 0.439 9.687 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.883 -2.411 8.876 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.906 0.082 7.602 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.639 -1.105 7.843 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -7.904 -2.363 5.591 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -8.141 -1.460 7.091 1.00 0.00 H new ATOM 1913 N GLU A 120 -5.808 -1.602 11.394 1.00 0.00 N ATOM 1914 CA GLU A 120 -4.902 -1.769 12.530 1.00 0.00 C ATOM 1915 C GLU A 120 -4.371 -3.201 12.638 1.00 0.00 C ATOM 1916 O GLU A 120 -3.197 -3.402 12.931 1.00 0.00 O ATOM 1917 CB GLU A 120 -5.590 -1.355 13.834 1.00 0.00 C ATOM 1918 CG GLU A 120 -4.932 -0.164 14.512 1.00 0.00 C ATOM 1919 CD GLU A 120 -4.901 -0.299 16.022 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -4.101 -1.114 16.529 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -5.675 0.409 16.697 1.00 0.00 O ATOM 0 H GLU A 120 -6.785 -1.456 11.649 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.046 -1.116 12.358 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -6.633 -1.115 13.626 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -5.589 -2.201 14.521 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.914 -0.055 14.139 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.469 0.746 14.243 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.218 -4.221 12.414 1.00 0.00 N ATOM 1929 CA PRO A 121 -4.790 -5.624 12.503 1.00 0.00 C ATOM 1930 C PRO A 121 -3.594 -5.932 11.603 1.00 0.00 C ATOM 1931 O PRO A 121 -2.680 -6.657 11.995 1.00 0.00 O ATOM 1932 CB PRO A 121 -6.022 -6.405 12.039 1.00 0.00 C ATOM 1933 CG PRO A 121 -7.172 -5.490 12.286 1.00 0.00 C ATOM 1934 CD PRO A 121 -6.645 -4.099 12.069 1.00 0.00 C ATOM 0 HA PRO A 121 -4.459 -5.881 13.509 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -5.948 -6.670 10.984 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -6.132 -7.336 12.595 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -7.996 -5.706 11.606 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.555 -5.609 13.299 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.783 -3.772 11.038 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.152 -3.373 12.704 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.607 -5.374 10.397 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.528 -5.584 9.437 1.00 0.00 C ATOM 1944 C VAL A 122 -1.318 -4.735 9.791 1.00 0.00 C ATOM 1945 O VAL A 122 -0.194 -5.229 9.875 1.00 0.00 O ATOM 1946 CB VAL A 122 -2.966 -5.223 8.003 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -1.978 -5.769 6.986 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.370 -5.732 7.717 1.00 0.00 C ATOM 0 H VAL A 122 -4.356 -4.770 10.060 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.271 -6.642 9.481 1.00 0.00 H new ATOM 0 HB VAL A 122 -2.979 -4.136 7.918 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.306 -5.503 5.981 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.992 -5.342 7.171 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.926 -6.854 7.075 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.654 -5.464 6.699 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.393 -6.816 7.827 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.071 -5.281 8.420 1.00 0.00 H new ATOM 1958 N ILE A 123 -1.565 -3.448 9.990 1.00 0.00 N ATOM 1959 CA ILE A 123 -0.513 -2.506 10.327 1.00 0.00 C ATOM 1960 C ILE A 123 0.077 -2.807 11.700 1.00 0.00 C ATOM 1961 O ILE A 123 1.252 -2.547 11.947 1.00 0.00 O ATOM 1962 CB ILE A 123 -1.042 -1.058 10.278 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -0.999 -0.546 8.832 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.247 -0.148 11.207 1.00 0.00 C ATOM 1965 CD1 ILE A 123 0.227 0.277 8.505 