USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 907 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 99 SER OG : rot 11:sc= 0.634 USER MOD Set 1.2: A 106 ASN : amide:sc= -1.93! C(o=-1.3!,f=-4.5!) USER MOD Set 2.1: A 98 GLN : amide:sc= 0.0287 K(o=0.061,f=0.85) USER MOD Set 2.2: A 102 ASN : amide:sc= 0.0319 K(o=0.061,f=0.85) USER MOD Set 3.1: A 18 GLN : amide:sc= -0.872! X(o=-0.4!,f=-0.054) USER MOD Set 3.2: A 97 TYR OH : rot 145:sc= 0.469 USER MOD Single : A 8 GLN : amide:sc= -3.84! K(o=-3.8!,f=-0.35) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.214) USER MOD Single : A 14 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 15 TYR OH : rot 30:sc= -0.459 USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= 1.26 (180deg=1.17) USER MOD Single : A 26 GLN : amide:sc= 0.0204 K(o=0.02,f=-0.5) USER MOD Single : A 28 SER OG : rot 176:sc= 0.0226 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0173) USER MOD Single : A 34 ASN : amide:sc= -0.0834 K(o=-0.083,f=-3.3!) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 146:sc= -2.48! (180deg=-4.46!) USER MOD Single : A 55 TYR OH : rot -140:sc= 0.732 USER MOD Single : A 59 CYS SG : rot 179:sc= -1.55! USER MOD Single : A 60 LYS NZ :NH3+ -143:sc= -0.682! (180deg=-4.99!) USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 72 ASN : amide:sc= -1.68 X(o=-1.7,f=-2.2) USER MOD Single : A 73 TYR OH : rot -19:sc= -0.32 USER MOD Single : A 77 LYS NZ :NH3+ -146:sc= -2.17! (180deg=-4.51!) USER MOD Single : A 78 ASN : amide:sc= -0.135 K(o=-0.13,f=-3.1!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 57:sc= 1.22 USER MOD Single : A 86 HIS : no HE2:sc= -0.807 X(o=-0.81,f=-0.37) USER MOD Single : A 87 TYR OH : rot 165:sc= -0.0747 USER MOD Single : A 92 TYR OH : rot -113:sc= -0.42! USER MOD Single : A 94 TYR OH : rot -114:sc= 0.965 USER MOD Single : A 96 MET CE :methyl -143:sc= -0.212 (180deg=-1.7) USER MOD Single : A 105 CYS SG : rot -3:sc= 0.00841 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= -1.04! K(o=-1!,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 45 N GLU A 4 9.436 12.794 -3.052 1.00 0.00 N ATOM 46 CA GLU A 4 9.987 11.975 -1.975 1.00 0.00 C ATOM 47 C GLU A 4 10.116 10.510 -2.399 1.00 0.00 C ATOM 48 O GLU A 4 10.842 9.738 -1.768 1.00 0.00 O ATOM 49 CB GLU A 4 9.127 12.099 -0.708 1.00 0.00 C ATOM 50 CG GLU A 4 9.292 13.421 0.040 1.00 0.00 C ATOM 51 CD GLU A 4 8.901 14.639 -0.785 1.00 0.00 C ATOM 52 OE1 GLU A 4 7.692 14.930 -0.893 1.00 0.00 O ATOM 53 OE2 GLU A 4 9.803 15.318 -1.323 1.00 0.00 O ATOM 0 HA GLU A 4 10.988 12.346 -1.753 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.079 11.979 -0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.376 11.280 -0.033 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.685 13.395 0.945 1.00 0.00 H new ATOM 0 HG3 GLU A 4 10.330 13.524 0.355 1.00 0.00 H new ATOM 60 N LEU A 5 9.406 10.127 -3.460 1.00 0.00 N ATOM 61 CA LEU A 5 9.547 8.790 -4.035 1.00 0.00 C ATOM 62 C LEU A 5 10.648 8.824 -5.098 1.00 0.00 C ATOM 63 O LEU A 5 11.576 8.014 -5.084 1.00 0.00 O ATOM 64 CB LEU A 5 8.225 8.312 -4.665 1.00 0.00 C ATOM 65 CG LEU A 5 8.148 6.796 -4.934 1.00 0.00 C ATOM 66 CD1 LEU A 5 7.863 6.033 -3.642 1.00 0.00 C ATOM 67 CD2 LEU A 5 7.106 6.463 -6.001 1.00 0.00 C ATOM 0 H LEU A 5 8.729 10.722 -3.938 1.00 0.00 H new ATOM 0 HA LEU A 5 9.810 8.090 -3.242 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.403 8.592 -4.006 1.00 0.00 H new ATOM 0 HB3 LEU A 5 8.075 8.842 -5.606 1.00 0.00 H new ATOM 0 HG LEU A 5 9.119 6.481 -5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.813 4.965 -3.854 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.660 6.223 -2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 5 6.912 6.366 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.082 5.385 -6.162 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.125 6.802 -5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.367 6.964 -6.933 1.00 0.00 H new ATOM 79 N GLU A 6 10.540 9.807 -5.991 1.00 0.00 N ATOM 80 CA GLU A 6 11.499 10.026 -7.078 1.00 0.00 C ATOM 81 C GLU A 6 12.921 10.221 -6.548 1.00 0.00 C ATOM 82 O GLU A 6 13.889 10.177 -7.315 1.00 0.00 O ATOM 83 CB GLU A 6 11.073 11.257 -7.887 1.00 0.00 C ATOM 84 CG GLU A 6 9.853 11.033 -8.779 1.00 0.00 C ATOM 85 CD GLU A 6 10.209 10.381 -10.108 1.00 0.00 C ATOM 86 OE1 GLU A 6 10.751 11.093 -10.987 1.00 0.00 O ATOM 87 OE2 GLU A 6 9.943 9.174 -10.290 1.00 0.00 O ATOM 0 H GLU A 6 9.776 10.483 -5.982 1.00 0.00 H new ATOM 0 HA GLU A 6 11.502 9.140 -7.713 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.859 12.074 -7.198 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.909 11.576 -8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.133 10.406 -8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.365 11.989 -8.967 1.00 0.00 H new ATOM 94 N ALA A 7 13.031 10.465 -5.242 1.00 0.00 N ATOM 95 CA ALA A 7 14.321 10.563 -4.559 1.00 0.00 C ATOM 96 C ALA A 7 15.302 9.472 -5.011 1.00 0.00 C ATOM 97 O ALA A 7 16.513 9.704 -5.073 1.00 0.00 O ATOM 98 CB ALA A 7 14.114 10.496 -3.050 1.00 0.00 C ATOM 0 H ALA A 7 12.228 10.600 -4.628 1.00 0.00 H new ATOM 0 HA ALA A 7 14.763 11.523 -4.826 1.00 0.00 H new ATOM 0 HB1 ALA A 7 15.078 10.569 -2.547 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.476 11.321 -2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.640 9.550 -2.789 1.00 0.00 H new ATOM 104 N GLN A 8 14.779 8.284 -5.326 1.00 0.00 N ATOM 105 CA GLN A 8 15.607 7.188 -5.833 1.00 0.00 C ATOM 106 C GLN A 8 15.516 7.122 -7.358 1.00 0.00 C ATOM 107 O GLN A 8 14.442 7.310 -7.933 1.00 0.00 O ATOM 108 CB GLN A 8 15.180 5.856 -5.203 1.00 0.00 C ATOM 109 CG GLN A 8 15.289 5.821 -3.677 1.00 0.00 C ATOM 110 CD GLN A 8 16.710 5.628 -3.146 1.00 0.00 C ATOM 111 OE1 GLN A 8 16.899 5.050 -2.075 1.00 0.00 O ATOM 112 NE2 GLN A 8 17.718 6.111 -3.863 1.00 0.00 N ATOM 0 H GLN A 8 13.788 8.057 -5.239 1.00 0.00 H new ATOM 0 HA GLN A 8 16.645 7.375 -5.557 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.149 5.646 -5.487 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.794 5.057 -5.618 1.00 0.00 H new ATOM 0 HG2 GLN A 8 14.888 6.752 -3.276 1.00 0.00 H new ATOM 0 HG3 GLN A 8 14.661 5.014 -3.299 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.534 6.586 -4.747 1.00 0.00 H new ATOM 0 HE22 GLN A 8 18.676 6.007 -3.530 1.00 0.00 H new ATOM 121 N THR A 9 16.634 6.812 -8.007 1.00 0.00 N ATOM 122 CA THR A 9 16.756 6.971 -9.454 1.00 0.00 C ATOM 123 C THR A 9 16.718 5.633 -10.197 1.00 0.00 C ATOM 124 O THR A 9 17.260 4.630 -9.732 1.00 0.00 O ATOM 125 CB THR A 9 18.064 7.720 -9.793 1.00 0.00 C ATOM 126 OG1 THR A 9 18.166 8.892 -8.970 1.00 0.00 O ATOM 127 CG2 THR A 9 18.113 8.122 -11.266 1.00 0.00 C ATOM 0 H THR A 9 17.472 6.448 -7.553 1.00 0.00 H new ATOM 0 HA THR A 9 15.896 7.551 -9.787 1.00 0.00 H new ATOM 0 HB THR A 9 18.902 7.050 -9.600 1.00 0.00 H new ATOM 0 HG1 THR A 9 18.996 9.369 -9.181 1.00 0.00 H new ATOM 0 HG21 THR A 9 19.047 8.647 -11.469 1.00 0.00 H new ATOM 0 HG22 THR A 9 18.055 7.229 -11.889 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.272 8.777 -11.493 1.00 0.00 H new ATOM 135 N ARG A 10 16.026 5.640 -11.341 1.00 0.00 N ATOM 136 CA ARG A 10 15.917 4.489 -12.253 1.00 0.00 C ATOM 137 C ARG A 10 15.344 3.233 -11.587 1.00 0.00 C ATOM 138 O ARG A 10 15.272 2.177 -12.213 1.00 0.00 O ATOM 139 CB ARG A 10 17.283 4.176 -12.886 1.00 0.00 C ATOM 140 CG ARG A 10 17.761 5.240 -13.867 1.00 0.00 C ATOM 141 CD ARG A 10 19.119 4.898 -14.469 1.00 0.00 C ATOM 142 NE ARG A 10 19.479 5.817 -15.551 1.00 0.00 N ATOM 143 CZ ARG A 10 20.629 5.765 -16.225 1.00 0.00 C ATOM 144 NH1 ARG A 10 21.571 4.899 -15.876 1.00 0.00 N ATOM 145 NH2 ARG A 10 20.843 6.593 -17.237 1.00 0.00 N ATOM 0 H ARG A 10 15.515 6.460 -11.668 1.00 0.00 H new ATOM 0 HA ARG A 10 15.207 4.780 -13.027 1.00 0.00 H new ATOM 0 HB2 ARG A 10 18.024 4.065 -12.094 1.00 0.00 H new ATOM 0 HB3 ARG A 10 17.223 3.218 -13.403 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.028 5.350 -14.666 1.00 0.00 H new ATOM 0 HG3 ARG A 10 17.823 6.201 -13.357 1.00 0.00 H new ATOM 0 HD2 ARG A 10 19.882 4.935 -13.691 1.00 0.00 H new ATOM 0 HD3 ARG A 10 19.102 3.877 -14.850 1.00 0.00 H new ATOM 0 HE ARG A 10 18.808 6.542 -15.805 1.00 0.00 H new ATOM 0 HH11 ARG A 10 21.418 4.269 -15.089 1.00 0.00 H new ATOM 0 HH12 ARG A 10 22.449 4.863 -16.395 1.00 0.00 H new ATOM 0 HH21 ARG A 10 20.128 7.271 -17.501 1.00 0.00 H new ATOM 0 HH22 ARG A 10 21.723 6.553 -17.752 1.00 0.00 H new ATOM 159 N VAL A 11 14.921 3.350 -10.336 1.00 0.00 N ATOM 160 CA VAL A 11 14.175 2.288 -9.674 1.00 0.00 C ATOM 161 C VAL A 11 12.741 2.747 -9.436 1.00 0.00 C ATOM 162 O VAL A 11 11.784 2.009 -9.673 1.00 0.00 O ATOM 163 CB VAL A 11 14.844 1.855 -8.342 1.00 0.00 C ATOM 164 CG1 VAL A 11 15.015 3.042 -7.397 1.00 0.00 C ATOM 165 CG2 VAL A 11 14.052 0.727 -7.676 1.00 0.00 C ATOM 0 H VAL A 11 15.083 4.174 -9.757 1.00 0.00 H new ATOM 0 HA VAL A 11 14.172 1.414 -10.325 1.00 0.00 H new ATOM 0 HB VAL A 11 15.839 1.475 -8.575 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.486 2.707 -6.473 1.00 0.00 H new ATOM 0 HG12 VAL A 11 15.642 3.797 -7.871 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.039 3.471 -7.171 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.540 0.441 -6.744 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.039 1.069 -7.465 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.012 -0.133 -8.344 1.00 0.00 H new ATOM 175 N LYS A 12 12.603 3.995 -8.995 1.00 0.00 N ATOM 176 CA LYS A 12 11.296 4.576 -8.722 1.00 0.00 C ATOM 177 C LYS A 12 10.638 5.059 -10.008 1.00 0.00 C ATOM 178 O LYS A 12 9.420 5.171 -10.075 1.00 0.00 O ATOM 179 CB LYS A 12 11.424 5.730 -7.722 1.00 0.00 C ATOM 180 CG LYS A 12 11.798 5.287 -6.309 1.00 0.00 C ATOM 181 CD LYS A 12 10.754 4.343 -5.717 1.00 0.00 C ATOM 182 CE LYS A 12 10.805 4.298 -4.191 1.00 0.00 C ATOM 183 NZ LYS A 12 12.105 3.806 -3.666 1.00 0.00 N ATOM 0 H LYS A 12 13.386 4.624 -8.819 1.00 0.00 H new ATOM 0 HA LYS A 12 10.664 3.803 -8.285 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.177 6.429 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.479 6.271 -7.684 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.768 4.790 -6.328 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.901 6.163 -5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 12 9.761 4.660 -6.035 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.910 3.339 -6.112 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.615 5.297 -3.797 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.005 3.654 -3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.944 2.968 -3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.727 3.552 -4.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.555 4.552 -3.099 1.00 0.00 H new ATOM 197 N LEU A 13 11.451 5.333 -11.027 1.00 0.00 N ATOM 198 CA LEU A 13 10.935 5.766 -12.325 1.00 0.00 C ATOM 199 C LEU A 13 9.986 4.712 -12.898 1.00 0.00 C ATOM 200 O LEU A 13 8.807 4.985 -13.148 1.00 0.00 O ATOM 201 CB LEU A 13 12.088 6.031 -13.309 1.00 0.00 C ATOM 202 CG LEU A 13 13.079 7.132 -12.892 1.00 0.00 C ATOM 203 CD1 LEU A 13 14.177 7.298 -13.941 1.00 0.00 C ATOM 204 CD2 LEU A 13 12.354 8.457 -12.658 1.00 0.00 C ATOM 0 H LEU A 13 12.467 5.263 -10.979 1.00 0.00 H new ATOM 0 HA LEU A 13 10.384 6.695 -12.180 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.642 5.103 -13.450 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.662 6.298 -14.276 1.00 0.00 H new ATOM 0 HG LEU A 13 13.545 6.829 -11.954 1.00 0.00 H new ATOM 0 HD11 LEU A 13 14.866 8.081 -13.626 1.00 0.00 H new ATOM 0 HD12 LEU A 13 14.720 6.359 -14.051 1.00 0.00 H new ATOM 0 HD13 LEU A 13 13.729 7.572 -14.896 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.075 9.220 -12.364 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.854 8.765 -13.576 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.615 8.333 -11.866 1.00 0.00 H new ATOM 216 N ASN A 14 10.510 3.497 -13.070 1.00 0.00 N ATOM 217 CA ASN A 14 9.730 2.386 -13.613 1.00 0.00 C ATOM 218 C ASN A 14 8.540 2.076 -12.709 1.00 0.00 C ATOM 219 O ASN A 14 7.417 1.878 -13.183 1.00 0.00 O ATOM 220 CB ASN A 14 10.611 1.135 -13.769 1.00 0.00 C ATOM 221 CG ASN A 14 9.879 -0.025 -14.430 1.00 0.00 C ATOM 222 OD1 ASN A 14 8.997 0.176 -15.268 1.00 0.00 O ATOM 223 ND2 ASN A 14 10.244 -1.247 -14.065 1.00 0.00 N ATOM 0 H ASN A 14 11.475 3.258 -12.840 1.00 0.00 H new ATOM 0 HA ASN A 14 9.358 2.678 -14.595 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.491 1.388 -14.361 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.966 0.822 -12.787 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.791 -2.060 -14.481 1.00 0.00 H new ATOM 0 HD22 ASN A 14 10.978 -1.373 -13.368 1.00 0.00 H new ATOM 230 N TYR A 15 8.792 2.055 -11.401 1.00 0.00 N ATOM 231 CA TYR A 15 7.753 1.750 -10.425 1.00 0.00 C ATOM 232 C TYR A 15 6.629 2.779 -10.484 1.00 0.00 C ATOM 233 O TYR A 15 5.457 2.417 -10.447 1.00 0.00 O ATOM 234 CB TYR A 15 8.330 1.694 -9.006 1.00 0.00 C ATOM 235 CG TYR A 15 7.276 1.439 -7.936 1.00 0.00 C ATOM 236 CD1 TYR A 15 6.804 0.152 -7.688 1.00 0.00 C ATOM 237 CD2 TYR A 15 6.744 2.487 -7.186 1.00 0.00 C ATOM 238 CE1 TYR A 15 5.839 -0.081 -6.725 1.00 0.00 C ATOM 239 CE2 TYR A 15 5.777 2.258 -6.226 1.00 0.00 C ATOM 240 CZ TYR A 15 5.329 0.974 -5.999 1.00 0.00 C ATOM 241 OH TYR A 15 4.365 0.747 -5.046 1.00 0.00 O ATOM 0 H TYR A 15 9.708 2.246 -10.995 1.00 0.00 H new ATOM 0 HA TYR A 15 7.346 0.771 -10.676 1.00 0.00 H new ATOM 0 HB2 TYR A 15 9.083 0.908 -8.959 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.837 2.635 -8.790 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.198 -0.677 -8.257 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.093 3.494 -7.358 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.486 -1.085 -6.543 1.00 0.00 H new ATOM 0 HE2 TYR A 15 5.374 3.082 -5.656 1.00 0.00 H new ATOM 0 HH TYR A 15 4.483 -0.150 -4.669 1.00 0.00 H new ATOM 251 N LEU A 16 6.992 4.057 -10.571 1.00 0.00 N ATOM 252 CA LEU A 16 6.007 5.135 -10.587 1.00 0.00 C ATOM 253 C LEU A 16 5.152 5.041 -11.845 1.00 0.00 C ATOM 254 O LEU A 16 3.927 5.167 -11.788 1.00 0.00 O ATOM 255 CB LEU A 16 6.687 6.511 -10.503 1.00 0.00 C ATOM 256 CG LEU A 16 5.726 7.712 -10.395 1.00 0.00 C ATOM 257 CD1 LEU A 16 4.835 7.590 -9.158 1.00 0.00 C ATOM 258 CD2 LEU A 16 6.503 9.028 -10.371 1.00 0.00 C ATOM 0 H LEU A 16 7.961 4.371 -10.631 1.00 0.00 H new ATOM 0 HA LEU A 16 5.367 5.025 -9.712 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.351 6.518 -9.639 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.312 6.644 -11.386 1.00 0.00 H new ATOM 0 HG LEU A 16 5.085 7.709 -11.276 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.167 8.449 -9.105 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.246 6.675 -9.223 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.457 7.558 -8.263 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.805 9.861 -10.294 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.175 9.038 -9.513 1.00 0.00 H new ATOM 0 HD23 LEU A 16 7.084 9.124 -11.288 1.00 0.00 H new ATOM 270 N ASP A 17 5.807 4.794 -12.977 1.00 0.00 N ATOM 271 CA ASP A 17 5.106 4.613 -14.244 1.00 0.00 C ATOM 272 C ASP A 17 4.055 3.511 -14.109 1.00 0.00 C ATOM 273 O ASP A 17 2.882 3.713 -14.431 1.00 0.00 O ATOM 274 CB ASP A 17 6.097 4.267 -15.365 1.00 0.00 C ATOM 275 CG ASP A 17 5.417 4.076 -16.715 1.00 0.00 C ATOM 276 OD1 ASP A 17 5.089 5.090 -17.370 1.00 0.00 O ATOM 277 OD2 ASP A 17 5.213 2.915 -17.129 1.00 0.00 O ATOM 0 H ASP A 17 6.822 4.715 -13.042 1.00 0.00 H new ATOM 0 HA ASP A 17 4.608 5.548 -14.502 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.839 5.061 -15.446 1.00 0.00 H new ATOM 0 HB3 ASP A 17 6.633 3.356 -15.101 1.00 0.00 H new ATOM 282 N GLN A 18 4.484 2.360 -13.594 1.00 0.00 N ATOM 283 CA GLN A 18 3.600 1.208 -13.404 1.00 0.00 C ATOM 284 C GLN A 18 2.474 1.523 -12.415 1.00 0.00 C ATOM 285 O GLN A 18 1.292 1.387 -12.737 1.00 0.00 O ATOM 286 CB GLN A 18 4.405 0.006 -12.888 1.00 0.00 C ATOM 287 CG GLN A 18 3.562 -1.250 -12.675 1.00 0.00 C ATOM 288 CD GLN A 18 4.286 -2.336 -11.893 1.00 0.00 C ATOM 289 OE1 GLN A 18 4.064 -3.526 -12.117 1.00 0.00 O ATOM 290 NE2 GLN A 18 5.128 -1.940 -10.948 1.00 0.00 N ATOM 0 H GLN A 18 5.447 2.199 -13.298 1.00 0.00 H new ATOM 0 HA GLN A 18 3.155 0.970 -14.370 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.202 -0.218 -13.597 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.883 0.277 -11.946 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.648 -0.980 -12.147 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.264 -1.648 -13.645 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.287 -0.945 -10.791 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.617 -2.631 -10.378 1.00 0.00 H new ATOM 299 N ILE A 19 2.860 1.954 -11.214 1.00 0.00 N ATOM 300 CA ILE A 19 1.923 2.155 -10.109 1.00 0.00 C ATOM 301 C ILE A 19 0.876 3.213 -10.466 1.00 0.00 C ATOM 302 O ILE A 19 -0.252 3.186 -9.969 1.00 0.00 O ATOM 303 CB ILE A 19 2.671 2.573 -8.806 1.00 0.00 C ATOM 304 CG1 ILE A 19 1.790 2.356 -7.564 1.00 0.00 C ATOM 305 CG2 ILE A 19 3.139 4.025 -8.875 1.00 0.00 C ATOM 306 CD1 ILE A 19 1.603 0.898 -7.203 1.00 0.00 C ATOM 0 H ILE A 19 3.828 2.173 -10.980 1.00 0.00 H new ATOM 0 HA ILE A 19 1.419 1.205 -9.932 1.00 0.00 H new ATOM 0 HB ILE A 19 3.550 1.935 -8.720 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.236 2.877 -6.717 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.813 2.807 -7.738 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.657 4.285 -7.952 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.818 4.149 -9.719 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.277 4.679 -9.004 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.971 0.820 -6.318 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.129 0.375 -8.034 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.574 0.447 -6.997 1.00 0.00 H new ATOM 318 N ALA A 20 1.261 4.146 -11.333 1.00 0.00 N ATOM 319 CA ALA A 20 0.355 5.190 -11.786 1.00 0.00 C ATOM 320 C ALA A 20 -0.482 4.708 -12.967 1.00 0.00 C ATOM 321 O ALA A 20 -1.657 5.054 -13.077 1.00 0.00 O ATOM 322 CB ALA A 20 1.133 6.450 -12.158 1.00 0.00 C ATOM 0 H ALA A 20 2.197 4.198 -11.735 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.322 5.432 -10.967 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.439 7.220 -12.495 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.680 6.810 -11.287 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.836 6.220 -12.959 1.00 0.00 H new ATOM 328 N LYS A 21 0.120 3.887 -13.830 1.00 0.00 N ATOM 329 CA LYS A 21 -0.526 3.468 -15.076 1.00 0.00 C ATOM 330 C LYS A 21 -1.571 2.379 -14.833 1.00 0.00 C ATOM 331 O LYS A 21 -2.730 2.542 -15.207 1.00 0.00 O ATOM 332 CB LYS A 21 0.516 2.980 -16.092 1.00 0.00 C ATOM 333 CG LYS A 21 -0.017 2.880 -17.519 1.00 0.00 C ATOM 334 CD LYS A 21 -0.518 4.232 -18.020 1.00 0.00 C ATOM 335 CE LYS A 21 -1.029 4.160 -19.452 1.00 0.00 C ATOM 336 NZ LYS A 21 -1.552 5.472 -19.911 1.00 0.00 N ATOM 0 H LYS A 21 1.053 3.499 -13.689 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.037 4.340 -15.484 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.369 3.659 -16.079 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.883 2.002 -15.781 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.770 2.514 -18.179 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.828 2.153 -17.556 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.317 4.586 -17.368 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.289 4.962 -17.960 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.223 3.838 -20.111 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.816 3.409 -19.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.115 5.338 -20.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.151 5.886 -19.