1.00 0.00 C ATOM 0 H ILE A 123 -2.494 -3.032 9.923 1.00 0.00 H new ATOM 0 HA ILE A 123 0.279 -2.614 9.586 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.075 -1.049 10.626 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.042 -1.399 8.154 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.888 0.056 8.644 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -0.644 0.866 11.150 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -0.328 -0.513 12.231 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.800 -0.145 10.905 1.00 0.00 H new ATOM 0 HD11 ILE A 123 0.181 0.601 7.465 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.263 1.151 9.156 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.122 -0.326 8.658 1.00 0.00 H new ATOM 1977 N ALA A 124 -0.738 -3.362 12.587 1.00 0.00 N ATOM 1978 CA ALA A 124 -0.281 -3.702 13.928 1.00 0.00 C ATOM 1979 C ALA A 124 0.946 -4.599 13.854 1.00 0.00 C ATOM 1980 O ALA A 124 1.824 -4.546 14.715 1.00 0.00 O ATOM 1981 CB ALA A 124 -1.392 -4.383 14.714 1.00 0.00 C ATOM 0 H ALA A 124 -1.716 -3.586 12.403 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.009 -2.782 14.446 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -1.032 -4.630 15.713 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -2.247 -3.711 14.792 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -1.693 -5.296 14.201 1.00 0.00 H new ATOM 1987 N LYS A 125 0.998 -5.418 12.809 1.00 0.00 N ATOM 1988 CA LYS A 125 2.123 -6.326 12.609 1.00 0.00 C ATOM 1989 C LYS A 125 3.415 -5.547 12.363 1.00 0.00 C ATOM 1990 O LYS A 125 4.426 -5.779 13.027 1.00 0.00 O ATOM 1991 CB LYS A 125 1.846 -7.264 11.433 1.00 0.00 C ATOM 1992 CG LYS A 125 2.774 -8.466 11.383 1.00 0.00 C ATOM 1993 CD LYS A 125 3.923 -8.243 10.411 1.00 0.00 C ATOM 1994 CE LYS A 125 5.074 -9.198 10.683 1.00 0.00 C ATOM 1995 NZ LYS A 125 4.981 -10.432 9.854 1.00 0.00 N ATOM 0 H LYS A 125 0.277 -5.472 12.089 1.00 0.00 H new ATOM 0 HA LYS A 125 2.245 -6.919 13.515 1.00 0.00 H new ATOM 0 HB2 LYS A 125 0.815 -7.613 11.493 1.00 0.00 H new ATOM 0 HB3 LYS A 125 1.940 -6.704 10.502 1.00 0.00 H new ATOM 0 HG2 LYS A 125 3.171 -8.662 12.379 1.00 0.00 H new ATOM 0 HG3 LYS A 125 2.210 -9.350 11.085 1.00 0.00 H new ATOM 0 HD2 LYS A 125 3.569 -8.380 9.389 1.00 0.00 H new ATOM 0 HD3 LYS A 125 4.275 -7.215 10.491 1.00 0.00 H new ATOM 0 HE2 LYS A 125 6.019 -8.694 10.479 1.00 0.00 H new ATOM 0 HE3 LYS A 125 5.078 -9.470 11.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 5.784 -11.056 10.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 4.091 -10.927 10.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 5.003 -10.176 8.846 1.00 0.00 H new ATOM 2009 N LEU A 126 3.376 -4.628 11.402 1.00 0.00 N ATOM 2010 CA LEU A 126 4.544 -3.818 11.064 1.00 0.00 C ATOM 2011 C LEU A 126 4.747 -2.692 12.074 1.00 0.00 C ATOM 2012 O LEU A 126 5.872 -2.255 12.315 1.00 0.00 O ATOM 2013 CB LEU A 126 4.395 -3.229 9.657 1.00 0.00 C ATOM 2014 CG LEU A 126 5.617 -3.393 8.752 1.00 0.00 C ATOM 2015 CD1 LEU A 126 6.070 -4.846 8.713 1.00 0.00 C ATOM 2016 CD2 LEU A 126 5.310 -2.887 7.350 1.00 0.00 C ATOM 0 H LEU A 126 2.548 -4.425 10.843 1.00 0.00 H new ATOM 0 HA LEU A 126 5.418 -4.468 11.093 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.538 -3.697 9.173 1.00 0.00 H new ATOM 0 HB3 LEU A 126 4.169 -2.167 9.747 1.00 0.00 H new ATOM 0 HG LEU A 126 6.432 -2.797 9.163 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.940 -4.938 8.063 1.00 0.00 H new ATOM 0 HD12 LEU A 126 6.332 -5.173 9.719 1.00 0.00 H new ATOM 0 HD13 LEU A 126 5.262 -5.469 8.328 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.189 -3.010 6.718 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.480 -3.456 6.932 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.041 -1.832 7.395 1.00 