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.757 6.112 -20.112 1.00 0.00 H new ATOM 350 N PHE A 22 -1.158 1.271 -14.209 1.00 0.00 N ATOM 351 CA PHE A 22 -2.067 0.150 -13.928 1.00 0.00 C ATOM 352 C PHE A 22 -3.365 0.653 -13.299 1.00 0.00 C ATOM 353 O PHE A 22 -4.461 0.332 -13.762 1.00 0.00 O ATOM 354 CB PHE A 22 -1.389 -0.873 -12.994 1.00 0.00 C ATOM 355 CG PHE A 22 -2.332 -1.903 -12.398 1.00 0.00 C ATOM 356 CD1 PHE A 22 -2.615 -3.091 -13.061 1.00 0.00 C ATOM 357 CD2 PHE A 22 -2.935 -1.675 -11.168 1.00 0.00 C ATOM 358 CE1 PHE A 22 -3.476 -4.022 -12.507 1.00 0.00 C ATOM 359 CE2 PHE A 22 -3.794 -2.601 -10.610 1.00 0.00 C ATOM 360 CZ PHE A 22 -4.065 -3.776 -11.280 1.00 0.00 C ATOM 0 H PHE A 22 -0.201 1.124 -13.888 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.305 -0.340 -14.872 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.609 -1.392 -13.550 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.898 -0.336 -12.182 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.158 -3.290 -14.019 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.728 -0.757 -10.638 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.688 -4.941 -13.033 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.252 -2.406 -9.652 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.736 -4.503 -10.847 1.00 0.00 H new ATOM 370 N TRP A 23 -3.214 1.455 -12.254 1.00 0.00 N ATOM 371 CA TRP A 23 -4.336 1.983 -11.492 1.00 0.00 C ATOM 372 C TRP A 23 -5.105 3.024 -12.307 1.00 0.00 C ATOM 373 O TRP A 23 -6.328 3.142 -12.194 1.00 0.00 O ATOM 374 CB TRP A 23 -3.810 2.575 -10.176 1.00 0.00 C ATOM 375 CG TRP A 23 -4.851 3.225 -9.316 1.00 0.00 C ATOM 376 CD1 TRP A 23 -4.767 4.457 -8.745 1.00 0.00 C ATOM 377 CD2 TRP A 23 -6.123 2.687 -8.927 1.00 0.00 C ATOM 378 NE1 TRP A 23 -5.907 4.731 -8.038 1.00 0.00 N ATOM 379 CE2 TRP A 23 -6.756 3.658 -8.128 1.00 0.00 C ATOM 380 CE3 TRP A 23 -6.791 1.486 -9.178 1.00 0.00 C ATOM 381 CZ2 TRP A 23 -8.020 3.463 -7.577 1.00 0.00 C ATOM 382 CZ3 TRP A 23 -8.045 1.293 -8.634 1.00 0.00 C ATOM 383 CH2 TRP A 23 -8.650 2.278 -7.840 1.00 0.00 C ATOM 0 H TRP A 23 -2.303 1.759 -11.909 1.00 0.00 H new ATOM 0 HA TRP A 23 -5.035 1.178 -11.264 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -3.331 1.781 -9.603 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -3.040 3.311 -10.408 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -3.922 5.123 -8.836 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.094 5.594 -7.527 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -6.334 0.721 -9.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.486 4.220 -6.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.569 0.368 -8.823 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.632 2.097 -7.428 1.00 0.00 H new ATOM 394 N GLU A 24 -4.384 3.761 -13.148 1.00 0.00 N ATOM 395 CA GLU A 24 -5.004 4.731 -14.047 1.00 0.00 C ATOM 396 C GLU A 24 -5.958 4.019 -15.004 1.00 0.00 C ATOM 397 O GLU A 24 -7.084 4.469 -15.242 1.00 0.00 O ATOM 398 CB GLU A 24 -3.926 5.475 -14.848 1.00 0.00 C ATOM 399 CG GLU A 24 -4.470 6.450 -15.887 1.00 0.00 C ATOM 400 CD GLU A 24 -3.374 7.029 -16.768 1.00 0.00 C ATOM 401 OE1 GLU A 24 -2.707 7.994 -16.341 1.00 0.00 O ATOM 402 OE2 GLU A 24 -3.167 6.512 -17.887 1.00 0.00 O ATOM 0 H GLU A 24 -3.369 3.705 -13.226 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.565 5.452 -13.452 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.288 6.022 -14.154 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.295 4.743 -15.351 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.203 5.939 -16.512 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.993 7.262 -15.381 1.00 0.00 H new ATOM 409 N ILE A 25 -5.499 2.888 -15.529 1.00 0.00 N ATOM 410 CA ILE A 25 -6.256 2.125 -16.513 1.00 0.00 C ATOM 411 C ILE A 25 -7.449 1.425 -15.862 1.00 0.00 C ATOM 412 O ILE A 25 -8.365 0.970 -16.547 1.00 0.00 O ATOM 413 CB ILE A 25 -5.350 1.092 -17.244 1.00 0.00 C ATOM 414 CG1 ILE A 25 -4.149 1.805 -17.893 1.00 0.00 C ATOM 415 CG2 ILE A 25 -6.133 0.305 -18.298 1.00 0.00 C ATOM 416 CD1 ILE A 25 -4.534 2.928 -18.840 1.00 0.00 C ATOM 0 H ILE A 25 -4.598 2.477 -15.286 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.634 2.828 -17.255 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.986 0.382 -16.502 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.512 2.209 -17.107 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.556 1.071 -18.438 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.469 -0.407 -18.788 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.950 -0.233 -17.818 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.538 0.993 -19.040 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.633 3.379 -19.255 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.145 2.528 -19.649 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.101 3.684 -18.297 1.00 0.00 H new ATOM 428 N GLN A 26 -7.460 1.370 -14.530 1.00 0.00 N ATOM 429 CA GLN A 26 -8.605 0.818 -13.801 1.00 0.00 C ATOM 430 C GLN A 26 -9.752 1.837 -13.734 1.00 0.00 C ATOM 431 O GLN A 26 -10.650 1.723 -12.895 1.00 0.00 O ATOM 432 CB GLN A 26 -8.189 0.388 -12.386 1.00 0.00 C ATOM 433 CG GLN A 26 -6.990 -0.552 -12.363 1.00 0.00 C ATOM 434 CD GLN A 26 -7.169 -1.782 -13.241 1.00 0.00 C ATOM 435 OE1 GLN A 26 -8.276 -2.303 -13.395 1.00 0.00 O ATOM 436 NE2 GLN A 26 -6.083 -2.239 -13.846 1.00 0.00 N ATOM 0 H GLN A 26 -6.697 1.697 -13.937 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.958 -0.061 -14.341 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.955 1.276 -11.799 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.033 -0.101 -11.901 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.104 -0.007 -12.690 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.807 -0.871 -11.337 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.184 -1.782 -13.694 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.146 -3.048 -14.464 1.00 0.00 H new ATOM 445 N GLY A 27 -9.728 2.822 -14.636 1.00 0.00 N ATOM 446 CA GLY A 27 -10.735 3.868 -14.640 1.00 0.00 C ATOM 447 C GLY A 27 -10.596 4.769 -13.434 1.00 0.00 C ATOM 448 O GLY A 27 -11.586 5.235 -12.866 1.00 0.00 O ATOM 0 H GLY A 27 -9.022 2.911 -15.367 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.644 4.460 -15.551 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.728 3.419 -14.649 1.00 0.00 H new ATOM 452 N SER A 28 -9.353 5.005 -13.039 1.00 0.00 N ATOM 453 CA SER A 28 -9.051 5.766 -11.835 1.00 0.00 C ATOM 454 C SER A 28 -7.741 6.532 -12.008 1.00 0.00 C ATOM 455 O SER A 28 -7.205 6.613 -13.115 1.00 0.00 O ATOM 456 CB SER A 28 -8.972 4.811 -10.635 1.00 0.00 C ATOM 457 OG SER A 28 -10.184 4.089 -10.473 1.00 0.00 O ATOM 0 H SER A 28 -8.529 4.676 -13.542 1.00 0.00 H new ATOM 0 HA SER A 28 -9.844 6.492 -11.656 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.146 4.114 -10.776 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.760 5.378 -9.729 1.00 0.00 H new ATOM 0 HG SER A 28 -10.082 3.438 -9.748 1.00 0.00 H new ATOM 463 N SER A 29 -7.246 7.119 -10.925 1.00 0.00 N ATOM 464 CA SER A 29 -5.968 7.821 -10.939 1.00 0.00 C ATOM 465 C SER A 29 -5.296 7.717 -9.569 1.00 0.00 C ATOM 466 O SER A 29 -5.970 7.594 -8.542 1.00 0.00 O ATOM 467 CB SER A 29 -6.171 9.285 -11.352 1.00 0.00 C ATOM 468 OG SER A 29 -7.267 9.869 -10.663 1.00 0.00 O ATOM 0 H SER A 29 -7.715 7.122 -10.019 1.00 0.00 H new ATOM 0 HA SER A 29 -5.311 7.354 -11.673 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.264 9.853 -11.144 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.343 9.341 -12.427 1.00 0.00 H new ATOM 0 HG SER A 29 -7.371 10.802 -10.945 1.00 0.00 H new ATOM 474 N LEU A 30 -3.967 7.743 -9.564 1.00 0.00 N ATOM 475 CA LEU A 30 -3.191 7.555 -8.344 1.00 0.00 C ATOM 476 C LEU A 30 -3.143 8.841 -7.520 1.00 0.00 C ATOM 477 O LEU A 30 -2.817 9.910 -8.036 1.00 0.00 O ATOM 478 CB LEU A 30 -1.770 7.093 -8.693 1.00 0.00 C ATOM 479 CG LEU A 30 -0.872 6.746 -7.495 1.00 0.00 C ATOM 480 CD1 LEU A 30 -1.488 5.620 -6.668 1.00 0.00 C ATOM 481 CD2 LEU A 30 0.526 6.360 -7.970 1.00 0.00 C ATOM 0 H LEU A 30 -3.401 7.894 -10.399 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.678 6.788 -7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.840 6.217 -9.338 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.284 7.878 -9.273 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.789 7.629 -6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.837 5.390 -5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.464 5.933 -6.298 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.603 4.733 -7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.149 6.117 -7.109 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.461 5.492 -8.627 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.969 7.194 -8.514 1.00 0.00 H new ATOM 493 N LYS A 31 -3.484 8.727 -6.242 1.00 0.00 N ATOM 494 CA LYS A 31 -3.437 9.856 -5.323 1.00 0.00 C ATOM 495 C LYS A 31 -2.989 9.384 -3.941 1.00 0.00 C ATOM 496 O LYS A 31 -3.803 8.927 -3.136 1.00 0.00 O ATOM 497 CB LYS A 31 -4.810 10.549 -5.257 1.00 0.00 C ATOM 498 CG LYS A 31 -4.870 11.737 -4.294 1.00 0.00 C ATOM 499 CD LYS A 31 -6.144 12.563 -4.478 1.00 0.00 C ATOM 500 CE LYS A 31 -7.414 11.740 -4.260 1.00 0.00 C ATOM 501 NZ LYS A 31 -7.526 11.230 -2.866 1.00 0.00 N ATOM 0 H LYS A 31 -3.799 7.855 -5.816 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.712 10.584 -5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.079 10.892 -6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.560 9.816 -4.959 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.819 11.374 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.000 12.374 -4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.134 13.400 -3.780 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.157 12.985 -5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.285 12.353 -4.491 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.423 10.899 -4.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.426 10.722 -2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.736 10.583 -2.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.494 12.029 -2.201 1.00 0.00 H new ATOM 515 N ILE A 32 -1.683 9.455 -3.694 1.00 0.00 N ATOM 516 CA ILE A 32 -1.109 9.047 -2.414 1.00 0.00 C ATOM 517 C ILE A 32 -0.678 10.275 -1.603 1.00 0.00 C ATOM 518 O ILE A 32 -0.013 11.172 -2.127 1.00 0.00 O ATOM 519 CB ILE A 32 0.098 8.085 -2.601 1.00 0.00 C ATOM 520 CG1 ILE A 32 1.171 8.717 -3.510 1.00 0.00 C ATOM 521 CG2 ILE A 32 -0.371 6.744 -3.168 1.00 0.00 C ATOM 522 CD1 ILE A 32 2.397 7.846 -3.715 1.00 0.00 C ATOM 0 H ILE A 32 -0.998 9.794 -4.369 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.884 8.509 -1.869 1.00 0.00 H new ATOM 0 HB ILE A 32 0.548 7.908 -1.624 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.727 8.936 -4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.482 9.669 -3.080 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.486 6.082 -3.293 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.085 6.288 -2.481 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.849 6.905 -4.134 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.104 8.361 -4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.868 7.648 -2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.101 6.903 -4.175 1.00 0.00 H new ATOM 534 N PRO A 33 -1.071 10.337 -0.317 1.00 0.00 N ATOM 535 CA PRO A 33 -0.773 11.473 0.557 1.00 0.00 C ATOM 536 C PRO A 33 0.570 11.334 1.279 1.00 0.00 C ATOM 537 O PRO A 33 1.333 10.390 1.043 1.00 0.00 O ATOM 538 CB PRO A 33 -1.933 11.416 1.555 1.00 0.00 C ATOM 539 CG PRO A 33 -2.221 9.957 1.709 1.00 0.00 C ATOM 540 CD PRO A 33 -1.853 9.301 0.394 1.00 0.00 C ATOM 0 HA PRO A 33 -0.686 12.412 0.010 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.660 11.870 2.508 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.804 11.956 1.183 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.642 9.532 2.529 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.273 9.792 1.943 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.267 8.395 0.550 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.740 9.013 -0.170 1.00 0.00 H new ATOM 548 N ASN A 34 0.848 12.291 2.158 1.00 0.00 N ATOM 549 CA ASN A 34 2.040 12.263 2.997 1.00 0.00 C ATOM 550 C ASN A 34 1.690 12.716 4.396 1.00 0.00 C ATOM 551 O ASN A 34 0.717 13.447 4.607 1.00 0.00 O ATOM 552 CB ASN A 34 3.161 13.143 2.417 1.00 0.00 C ATOM 553 CG ASN A 34 2.826 14.627 2.407 1.00 0.00 C ATOM 554 OD1 ASN A 34 1.663 15.019 2.294 1.00 0.00 O ATOM 555 ND2 ASN A 34 3.847 15.463 2.507 1.00 0.00 N ATOM 0 H ASN A 34 0.254 13.107 2.309 1.00 0.00 H new ATOM 0 HA ASN A 34 2.409 11.238 3.028 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.070 12.988 2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.375 12.820 1.398 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.685 16.470 2.492 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.796 15.100 2.599 1.00 0.00 H new ATOM 562 N VAL A 35 2.476 12.254 5.344 1.00 0.00 N ATOM 563 CA VAL A 35 2.283 12.591 6.739 1.00 0.00 C ATOM 564 C VAL A 35 3.619 12.497 7.463 1.00 0.00 C ATOM 565 O VAL A 35 4.466 11.684 7.084 1.00 0.00 O ATOM 566 CB VAL A 35 1.234 11.660 7.410 1.00 0.00 C ATOM 567 CG1 VAL A 35 1.680 10.202 7.358 1.00 0.00 C ATOM 568 CG2 VAL A 35 0.949 12.097 8.843 1.00 0.00 C ATOM 0 H VAL A 35 3.267 11.634 5.170 1.00 0.00 H new ATOM 0 HA VAL A 35 1.900 13.609 6.803 1.00 0.00 H new ATOM 0 HB VAL A 35 0.305 11.744 6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.927 9.574 7.835 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.803 9.896 6.319 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.629 10.093 7.883 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.212 11.428 9.288 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.870 12.060 9.425 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.561 13.116 8.842 1.00 0.00 H new ATOM 578 N GLU A 36 3.829 13.347 8.472 1.00 0.00 N ATOM 579 CA GLU A 36 5.088 13.349 9.219 1.00 0.00 C ATOM 580 C GLU A 36 6.243 13.743 8.298 1.00 0.00 C ATOM 581 O GLU A 36 7.386 13.345 8.514 1.00 0.00 O ATOM 582 CB GLU A 36 5.348 11.984 9.865 1.00 0.00 C ATOM 583 CG GLU A 36 4.200 11.491 10.741 1.00 0.00 C ATOM 584 CD GLU A 36 3.730 12.531 11.749 1.00 0.00 C ATOM 585 OE1 GLU A 36 4.449 12.774 12.740 1.00 0.00 O ATOM 586 OE2 GLU A 36 2.642 13.114 11.554 1.00 0.00 O ATOM 0 H GLU A 36 3.148 14.038 8.788 1.00 0.00 H new ATOM 0 HA GLU A 36 5.013 14.084 10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.536 11.251 9.081 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.254 12.044 10.468 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.362 11.205 10.105 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.516 10.594 11.274 1.00 0.00 H new ATOM 593 N ARG A 37 5.889 14.479 7.241 1.00 0.00 N ATOM 594 CA ARG A 37 6.800 14.907 6.162 1.00 0.00 C ATOM 595 C ARG A 37 7.426 13.702 5.457 1.00 0.00 C ATOM 596 O ARG A 37 8.443 13.816 4.767 1.00 0.00 O ATOM 597 CB ARG A 37 7.867 15.944 6.618 1.00 0.00 C ATOM 598 CG ARG A 37 9.015 15.427 7.498 1.00 0.00 C ATOM 599 CD ARG A 37 8.827 15.794 8.971 1.00 0.00 C ATOM 600 NE ARG A 37 8.661 17.237 9.168 1.00 0.00 N ATOM 601 CZ ARG A 37 8.048 17.784 10.220 1.00 0.00 C ATOM 602 NH1 ARG A 37 7.545 17.019 11.182 1.00 0.00 N ATOM 603 NH2 ARG A 37 7.936 19.099 10.310 1.00 0.00 N ATOM 0 H ARG A 37 4.933 14.806 7.103 1.00 0.00 H new ATOM 0 HA ARG A 37 6.184 15.437 5.435 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.302 16.396 5.727 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.356 16.739 7.162 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.084 14.343 7.402 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.958 15.840 7.140 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.954 15.273 9.364 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.689 15.448 9.542 1.00 0.00 H new ATOM 0 HE ARG A 37 9.038 17.863 8.456 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.625 16.004 11.121 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.078 17.446 11.982 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.318 19.695 9.576 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.468 19.517 11.114 1.00 0.00 H new ATOM 617 N ARG A 38 6.770 12.556 5.609 1.00 0.00 N ATOM 618 CA ARG A 38 7.151 11.317 4.943 1.00 0.00 C ATOM 619 C ARG A 38 6.018 10.905 4.006 1.00 0.00 C ATOM 620 O ARG A 38 4.881 10.721 4.449 1.00 0.00 O ATOM 621 CB ARG A 38 7.402 10.222 5.995 1.00 0.00 C ATOM 622 CG ARG A 38 7.773 8.844 5.437 1.00 0.00 C ATOM 623 CD ARG A 38 9.191 8.797 4.863 1.00 0.00 C ATOM 624 NE ARG A 38 9.236 9.090 3.425 1.00 0.00 N ATOM 625 CZ ARG A 38 10.228 9.761 2.830 1.00 0.00 C ATOM 626 NH1 ARG A 38 11.202 10.302 3.550 1.00 0.00 N ATOM 627 NH2 ARG A 38 10.255 9.882 1.512 1.00 0.00 N ATOM 0 H ARG A 38 5.948 12.461 6.206 1.00 0.00 H new ATOM 0 HA ARG A 38 8.067 11.460 4.369 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.202 10.554 6.656 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.506 10.118 6.607 1.00 0.00 H new ATOM 0 HG2 ARG A 38 7.682 8.100 6.229 1.00 0.00 H new ATOM 0 HG3 ARG A 38 7.062 8.569 4.658 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.816 9.514 5.394 1.00 0.00 H new ATOM 0 HD3 ARG A 38 9.617 7.810 5.041 1.00 0.00 H new ATOM 0 HE ARG A 38 8.464 8.762 2.845 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.198 10.208 4.566 1.00 0.00 H new ATOM 0 HH12 ARG A 38 11.955 10.812 3.088 1.00 0.00 H new ATOM 0 HH21 ARG A 38 9.517 9.463 0.946 1.00 0.00 H new ATOM 0 HH22 ARG A 38 11.014 10.395 1.062 1.00 0.00 H new ATOM 641 N ILE A 39 6.310 10.800 2.715 1.00 0.00 N ATOM 642 CA ILE A 39 5.303 10.380 1.745 1.00 0.00 C ATOM 643 C ILE A 39 4.888 8.939 2.018 1.00 0.00 C ATOM 644 O ILE A 39 5.686 8.145 2.532 1.00 0.00 O ATOM 645 CB ILE A 39 5.817 10.492 0.286 1.00 0.00 C ATOM 646 CG1 ILE A 39 4.685 10.183 -0.716 1.00 0.00 C ATOM 647 CG2 ILE A 39 7.003 9.555 0.062 1.00 0.00 C ATOM 648 CD1 ILE A 39 5.122 10.194 -2.168 1.00 0.00 C ATOM 0 H ILE A 39 7.228 10.998 2.317 1.00 0.00 H new ATOM 0 HA ILE A 39 4.449 11.048 1.856 1.00 0.00 H new ATOM 0 HB ILE A 39 6.151 11.516 0.119 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.264 9.205 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.887 10.913 -0.583 1.00 0.00 H new ATOM 0 HG21 ILE A 39 7.350 9.647 -0.967 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.811 9.822 0.743 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.695 8.527 0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 39 4.268 9.968 -2.807 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.515 11.178 -2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.898 9.444 -2.320 1.00 0.00 H new ATOM 660 N LEU A 40 3.644 8.611 1.696 1.00 0.00 N ATOM 661 CA LEU A 40 3.176 7.244 1.817 1.00 0.00 C ATOM 662 C LEU A 40 3.882 6.388 0.764 1.00 0.00 C ATOM 663 O LEU A 40 3.426 6.277 -0.378 1.00 0.00 O ATOM 664 CB LEU A 40 1.648 7.179 1.654 1.00 0.00 C ATOM 665 CG LEU A 40 0.999 5.858 2.096 1.00 0.00 C ATOM 666 CD1 LEU A 40 1.313 5.580 3.564 1.00 0.00 C ATOM 667 CD2 LEU A 40 -0.514 5.890 1.863 1.00 0.00 C ATOM 0 H LEU A 40 2.947 9.271 1.351 1.00 0.00 H new ATOM 0 HA LEU A 40 3.412 6.859 2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.203 7.993 2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.403 7.353 0.606 1.00 0.00 H new ATOM 0 HG LEU A 40 1.415 5.051 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.847 4.641 3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.392 5.509 3.698 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.924 6.391 4.179 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.952 4.944 2.183 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.953 6.706 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.716 6.042 0.803 1.00 0.00 H new ATOM 679 N ASP A 41 5.023 5.821 1.154 1.00 0.00 N ATOM 680 CA ASP A 41 5.880 5.082 0.230 1.00 0.00 C ATOM 681 C ASP A 41 5.225 3.752 -0.129 1.00 0.00 C ATOM 682 O ASP A 41 5.413 2.741 0.552 1.00 0.00 O ATOM 683 CB ASP A 41 7.276 4.864 0.848 1.00 0.00 C ATOM 684 CG ASP A 41 8.320 4.423 -0.175 1.00 0.00 C ATOM 685 OD1 ASP A 41 8.309 3.243 -0.578 1.00 0.00 O ATOM 686 OD2 ASP A 41 9.163 5.258 -0.578 1.00 0.00 O ATOM 0 H ASP A 41 5.376 5.860 2.110 1.00 0.00 H new ATOM 0 HA ASP A 41 6.007 5.663 -0.683 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.607 5.789 1.320 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.206 4.112 1.634 1.00 0.00 H new ATOM 691 N LEU A 42 4.419 3.788 -1.188 1.00 0.00 N ATOM 692 CA LEU A 42 3.634 2.634 -1.632 1.00 0.00 C ATOM 693 C LEU A 42 4.547 1.441 -1.939 1.00 0.00 C ATOM 694 O LEU A 42 4.137 0.287 -1.817 1.00 0.00 O ATOM 695 CB LEU A 42 2.802 3.025 -2.870 1.00 0.00 C ATOM 696 CG LEU A 42 1.434 2.325 -3.025 1.00 0.00 C ATOM 697 CD1 LEU A 42 0.606 3.001 -4.116 1.00 0.00 C ATOM 698 CD2 LEU A 42 1.595 0.837 -3.332 1.00 0.00 C ATOM 0 H LEU A 42 4.290 4.619 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 42 2.958 2.333 -0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.634 4.102 -2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.395 2.817 -3.760 1.00 0.00 H new ATOM 0 HG LEU A 42 0.910 2.416 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.354 2.494 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.440 4.046 -3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.140 2.946 -5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.612 0.378 -3.434 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.151 0.715 -4.262 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.138 0.354 -2.519 1.00 0.00 H new ATOM 710 N TYR A 43 5.785 1.729 -2.320 1.00 0.00 N ATOM 711 CA TYR A 43 6.763 0.690 -2.636 1.00 0.00 C ATOM 712 C TYR A 43 7.033 -0.163 -1.392 1.00 0.00 C ATOM 713 O TYR A 43 6.811 -1.384 -1.384 1.00 0.00 O ATOM 714 CB TYR A 43 8.067 1.343 -3.124 1.00 0.00 C ATOM 715 CG TYR A 43 8.827 0.555 -4.177 1.00 0.00 C ATOM 716 CD1 TYR A 43 8.949 -0.830 -4.117 1.00 0.00 C ATOM 717 CD2 TYR A 43 9.429 1.215 -5.237 1.00 0.00 C ATOM 718 CE1 TYR A 43 9.649 -1.525 -5.088 1.00 0.00 C ATOM 719 CE2 TYR A 43 10.126 0.533 -6.207 1.00 0.00 C ATOM 720 CZ TYR A 43 10.235 -0.838 -6.130 1.00 0.00 C ATOM 721 OH TYR A 43 10.933 -1.524 -7.101 1.00 0.00 O ATOM 0 H TYR A 43 6.140 