0.00 H new ATOM 2028 N LYS A 127 3.649 -2.223 12.656 1.00 0.00 N ATOM 2029 CA LYS A 127 3.696 -1.142 13.636 1.00 0.00 C ATOM 2030 C LYS A 127 4.623 -1.488 14.789 1.00 0.00 C ATOM 2031 O LYS A 127 5.411 -0.657 15.240 1.00 0.00 O ATOM 2032 CB LYS A 127 2.301 -0.873 14.172 1.00 0.00 C ATOM 2033 CG LYS A 127 2.192 0.414 14.971 1.00 0.00 C ATOM 2034 CD LYS A 127 0.743 0.774 15.257 1.00 0.00 C ATOM 2035 CE LYS A 127 0.573 1.323 16.664 1.00 0.00 C ATOM 2036 NZ LYS A 127 1.373 2.560 16.878 1.00 0.00 N ATOM 0 H LYS A 127 2.711 -2.576 12.466 1.00 0.00 H new ATOM 0 HA LYS A 127 4.080 -0.251 13.140 1.00 0.00 H new ATOM 0 HB2 LYS A 127 1.602 -0.832 13.337 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.996 -1.708 14.802 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.733 0.306 15.911 1.00 0.00 H new ATOM 0 HG3 LYS A 127 2.667 1.226 14.421 1.00 0.00 H new ATOM 0 HD2 LYS A 127 0.401 1.513 14.533 1.00 0.00 H new ATOM 0 HD3 LYS A 127 0.116 -0.109 15.131 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -0.480 1.536 16.846 1.00 0.00 H new ATOM 0 HE3 LYS A 127 0.875 0.566 17.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 2.096 2.384 17.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 1.836 2.832 15.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 0.747 3.329 17.192 1.00 0.00 H new ATOM 2050 N ARG A 128 4.533 -2.728 15.249 1.00 0.00 N ATOM 2051 CA ARG A 128 5.377 -3.196 16.336 1.00 0.00 C ATOM 2052 C ARG A 128 6.801 -3.422 15.835 1.00 0.00 C ATOM 2053 O ARG A 128 7.702 -3.735 16.612 1.00 0.00 O ATOM 2054 CB ARG A 128 4.806 -4.487 16.927 1.00 0.00 C ATOM 2055 CG ARG A 128 5.711 -5.149 17.954 1.00 0.00 C ATOM 2056 CD ARG A 128 5.036 -6.347 18.603 1.00 0.00 C ATOM 2057 NE ARG A 128 5.018 -7.510 17.719 1.00 0.00 N ATOM 2058 CZ ARG A 128 4.209 -8.554 17.885 1.00 0.00 C ATOM 2059 NH1 ARG A 128 3.353 -8.584 18.899 1.00 0.00 N ATOM 2060 NH2 ARG A 128 4.256 -9.570 17.035 1.00 0.00 N ATOM 0 H ARG A 128 3.884 -3.426 14.886 1.00 0.00 H new ATOM 0 HA ARG A 128 5.401 -2.437 17.118 1.00 0.00 H new ATOM 0 HB2 ARG A 128 3.845 -4.268 17.392 1.00 0.00 H new ATOM 0 HB3 ARG A 128 4.615 -5.192 16.118 1.00 0.00 H new ATOM 0 HG2 ARG A 128 6.636 -5.468 17.473 1.00 0.00 H new ATOM 0 HG3 ARG A 128 5.984 -4.424 18.721 1.00 0.00 H new ATOM 0 HD2 ARG A 128 5.557 -6.601 19.526 1.00 0.00 H new ATOM 0 HD3 ARG A 128 4.014 -6.083 18.876 1.00 0.00 H new ATOM 0 HE ARG A 128 5.663 -7.523 16.929 1.00 0.00 H new ATOM 0 HH11 ARG A 128 3.313 -7.805 19.556 1.00 0.00 H new ATOM 0 HH12 ARG A 128 2.735 -9.386 19.021 1.00 0.00 H new ATOM 0 HH21 ARG A 128 4.912 -9.552 16.254 1.00 0.00 H new ATOM 0 HH22 ARG A 128 3.636 -10.370 17.162 1.00 0.00 H new ATOM 2074 N LEU A 129 6.994 -3.258 14.523 1.00 0.00 N ATOM 2075 CA LEU A 129 8.306 -3.439 13.905 1.00 0.00 C ATOM 2076 C LEU A 129 8.981 -4.714 14.406 1.00 0.00 C ATOM 2077 O LEU A 129 8.945 -5.750 13.742 1.00 0.00 O ATOM 2078 CB LEU A 129 9.214 -2.225 14.170 1.00 0.00 C ATOM 2079 CG LEU A 129 8.623 -1.126 15.064 1.00 0.00 C ATOM 2080 CD1 LEU A 129 9.021 -1.344 16.516 1.00 0.00 C ATOM 2081 CD2 LEU A 129 9.073 0.247 14.586 1.00 0.00 C ATOM 0 H LEU A 129 6.255 -3.000 13.869 1.00 0.00 H new ATOM 0 HA LEU A 129 8.150 -3.530 12.830 1.00 0.00 H new ATOM 0 HB2 LEU A 129 10.138 -2.580 14.627 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.483 -1.781 13.211 1.00 0.00 H new ATOM 0 HG LEU A 129 7.536 -1.176 14.997 1.00 0.00 H new ATOM 0 HD11 LEU A 129 8.592 -0.555 17.133 1.00 0.00 H new ATOM 0 HD12 LEU A 129 8.649 -2.311 16.854 1.00 0.00 H new ATOM 0 HD13 LEU A 129 10.107 -1.323 16.603 1.00 0.00 H new ATOM 0 HD21 LEU A 129 8.645 1.015 15.231 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.161 0.307 14.623 1.00 0.00 H new ATOM 0 HD23 LEU A 129 8.736 0.404 13.561 1.00 0.00 H new