2.680 -2.419 1.00 0.00 H new ATOM 0 HA TYR A 43 6.369 0.048 -3.424 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.833 2.328 -3.528 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.721 1.498 -2.266 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.491 -1.370 -3.301 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.349 2.290 -5.303 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.736 -2.600 -5.030 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.585 1.069 -7.024 1.00 0.00 H new ATOM 0 HH TYR A 43 11.281 -0.891 -7.763 1.00 0.00 H new ATOM 731 N SER A 44 7.492 0.507 -0.338 1.00 0.00 N ATOM 732 CA SER A 44 7.787 -0.142 0.931 1.00 0.00 C ATOM 733 C SER A 44 6.512 -0.750 1.508 1.00 0.00 C ATOM 734 O SER A 44 6.519 -1.871 2.010 1.00 0.00 O ATOM 735 CB SER A 44 8.399 0.867 1.914 1.00 0.00 C ATOM 736 OG SER A 44 8.818 0.237 3.113 1.00 0.00 O ATOM 0 H SER A 44 7.669 1.512 -0.342 1.00 0.00 H new ATOM 0 HA SER A 44 8.511 -0.939 0.765 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.250 1.362 1.446 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.667 1.641 2.145 1.00 0.00 H new ATOM 0 HG SER A 44 9.204 0.906 3.716 1.00 0.00 H new ATOM 742 N LEU A 45 5.415 -0.008 1.402 1.00 0.00 N ATOM 743 CA LEU A 45 4.111 -0.476 1.858 1.00 0.00 C ATOM 744 C LEU A 45 3.770 -1.810 1.202 1.00 0.00 C ATOM 745 O LEU A 45 3.422 -2.777 1.880 1.00 0.00 O ATOM 746 CB LEU A 45 3.030 0.563 1.528 1.00 0.00 C ATOM 747 CG LEU A 45 1.583 0.133 1.831 1.00 0.00 C ATOM 748 CD1 LEU A 45 1.396 -0.139 3.322 1.00 0.00 C ATOM 749 CD2 LEU A 45 0.596 1.190 1.338 1.00 0.00 C ATOM 0 H LEU A 45 5.404 0.929 1.000 1.00 0.00 H new ATOM 0 HA LEU A 45 4.149 -0.615 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.244 1.474 2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.102 0.813 0.470 1.00 0.00 H new ATOM 0 HG LEU A 45 1.382 -0.795 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.366 -0.441 3.510 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.071 -0.936 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.618 0.766 3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.422 0.869 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.796 2.137 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.709 1.319 0.262 1.00 0.00 H new ATOM 761 N SER A 46 3.907 -1.856 -0.117 1.00 0.00 N ATOM 762 CA SER A 46 3.560 -3.036 -0.891 1.00 0.00 C ATOM 763 C SER A 46 4.396 -4.229 -0.436 1.00 0.00 C ATOM 764 O SER A 46 3.850 -5.286 -0.095 1.00 0.00 O ATOM 765 CB SER A 46 3.770 -2.770 -2.389 1.00 0.00 C ATOM 766 OG SER A 46 3.352 -3.872 -3.179 1.00 0.00 O ATOM 0 H SER A 46 4.260 -1.079 -0.676 1.00 0.00 H new ATOM 0 HA SER A 46 2.508 -3.268 -0.726 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.214 -1.880 -2.682 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.824 -2.565 -2.578 1.00 0.00 H new ATOM 0 HG SER A 46 3.498 -3.669 -4.127 1.00 0.00 H new ATOM 772 N LYS A 47 5.719 -4.052 -0.391 1.00 0.00 N ATOM 773 CA LYS A 47 6.604 -5.151 -0.026 1.00 0.00 C ATOM 774 C LYS A 47 6.327 -5.604 1.405 1.00 0.00 C ATOM 775 O LYS A 47 6.350 -6.798 1.693 1.00 0.00 O ATOM 776 CB LYS A 47 8.087 -4.780 -0.194 1.00 0.00 C ATOM 777 CG LYS A 47 8.569 -3.667 0.729 1.00 0.00 C ATOM 778 CD LYS A 47 10.095 -3.524 0.729 1.00 0.00 C ATOM 779 CE LYS A 47 10.796 -4.647 1.503 1.00 0.00 C ATOM 780 NZ LYS A 47 10.679 -5.973 0.837 1.00 0.00 N ATOM 0 H LYS A 47 6.191 -3.172 -0.600 1.00 0.00 H new ATOM 0 HA LYS A 47 6.397 -5.976 -0.708 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.693 -5.669 -0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.258 -4.477 -1.227 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.119 -2.723 0.421 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.226 -3.867 1.744 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.455 -3.518 -0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.366 -2.563 1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.850 -4.397 1.620 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.371 -4.711 2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.545 -6.523 1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.862 -6.486 1.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.548 -5.837 -0.186 1.00 0.00 H new ATOM 794 N ILE A 48 6.041 -4.650 2.294 1.00 0.00 N ATOM 795 CA ILE A 48 5.761 -4.968 3.695 1.00 0.00 C ATOM 796 C ILE A 48 4.489 -5.801 3.817 1.00 0.00 C ATOM 797 O ILE A 48 4.476 -6.814 4.514 1.00 0.00 O ATOM 798 CB ILE A 48 5.648 -3.690 4.568 1.00 0.00 C ATOM 799 CG1 ILE A 48 7.031 -3.026 4.721 1.00 0.00 C ATOM 800 CG2 ILE A 48 5.047 -4.014 5.938 1.00 0.00 C ATOM 801 CD1 ILE A 48 7.014 -1.746 5.530 1.00 0.00 C ATOM 0 H ILE A 48 5.997 -3.656 2.070 1.00 0.00 H new ATOM 0 HA ILE A 48 6.604 -5.551 4.066 1.00 0.00 H new ATOM 0 HB ILE A 48 4.979 -2.990 4.068 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.712 -3.734 5.194 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.431 -2.812 3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.979 -3.102 6.530 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.051 -4.437 5.808 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.683 -4.734 6.453 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.024 -1.341 5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.360 -1.019 5.048 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.645 -1.955 6.534 1.00 0.00 H new ATOM 813 N VAL A 49 3.429 -5.382 3.129 1.00 0.00 N ATOM 814 CA VAL A 49 2.178 -6.141 3.120 1.00 0.00 C ATOM 815 C VAL A 49 2.438 -7.571 2.636 1.00 0.00 C ATOM 816 O VAL A 49 1.887 -8.535 3.178 1.00 0.00 O ATOM 817 CB VAL A 49 1.108 -5.471 2.216 1.00 0.00 C ATOM 818 CG1 VAL A 49 -0.154 -6.331 2.127 1.00 0.00 C ATOM 819 CG2 VAL A 49 0.768 -4.072 2.731 1.00 0.00 C ATOM 0 H VAL A 49 3.410 -4.527 2.573 1.00 0.00 H new ATOM 0 HA VAL A 49 1.794 -6.160 4.140 1.00 0.00 H new ATOM 0 HB VAL A 49 1.525 -5.379 1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.886 -5.838 1.488 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.098 -7.304 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.574 -6.465 3.124 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.017 -3.619 2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.378 -4.143 3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.667 -3.455 2.730 1.00 0.00 H new ATOM 829 N VAL A 50 3.300 -7.698 1.623 1.00 0.00 N ATOM 830 CA VAL A 50 3.706 -9.008 1.110 1.00 0.00 C ATOM 831 C VAL A 50 4.409 -9.822 2.201 1.00 0.00 C ATOM 832 O VAL A 50 4.147 -11.017 2.357 1.00 0.00 O ATOM 833 CB VAL A 50 4.637 -8.878 -0.125 1.00 0.00 C ATOM 834 CG1 VAL A 50 5.129 -10.252 -0.588 1.00 0.00 C ATOM 835 CG2 VAL A 50 3.925 -8.152 -1.264 1.00 0.00 C ATOM 0 H VAL A 50 3.730 -6.908 1.142 1.00 0.00 H new ATOM 0 HA VAL A 50 2.799 -9.527 0.800 1.00 0.00 H new ATOM 0 HB VAL A 50 5.505 -8.289 0.170 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.779 -10.133 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.684 -10.731 0.219 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.274 -10.872 -0.858 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.595 -8.072 -2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.035 -8.711 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.636 -7.154 -0.935 1.00 0.00 H new ATOM 845 N GLU A 51 5.293 -9.168 2.958 1.00 0.00 N ATOM 846 CA GLU A 51 5.997 -9.827 4.060 1.00 0.00 C ATOM 847 C GLU A 51 4.991 -10.323 5.098 1.00 0.00 C ATOM 848 O GLU A 51 5.126 -11.423 5.645 1.00 0.00 O ATOM 849 CB GLU A 51 6.991 -8.865 4.741 1.00 0.00 C ATOM 850 CG GLU A 51 7.995 -8.204 3.798 1.00 0.00 C ATOM 851 CD GLU A 51 8.836 -9.199 3.016 1.00 0.00 C ATOM 852 OE1 GLU A 51 9.826 -9.720 3.575 1.00 0.00 O ATOM 853 OE2 GLU A 51 8.531 -9.447 1.832 1.00 0.00 O ATOM 0 H GLU A 51 5.538 -8.186 2.829 1.00 0.00 H new ATOM 0 HA GLU A 51 6.552 -10.669 3.646 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.427 -8.085 5.252 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.540 -9.415 5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.458 -7.565 3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.655 -7.558 4.377 1.00 0.00 H new ATOM 860 N GLU A 52 3.977 -9.501 5.349 1.00 0.00 N ATOM 861 CA GLU A 52 2.964 -9.793 6.358 1.00 0.00 C ATOM 862 C GLU A 52 2.037 -10.927 5.914 1.00 0.00 C ATOM 863 O GLU A 52 1.533 -11.689 6.743 1.00 0.00 O ATOM 864 CB GLU A 52 2.162 -8.525 6.661 1.00 0.00 C ATOM 865 CG GLU A 52 3.009 -7.383 7.216 1.00 0.00 C ATOM 866 CD GLU A 52 3.826 -7.787 8.434 1.00 0.00 C ATOM 867 OE1 GLU A 52 3.273 -7.795 9.551 1.00 0.00 O ATOM 868 OE2 GLU A 52 5.028 -8.098 8.283 1.00 0.00 O ATOM 0 H GLU A 52 3.834 -8.617 4.861 1.00 0.00 H new ATOM 0 HA GLU A 52 3.468 -10.126 7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.669 -8.190 5.748 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.376 -8.765 7.378 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.682 -7.025 6.437 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.357 -6.551 7.482 1.00 0.00 H new ATOM 875 N GLY A 53 1.803 -11.023 4.607 1.00 0.00 N ATOM 876 CA GLY A 53 1.070 -12.155 4.057 1.00 0.00 C ATOM 877 C GLY A 53 -0.367 -11.840 3.671 1.00 0.00 C ATOM 878 O GLY A 53 -1.050 -12.691 3.099 1.00 0.00 O ATOM 0 H GLY A 53 2.108 -10.337 3.917 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.598 -12.523 3.177 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.069 -12.963 4.789 1.00 0.00 H new ATOM 882 N GLY A 54 -0.847 -10.641 3.997 1.00 0.00 N ATOM 883 CA GLY A 54 -2.196 -10.256 3.611 1.00 0.00 C ATOM 884 C GLY A 54 -2.652 -8.971 4.273 1.00 0.00 C ATOM 885 O GLY A 54 -2.527 -8.820 5.489 1.00 0.00 O ATOM 0 H GLY A 54 -0.330 -9.933 4.518 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.239 -10.137 2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.886 -11.058 3.871 1.00 0.00 H new ATOM 889 N TYR A 55 -3.197 -8.058 3.472 1.00 0.00 N ATOM 890 CA TYR A 55 -3.666 -6.759 3.951 1.00 0.00 C ATOM 891 C TYR A 55 -4.709 -6.918 5.055 1.00 0.00 C ATOM 892 O TYR A 55 -4.566 -6.352 6.143 1.00 0.00 O ATOM 893 CB TYR A 55 -4.248 -5.947 2.776 1.00 0.00 C ATOM 894 CG TYR A 55 -5.250 -4.884 3.187 1.00 0.00 C ATOM 895 CD1 TYR A 55 -4.833 -3.666 3.694 1.00 0.00 C ATOM 896 CD2 TYR A 55 -6.614 -5.112 3.075 1.00 0.00 C ATOM 897 CE1 TYR A 55 -5.744 -2.701 4.078 1.00 0.00 C ATOM 898 CE2 TYR A 55 -7.532 -4.156 3.460 1.00 0.00 C ATOM 899 CZ TYR A 55 -7.093 -2.952 3.958 1.00 0.00 C ATOM 900 OH TYR A 55 -8.007 -2.000 4.346 1.00 0.00 O ATOM 0 H TYR A 55 -3.326 -8.198 2.470 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.816 -6.223 4.372 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.429 -5.469 2.239 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.729 -6.633 2.079 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.776 -3.466 3.791 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.964 -6.054 2.680 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.400 -1.755 4.470 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.590 -4.353 3.371 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.762 -2.435 4.794 1.00 0.00 H new ATOM 910 N GLU A 56 -5.753 -7.693 4.765 1.00 0.00 N ATOM 911 CA GLU A 56 -6.854 -7.902 5.707 1.00 0.00 C ATOM 912 C GLU A 56 -6.316 -8.401 7.046 1.00 0.00 C ATOM 913 O GLU A 56 -6.789 -7.988 8.110 1.00 0.00 O ATOM 914 CB GLU A 56 -7.874 -8.892 5.113 1.00 0.00 C ATOM 915 CG GLU A 56 -9.188 -9.021 5.895 1.00 0.00 C ATOM 916 CD GLU A 56 -9.086 -9.898 7.138 1.00 0.00 C ATOM 917 OE1 GLU A 56 -8.697 -11.075 7.012 1.00 0.00 O ATOM 918 OE2 GLU A 56 -9.428 -9.423 8.242 1.00 0.00 O ATOM 0 H GLU A 56 -5.860 -8.189 3.880 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.362 -6.953 5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.105 -8.583 4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.408 -9.876 5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.522 -8.027 6.191 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.953 -9.431 5.235 1.00 0.00 H new ATOM 925 N ALA A 57 -5.296 -9.257 6.985 1.00 0.00 N ATOM 926 CA ALA A 57 -4.690 -9.810 8.188 1.00 0.00 C ATOM 927 C ALA A 57 -4.033 -8.706 9.009 1.00 0.00 C ATOM 928 O ALA A 57 -4.266 -8.595 10.211 1.00 0.00 O ATOM 929 CB ALA A 57 -3.675 -10.891 7.827 1.00 0.00 C ATOM 0 H ALA A 57 -4.875 -9.580 6.114 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.474 -10.266 8.793 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.232 -11.293 8.738 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.175 -11.692 7.282 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.892 -10.461 7.202 1.00 0.00 H new ATOM 935 N ILE A 58 -3.239 -7.872 8.340 1.00 0.00 N ATOM 936 CA ILE A 58 -2.564 -6.753 8.999 1.00 0.00 C ATOM 937 C ILE A 58 -3.591 -5.829 9.643 1.00 0.00 C ATOM 938 O ILE A 58 -3.436 -5.398 10.786 1.00 0.00 O ATOM 939 CB ILE A 58 -1.738 -5.913 7.994 1.00 0.00 C ATOM 940 CG1 ILE A 58 -0.893 -6.811 7.081 1.00 0.00 C ATOM 941 CG2 ILE A 58 -0.847 -4.913 8.725 1.00 0.00 C ATOM 942 CD1 ILE A 58 -0.203 -6.061 5.961 1.00 0.00 C ATOM 0 H ILE A 58 -3.047 -7.949 7.341 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.897 -7.179 9.749 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.441 -5.361 7.371 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.141 -7.321 7.683 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.533 -7.581 6.651 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.277 -4.335 7.998 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.466 -4.240 9.319 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.161 -5.449 9.381 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.376 -6.760 5.357 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.950 -5.573 5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.463 -5.309 6.383 1.00 0.00 H new ATOM 954 N CYS A 59 -4.644 -5.542 8.888 1.00 0.00 N ATOM 955 CA CYS A 59 -5.687 -4.624 9.320 1.00 0.00 C ATOM 956 C CYS A 59 -6.416 -5.170 10.543 1.00 0.00 C ATOM 957 O CYS A 59 -6.624 -4.456 11.523 1.00 0.00 O ATOM 958 CB CYS A 59 -6.679 -4.375 8.176 1.00 0.00 C ATOM 959 SG CYS A 59 -7.945 -3.143 8.551 1.00 0.00 S ATOM 0 H CYS A 59 -4.798 -5.939 7.961 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.220 -3.678 9.595 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.126 -4.054 7.293 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.167 -5.316 7.922 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.715 -2.983 7.516 1.00 0.00 H new ATOM 965 N LYS A 60 -6.769 -6.452 10.494 1.00 0.00 N ATOM 966 CA LYS A 60 -7.546 -7.070 11.565 1.00 0.00 C ATOM 967 C LYS A 60 -6.645 -7.398 12.754 1.00 0.00 C ATOM 968 O LYS A 60 -7.118 -7.603 13.873 1.00 0.00 O ATOM 969 CB LYS A 60 -8.254 -8.335 11.048 1.00 0.00 C ATOM 970 CG LYS A 60 -9.625 -8.576 11.678 1.00 0.00 C ATOM 971 CD LYS A 60 -10.584 -7.396 11.453 1.00 0.00 C ATOM 972 CE LYS A 60 -11.019 -7.239 9.990 1.00 0.00 C ATOM 973 NZ LYS A 60 -9.884 -6.939 9.070 1.00 0.00 N ATOM 0 H LYS A 60 -6.531 -7.081 9.727 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.307 -6.365 11.899 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.370 -8.259 9.967 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.619 -9.200 11.241 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -10.062 -9.482 11.258 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.506 -8.746 12.748 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.468 -7.532 12.075 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.101 -6.476 11.782 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.511 -8.155 9.663 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.756 -6.439 9.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.198 -6.272 8.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.102 -6.517 9.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.559 -7.819 8.621 1.00 0.00 H new ATOM 987 N ASP A 61 -5.342 -7.450 12.499 1.00 0.00 N ATOM 988 CA ASP A 61 -4.356 -7.684 13.552 1.00 0.00 C ATOM 989 C ASP A 61 -3.888 -6.360 14.144 1.00 0.00 C ATOM 990 O ASP A 61 -3.292 -6.328 15.225 1.00 0.00 O ATOM 991 CB ASP A 61 -3.156 -8.463 12.999 1.00 0.00 C ATOM 992 CG ASP A 61 -2.155 -8.833 14.079 1.00 0.00 C ATOM 993 OD1 ASP A 61 -2.395 -9.826 14.802 1.00 0.00 O ATOM 994 OD2 ASP A 61 -1.130 -8.139 14.219 1.00 0.00 O ATOM 0 H ASP A 61 -4.941 -7.333 11.568 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.827 -8.275 14.338 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.510 -9.371 12.510 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.658 -7.864 12.237 1.00 0.00 H new ATOM 999 N ARG A 62 -4.181 -5.267 13.428 1.00 0.00 N ATOM 1000 CA ARG A 62 -3.736 -3.925 13.817 1.00 0.00 C ATOM 1001 C ARG A 62 -2.218 -3.829 13.681 1.00 0.00 C ATOM 1002 O ARG A 62 -1.571 -2.993 14.312 1.00 0.00 O ATOM 1003 CB ARG A 62 -4.184 -3.604 15.254 1.00 0.00 C ATOM 1004 CG ARG A 62 -5.699 -3.640 15.444 1.00 0.00 C ATOM 1005 CD ARG A 62 -6.082 -3.967 16.883 1.00 0.00 C ATOM 1006 NE ARG A 62 -5.609 -5.303 17.272 1.00 0.00 N ATOM 1007 CZ ARG A 62 -6.263 -6.127 18.096 1.00 0.00 C ATOM 1008 NH1 ARG A 62 -7.427 -5.764 18.621 1.00 0.00 N ATOM 1009 NH2 ARG A 62 -5.758 -7.322 18.381 1.00 0.00 N ATOM 0 H ARG A 62 -4.730 -5.288 12.568 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.193 -3.189 13.155 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.723 -4.317 15.937 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.815 -2.616 15.529 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.123 -2.675 15.165 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.132 -4.384 14.775 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.658 -3.219 17.553 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.165 -3.916 16.994 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.721 -5.623 16.887 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.826 -4.853 18.396 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.922 -6.396 19.249 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.870 -7.611 17.971 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.258 -7.950 19.010 1.00 0.00 H new ATOM 1023 N ARG A 63 -1.668 -4.663 12.798 1.00 0.00 N ATOM 1024 CA ARG A 63 -0.222 -4.785 12.629 1.00 0.00 C ATOM 1025 C ARG A 63 0.332 -3.535 11.944 1.00 0.00 C ATOM 1026 O ARG A 63 1.548 -3.327 11.892 1.00 0.00 O ATOM 1027 CB ARG A 63 0.081 -6.046 11.805 1.00 0.00 C ATOM 1028 CG ARG A 63 1.522 -6.542 11.876 1.00 0.00 C ATOM 1029 CD ARG A 63 1.823 -7.246 13.195 1.00 0.00 C ATOM 1030 NE ARG A 63 3.097 -7.971 13.153 1.00 0.00 N ATOM 1031 CZ ARG A 63 3.392 -9.015 13.935 1.00 0.00 C ATOM 1032 NH1 ARG A 63 2.509 -9.455 14.825 1.00 0.00 N ATOM 1033 NH2 ARG A 63 4.567 -9.621 13.825 1.00 0.00 N ATOM 0 H ARG A 63 -2.210 -5.270 12.183 1.00 0.00 H new ATOM 0 HA ARG A 63 0.260 -4.875 13.602 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.578 -6.846 12.141 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.166 -5.846 10.762 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.710 -7.227 11.049 1.00 0.00 H new ATOM 0 HG3 ARG A 63 2.202 -5.699 11.753 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.850 -6.511 14.000 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.017 -7.942 13.426 1.00 0.00 H new ATOM 0 HE ARG A 63 3.802 -7.659 12.485 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.602 -8.996 14.914 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.738 -10.252 15.420 1.00 0.00 H new ATOM 0 HH21 ARG A 63 5.249 -9.291 13.142 1.00 0.00 H new ATOM 0 HH22 ARG A 63 4.788 -10.417 14.423 1.00 0.00 H new ATOM 1047 N TRP A 64 -0.577 -2.697 11.430 1.00 0.00 N ATOM 1048 CA TRP A 64 -0.202 -1.409 10.845 1.00 0.00 C ATOM 1049 C TRP A 64 0.535 -0.556 11.868 1.00 0.00 C ATOM 1050 O TRP A 64 1.230 0.389 11.508 1.00 0.00 O ATOM 1051 CB TRP A 64 -1.429 -0.631 10.346 1.00 0.00 C ATOM 1052 CG TRP A 64 -2.190 -1.301 9.241 1.00 0.00 C ATOM 1053 CD1 TRP A 64 -3.517 -1.621 9.249 1.00 0.00 C ATOM 1054 CD2 TRP A 64 -1.681 -1.728 7.966 1.00 0.00 C ATOM 1055 NE1 TRP A 64 -3.865 -2.209 8.062 1.00 0.00 N ATOM 1056 CE2 TRP A 64 -2.761 -2.287 7.262 1.00 0.00 C ATOM 1057 CE3 TRP A 64 -0.422 -1.691 7.344 1.00 0.00 C ATOM 1058 CZ2 TRP A 64 -2.626 -2.803 5.983 1.00 0.00 C ATOM 1059 CZ3 TRP A 64 -0.294 -2.207 6.070 1.00 0.00 C ATOM 1060 CH2 TRP A 64 -1.392 -2.754 5.400 1.00 0.00 C ATOM 0 H TRP A 64 -1.578 -2.891 11.409 1.00 0.00 H new ATOM 0 HA TRP A 64 0.447 -1.621 9.996 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -2.104 -0.467 11.186 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.104 0.351 10.001 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -4.193 -1.437 10.071 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -4.799 -2.536 7.815 1.00 0.00 H new ATOM 0 HE3 TRP A 64 0.430 -1.266 7.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -3.471 -3.231 5.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.670 -2.188 5.583 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -1.262 -3.145 4.402 1.00 0.00 H new ATOM 1071 N ALA A 65 0.356 -0.887 13.145 1.00 0.00 N ATOM 1072 CA ALA A 65 1.052 -0.203 14.225 1.00 0.00 C ATOM 1073 C ALA A 65 2.554 -0.192 13.965 1.00 0.00 C ATOM 1074 O ALA A 65 3.158 0.866 13.781 1.00 0.00 O ATOM 1075 CB ALA A 65 0.750 -0.877 15.556 1.00 0.00 C ATOM 0 H ALA A 65 -0.270 -1.630 13.455 1.00 0.00 H new ATOM 0 HA ALA A 65 0.700 0.828 14.268 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.277 -0.356 16.355 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.323 -0.843 15.746 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.080 -1.915 15.521 1.00 0.00 H new ATOM 1081 N ARG A 66 3.141 -1.384 13.907 1.00 0.00 N ATOM 1082 CA ARG A 66 4.585 -1.518 13.718 1.00 0.00 C ATOM 1083 C ARG A 66 4.985 -1.260 12.262 1.00 0.00 C ATOM 1084 O ARG A 66 6.118 -0.862 11.986 1.00 0.00 O ATOM 1085 CB ARG A 66 5.071 -2.895 14.188 1.00 0.00 C ATOM 1086 CG ARG A 66 4.323 -4.075 13.582 1.00 0.00 C ATOM 1087 CD ARG A 66 4.945 -5.402 14.001 1.00 0.00 C ATOM 1088 NE ARG A 66 6.272 -5.591 13.410 1.00 0.00 N ATOM 1089 CZ ARG A 66 7.081 -6.617 13.681 1.00 0.00 C ATOM 1090 NH1 ARG A 66 6.749 -7.514 14.601 1.00 0.00 N ATOM 1091 NH2 ARG A 66 8.236 -6.735 13.042 1.00 0.00 N ATOM 0 H ARG A 66 2.642 -2.270 13.988 1.00 0.00 H new ATOM 0 HA ARG A 66 5.072 -0.759 14.331 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.130 -2.992 13.949 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.983 -2.945 15.273 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.279 -4.046 13.895 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.332 -3.994 12.495 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.022 -5.440 15.088 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.292 -6.221 13.699 1.00 0.00 H new ATOM 0 HE ARG A 66 6.600 -4.890 12.746 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.869 -7.423 15.108 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.374 -8.295 14.801 1.00 0.00 H new ATOM 0 HH21 ARG A 66 8.506 -6.042 12.344 1.00 0.00 H new ATOM 0 HH22 ARG A 66 8.855 -7.519 13.248 1.00 0.00 H new ATOM 1105 N VAL A 67 4.053 -1.472 11.333 1.00 0.00 N ATOM 1106 CA VAL A 67 4.298 -1.171 9.920 1.00 0.00 C ATOM 1107 C VAL A 67 4.497 0.333 9.730 1.00 0.00 C ATOM 1108 O VAL A 67 5.547 0.788 9.265 1.00 0.00 O ATOM 1109 CB VAL A 67 3.132 -1.658 9.016 1.00 0.00 C ATOM 1110 CG1 VAL A 67 3.342 -1.216 7.566 1.00 0.00 C ATOM 1111 CG2 VAL A 67 2.980 -3.176 9.098 1.00 0.00 C ATOM 0 H VAL A 67 3.126 -1.849 11.530 1.00 0.00 H new ATOM 0 HA VAL A 67 5.201 -1.704 9.624 1.00 0.00 H new ATOM 0 HB VAL A 67 2.212 -1.201 9.380 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.512 -1.570 6.954 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.389 -0.128 7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.275 -1.635 7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.158 -3.494 8.457 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.903 -3.652 8.768 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.771 -3.466 10.128 1.00 0.00 H new ATOM 1121 N ALA A 68 3.485 1.101 10.117 1.00 0.00 N ATOM 1122 CA ALA A 68 3.551 2.555 10.048 1.00 0.00 C ATOM 1123 C ALA A 68 4.715 3.062 10.890 1.00 0.00 C ATOM 1124 O ALA A 68 5.412 3.994 10.499 1.00 0.00 O ATOM 1125 CB ALA A 68 2.232 3.174 10.506 1.00 0.00 C ATOM 0 H ALA A 68 2.605 0.738 10.484 1.00 0.00 H new ATOM 0 HA ALA A 68 3.718 2.854 9.013 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.300 4.260 10.448 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.424 2.826 9.862 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.029 2.878 11.535 1.00 0.00 H new ATOM 1131 N GLN A 69 4.931 2.419 12.037 1.00 0.00 N ATOM 1132 CA GLN A 69 6.058 2.746 12.908 1.00 0.00 C ATOM 1133 C GLN A 69 7.385 2.566 12.162 1.00 0.00 C ATOM 1134 O GLN A 69 8.325 3.345 12.346 1.00 0.00 O ATOM 1135 CB GLN A 69 6.018 1.868 14.165 1.00 0.00 C ATOM 1136 CG GLN A 69 7.103 2.184 15.189 1.00 0.00 C ATOM 1137 CD GLN A 69 6.984 1.341 16.446 1.00 0.00 C ATOM 1138 OE1 GLN A 69 6.518 0.201 16.408 1.00 0.00 O ATOM 1139 NE2 GLN A 69 7.405 1.894 17.571 1.00 0.00 N ATOM 0 H GLN A 69 4.338 1.666 12.385 1.00 0.00 H new ATOM 0 HA GLN A 69 5.980 3.791 13.209 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.043 1.979 14.640 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.110 0.824 13.867 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.082 2.020 14.738 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.048 3.239 15.457 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.785 2.841 17.563 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.350 1.374 18.447 1.00 0.00 H new ATOM 1148 N ARG A 70 7.451 1.540 11.313 1.00 0.00 N ATOM 1149 CA ARG A 70 8.623 1.305 10.466 1.00 0.00 C ATOM 1150 C ARG A 70 8.766 2.473 9.483 1.00 0.00 C ATOM 1151 O ARG A 70 9.867 2.949 9.216 1.00 0.00 O ATOM 1152 CB ARG A 70 8.472 -0.037 9.715 1.00 0.00 C ATOM 1153 CG ARG A 70 9.755 -0.873 9.587 1.00 0.00 C ATOM 1154 CD ARG A 70 10.772 -0.287 8.603 1.00 0.00 C ATOM 1155 NE ARG A 70 11.536 0.827 9.172 1.00 0.00 N ATOM 1156 CZ ARG A 70 12.498 1.488 8.519 1.00 0.00 C ATOM 1157 NH1 ARG A 70 12.849 1.127 7.290 1.00 0.00 N ATOM 1158 NH2 ARG A 70 13.123 2.502 9.103 1.00 0.00 N ATOM 0 H ARG A 70 6.704 0.856 11.193 1.00 0.00 H new ATOM 0 HA ARG A 70 9.522 1.245 11.079 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.718 -0.636 10.226 1.00 0.00 H new ATOM 0 HB3 ARG A 70 8.092 0.168 8.714 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.221 -0.961 10.569 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.492 -1.881 9.267 1.00 0.00 H new ATOM 0 HD2 ARG A 70 11.461 -1.071 8.289 1.00 0.00 H new ATOM 0 HD3 ARG A 70 10.250 0.055 7.709 1.00 0.00 H new ATOM 0 HE ARG A 70 11.320 1.116 10.126 1.00 0.00 H new ATOM 0 HH11 ARG A 70 12.384 0.340 6.837 1.00 0.00 H new ATOM 0 HH12 ARG A 70 13.584 1.637 6.799 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.870 2.779 10.052 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.856 3.005 8.603 1.00 0.00 H new ATOM 1172 N LEU A 71 7.626 2.949 8.979 1.00 0.00 N ATOM 1173 CA LEU A 71 7.577 4.135 8.108 1.00 0.00 C ATOM 1174 C LEU A 71 7.676 5.432 8.926 1.00 0.00 C ATOM 1175 O LEU A 71 7.356 6.506 8.422 1.00 0.00 O ATOM 1176 CB LEU A 71 6.296 4.147 7.254 1.00 0.00 C ATOM 1177 CG LEU A 71 6.294 3.206 6.030 1.00 0.00 C ATOM 1178 CD1 LEU A 71 6.387 1.742 6.452 1.00 0.00 C ATOM 1179 CD2 LEU A 71 5.054 3.445 5.169 1.00 0.00 C ATOM 0 H LEU A 71 6.714 2.530 9.159 1.00 0.00 H new ATOM 0 HA LEU A 71 8.437 4.081 7.441 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.454 3.882 7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.124 5.165 6.906 1.00 0.00 H new ATOM 0 HG LEU A 71 7.177 3.434 5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.383 1.107 5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.310 1.582 7.009 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.534 1.490 7.083 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.071 2.772 4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.158 3.256 5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.047 4.478 4.820 1.00 0.00 H new ATOM 1191 N ASN A 72 8.068 5.295 10.201 1.00 0.00 N ATOM 1192 CA ASN A 72 8.289 6.416 11.137 1.00 0.00 C ATOM 1193 C ASN A 72 7.020 7.230 11.390 1.00 0.00 C ATOM 1194 O ASN A 72 7.088 8.374 11.856 1.00 0.00 O ATOM 1195 CB ASN A 72 9.461 7.344 10.717 1.00 0.00 C ATOM 1196 CG ASN A 72 9.217 8.170 9.457 1.00 0.00 C ATOM 1197 OD1 ASN A 72 9.726 7.848 8.379 1.00 0.00 O ATOM 1198 ND2 ASN A 72 8.437 9.235 9.576 1.00 0.00 N ATOM 0 H ASN A 72 8.245 4.383 10.623 1.00 0.00 H new ATOM 0 HA ASN A 72 8.575 5.944 12.077 1.00 0.00 H new ATOM 0 HB2 ASN A 72 9.678 8.024 11.541 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.351 6.733 10.565 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.241 9.817 8.762 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.033 9.472 10.482 1.00 0.00 H new ATOM 1205 N TYR A 73 5.868 6.633 11.114 1.00 0.00 N ATOM 1206 CA TYR A 73 4.585 7.236 11.459 1.00 0.00 C ATOM 1207 C TYR A 73 4.249 6.919 12.918 1.00 0.00 C ATOM 1208 O TYR A 73 4.543 5.820 13.394 1.00 0.00 O ATOM 1209 CB TYR A 73 3.463 6.707 10.554 1.00 0.00 C ATOM 1210 CG TYR A 73 3.676 6.923 9.065 1.00 0.00 C ATOM 1211 CD1 TYR A 73 4.330 8.052 8.576 1.00 0.00 C ATOM 1212 CD2 TYR A 73 3.195 5.998 8.145 1.00 0.00 C ATOM 1213 CE1 TYR A 73 4.495 8.245 7.216 1.00 0.00 C ATOM 1214 CE2 TYR A 73 3.360 6.184 6.788 1.00 0.00 C ATOM 1215 CZ TYR A 73 4.009 7.308 6.327 1.00 0.00 C ATOM 1216 OH TYR A 73 4.166 7.498 4.973 1.00 0.00 O ATOM 0 H TYR A 73 5.795 5.728 10.650 1.00 0.00 H new ATOM 0 HA TYR A 73 4.664 8.314 11.317 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.344 5.639 10.736 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.528 7.186 10.844 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.714 8.787 9.268 1.00 0.00 H new ATOM 0 HD2 TYR A 73 2.682 5.116 8.500 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.002 9.126 6.851 1.00 0.00 H new ATOM 0 HE2 TYR A 73 2.982 5.451 6.090 1.00 0.00 H new ATOM 0 HH TYR A 73 4.352 8.443 4.795 1.00 0.00 H new ATOM 1226 N PRO A 74 3.645 7.874 13.651 1.00 0.00 N ATOM 1227 CA PRO A 74 3.228 7.657 15.042 1.00 0.00 C ATOM 1228 C PRO A 74 2.304 6.441 15.188 1.00 0.00 C ATOM 1229 O PRO A 74 1.282 6.341 14.493 1.00 0.00 O ATOM 1230 CB PRO A 74 2.481 8.951 15.401 1.00 0.00 C ATOM 1231 CG PRO A 74 3.035 9.974 14.472 1.00 0.00 C ATOM 1232 CD PRO A 74 3.339 9.242 13.194 1.00 0.00 C ATOM 0 HA PRO A 74 4.076 7.449 15.694 1.00 0.00 H new ATOM 0 HB2 PRO A 74 1.405 8.837 15.269 1.00 0.00 H new ATOM 0 HB3 PRO A 74 2.647 9.229 16.442 1.00 0.00 H new ATOM 0 HG2 PRO A 74 2.318 10.777 14.302 1.00 0.00 H new ATOM 0 HG3 PRO A 74 3.934 10.431 14.885 1.00 0.00 H new ATOM 0 HD2 PRO A 74 2.490 9.257 12.510 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.182 9.688 12.666 1.00 0.00 H new ATOM 1240 N PRO A 75 2.657 5.497 16.086 1.00 0.00 N ATOM 1241 CA PRO A 75 1.840 4.306 16.349 1.00 0.00 C ATOM 1242 C PRO A 75 0.560 4.655 17.116 1.00 0.00 C ATOM 1243 O PRO A 75 0.136 5.812 17.138 1.00 0.00 O ATOM 1244 CB PRO A 75 2.773 3.420 17.187 1.00 0.00 C ATOM 1245 CG PRO A 75 3.687 4.377 17.873 1.00 0.00 C ATOM 1246 CD PRO A 75 3.885 5.519 16.912 1.00 0.00 C ATOM 0 HA PRO A 75 1.494 3.820 15.437 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.212 2.823 17.906 1.00 0.00 H new ATOM 0 HB3 PRO A 75 3.328 2.723 16.559 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.255 4.726 18.811 1.00 0.00 H new ATOM 0 HG3 PRO A 75 4.638 3.903 18.117 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.999 6.468 17.436 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.779 5.381 16.304 1.00 0.00 H new ATOM 1254 N GLY A 76 -0.056 3.655 17.738 1.00 0.00 N ATOM 1255 CA GLY A 76 -1.306 3.879 18.450 1.00 0.00 C ATOM 1256 C GLY A 76 -2.479 4.007 17.498 1.00 0.00 C ATOM 1257 O GLY A 76 -3.529 4.545 17.857 1.00 0.00 O ATOM 0 H GLY A 76 0.285 2.694 17.763 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.485 3.054 19.139 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.225 4.784 19.051 1.00 0.00 H new ATOM 1261 N LYS A 77 -2.281 3.506 16.275 1.00 0.00 N ATOM 1262 CA LYS A 77 -3.293 3.541 15.215 1.00 0.00 C ATOM 1263 C LYS A 77 -3.492 4.965 14.675 1.00 0.00 C ATOM 1264 O LYS A 77 -4.294 5.179 13.763 1.00 0.00 O ATOM 1265 CB LYS A 77 -4.625 2.952 15.726 1.00 0.00 C ATOM 1266 CG LYS A 77 -5.685 2.738 14.647 1.00 0.00 C ATOM 1267 CD LYS A 77 -6.972 2.124 15.206 1.00 0.00 C ATOM 1268 CE LYS A 77 -7.790 3.110 16.047 1.00 0.00 C ATOM 1269 NZ LYS A 77 -7.110 3.514 17.307 1.00 0.00 N ATOM 0 H LYS A 77 -1.408 3.062 15.991 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.937 2.927 14.388 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -4.422 1.997 16.211 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.031 3.616 16.488 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.917 3.693 14.175 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -5.283 2.087 13.870 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.585 1.764 14.380 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.719 1.257 15.816 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.997 4.000 15.452 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.752 2.659 16.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.820 3.663 18.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.451 2.765 17.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.583 4.397 17.149 1.00 0.00 H new ATOM 1283 N ASN A 78 -2.716 5.921 15.200 1.00 0.00 N ATOM 1284 CA ASN A 78 -2.863 7.336 14.837 1.00 0.00 C ATOM 1285 C ASN A 78 -2.814 7.523 13.323 1.00 0.00 C ATOM 1286 O ASN A 78 -3.751 8.052 12.724 1.00 0.00 O ATOM 1287 CB ASN A 78 -1.764 8.188 15.495 1.00 0.00 C ATOM 1288 CG ASN A 78 -1.861 8.227 17.013 1.00 0.00 C ATOM 1289 OD1 ASN A 78 -2.316 7.276 17.646 1.00 0.00 O ATOM 1290 ND2 ASN A 78 -1.427 9.327 17.607 1.00 0.00 N ATOM 0 H ASN A 78 -1.978 5.739 15.880 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.836 7.666 15.201 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.789 7.793 15.210 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.822 9.205 15.108 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -1.463 9.406 18.623 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.056 10.096 17.049 1.00 0.00 H new ATOM 1297 N ILE A 79 -1.724 7.079 12.704 1.00 0.00 N ATOM 1298 CA ILE A 79 -1.590 7.150 11.248 1.00 0.00 C ATOM 1299 C ILE A 79 -1.866 5.782 10.623 1.00 0.00 C ATOM 1300 O ILE A 79 -2.107 5.672 9.421 1.00 0.00 O ATOM 1301 CB ILE A 79 -0.185 7.658 10.828 1.00 0.00 C ATOM 1302 CG1 ILE A 79 0.103 9.027 11.471 1.00 0.00 C ATOM 1303 CG2 ILE A 79 -0.067 7.753 9.305 1.00 0.00 C ATOM 1304 CD1 ILE A 79 -0.955 10.079 11.188 1.00 0.00 C ATOM 0 H ILE A 79 -0.923 6.668 13.183 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.326 7.866 10.882 1.00 0.00 H new ATOM 0 HB ILE A 79 0.554 6.939 11.182 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.193 8.898 12.550 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.066 9.390 11.112 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.927 8.111 9.039 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.228 6.769 8.866 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.817 8.447 8.925 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.678 11.014 11.676 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.030 10.239 10.112 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.917 9.740 11.572 1.00 0.00 H new ATOM 1316 N GLY A 80 -1.853 4.744 11.458 1.00 0.00 N ATOM 1317 CA GLY A 80 -2.153 3.400 10.991 1.00 0.00 C ATOM 1318 C GLY A 80 -3.503 3.327 10.301 1.00 0.00 C ATOM 1319 O GLY A 80 -3.639 2.710 9.239 1.00 0.00 O ATOM 0 H GLY A 80 -1.639 4.811 12.453 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.375 3.074 10.301 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.140 2.711 11.836 1.00 0.00 H new ATOM 1323 N SER A 81 -4.500 3.981 10.896 1.00 0.00 N ATOM 1324 CA SER A 81 -5.837 4.023 10.320 1.00 0.00 C ATOM 1325 C SER A 81 -5.825 4.826 9.018 1.00 0.00 C ATOM 1326 O SER A 81 -6.481 4.454 8.054 1.00 0.00 O ATOM 1327 CB SER A 81 -6.840 4.625 11.315 1.00 0.00 C ATOM 1328 OG SER A 81 -8.172 4.513 10.835 1.00 0.00 O ATOM 0 H SER A 81 -4.404 4.488 11.776 1.00 0.00 H new ATOM 0 HA SER A 81 -6.150 3.003 10.099 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.753 4.117 12.275 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.600 5.674 11.487 1.00 0.00 H new ATOM 0 HG SER A 81 -8.789 4.903 11.489 1.00 0.00 H new ATOM 1334 N LEU A 82 -5.057 5.918 9.000 1.00 0.00 N ATOM 1335 CA LEU A 82 -4.914 6.759 7.805 1.00 0.00 C ATOM 1336 C LEU A 82 -4.428 5.903 6.630 1.00 0.00 C ATOM 1337 O LEU A 82 -5.022 5.902 5.538 1.00 0.00 O ATOM 1338 CB LEU A 82 -3.929 7.914 8.113 1.00 0.00 C ATOM 1339 CG LEU A 82 -3.785 9.033 7.052 1.00 0.00 C ATOM 1340 CD1 LEU A 82 -2.907 8.595 5.878 1.00 0.00 C ATOM 1341 CD2 LEU A 82 -5.157 9.496 6.565 1.00 0.00 C ATOM 0 H LEU A 82 -4.521 6.244 9.804 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.875 7.192 7.528 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.236 8.377 9.051 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.943 7.480 8.280 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.287 9.876 7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -2.832 9.409 5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.912 8.340 6.243 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.351 7.723 5.397 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.033 10.282 5.820 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.688 8.655 6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.731 9.882 7.407 1.00 0.00 H new ATOM 1353 N LEU A 83 -3.357 5.157 6.886 1.00 0.00 N ATOM 1354 CA LEU A 83 -2.785 4.237 5.911 1.00 0.00 C ATOM 1355 C LEU A 83 -3.843 3.258 5.410 1.00 0.00 C ATOM 1356 O LEU A 83 -4.089 3.157 4.206 1.00 0.00 O ATOM 1357 CB LEU A 83 -1.607 3.479 6.547 1.00 0.00 C ATOM 1358 CG LEU A 83 -1.049 2.297 5.734 1.00 0.00 C ATOM 1359 CD1 LEU A 83 -0.638 2.740 4.335 1.00 0.00 C ATOM 1360 CD2 LEU A 83 0.130 1.654 6.466 1.00 0.00 C ATOM 0 H LEU A 83 -2.861 5.174 7.777 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.422 4.807 5.056 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.798 4.187 6.724 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.923 3.107 7.522 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.839 1.553 5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.247 1.885 3.783 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.505 3.145 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.133 3.508 4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.513 0.820 5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.919 2.393 6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.200 1.290 7.439 1.00 0.00 H new ATOM 1372 N ARG A 84 -4.479 2.561 6.346 1.00 0.00 N ATOM 1373 CA ARG A 84 -5.499 1.569 6.017 1.00 0.00 C ATOM 1374 C ARG A 84 -6.648 2.208 5.229 1.00 0.00 C ATOM 1375 O ARG A 84 -7.143 1.632 4.258 1.00 0.00 O ATOM 1376 CB ARG A 84 -6.004 0.902 7.313 1.00 0.00 C ATOM 1377 CG ARG A 84 -7.085 -0.165 7.118 1.00 0.00 C ATOM 1378 CD ARG A 84 -8.489 0.432 7.079 1.00 0.00 C ATOM 1379 NE ARG A 84 -9.515 -0.585 6.867 1.00 0.00 N ATOM 1380 CZ ARG A 84 -10.783 -0.461 7.258 1.00 0.00 C ATOM 1381 NH1 ARG A 84 -11.180 0.625 7.916 1.00 0.00 N ATOM 1382 NH2 ARG A 84 -11.649 -1.428 6.989 1.00 0.00 N ATOM 0 H ARG A 84 -4.305 2.665 7.346 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.061 0.801 5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.155 0.447 7.823 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.395 1.676 7.973 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.896 -0.705 6.190 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.024 -0.892 7.928 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.686 0.955 8.015 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.545 1.174 6.282 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.244 -1.445 6.389 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.513 1.368 8.124 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.152 0.715 8.213 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.343 -2.261 6.486 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.621 -1.339 7.286 1.00 0.00 H new ATOM 1396 N SER A 85 -7.045 3.410 5.636 1.00 0.00 N ATOM 1397 CA SER A 85 -8.169 4.106 5.022 1.00 0.00 C ATOM 1398 C SER A 85 -7.911 4.378 3.537 1.00 0.00 C ATOM 1399 O SER A 85 -8.788 4.155 2.701 1.00 0.00 O ATOM 1400 CB SER A 85 -8.457 5.415 5.768 1.00 0.00 C ATOM 1401 OG SER A 85 -8.796 5.163 7.124 1.00 0.00 O ATOM 0 H SER A 85 -6.600 3.925 6.395 1.00 0.00 H new ATOM 0 HA SER A 85 -9.045 3.461 5.094 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.582 6.064 5.722 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.273 5.945 5.278 1.00 0.00 H new ATOM 0 HG SER A 85 -8.075 4.656 7.553 1.00 0.00 H new ATOM 1407 N HIS A 86 -6.706 4.850 3.207 1.00 0.00 N ATOM 1408 CA HIS A 86 -6.357 5.103 1.803 1.00 0.00 C ATOM 1409 C HIS A 86 -6.054 3.802 1.074 1.00 0.00 C ATOM 1410 O HIS A 86 -6.290 3.686 -0.131 1.00 0.00 O ATOM 1411 CB HIS A 86 -5.160 6.055 1.680 1.00 0.00 C ATOM 1412 CG HIS A 86 -5.460 7.459 2.101 1.00 0.00 C ATOM 1413 ND1 HIS A 86 -6.103 8.367 1.290 1.00 0.00 N ATOM 1414 CD2 HIS A 86 -5.198 8.110 3.255 1.00 0.00 C ATOM 1415 CE1 HIS A 86 -6.225 9.514 1.928 1.00 0.00 C ATOM 1416 NE2 HIS A 86 -5.684 9.387 3.123 1.00 0.00 N ATOM 0 H HIS A 86 -5.967 5.062 3.877 1.00 0.00 H new ATOM 0 HA HIS A 86 -7.222 5.578 1.340 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.339 5.672 2.286 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.817 6.061 0.645 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -6.433 8.181 0.343 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.699 7.702 4.121 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -6.690 10.407 1.537 1.00 0.00 H new ATOM 1425 N TYR A 87 -5.533 2.826 1.806 1.00 0.00 N ATOM 1426 CA TYR A 87 -5.236 1.519 1.236 1.00 0.00 C ATOM 1427 C TYR A 87 -6.512 0.920 0.653 1.00 0.00 C ATOM 1428 O TYR A 87 -6.510 0.407 -0.465 1.00 0.00 O ATOM 1429 CB TYR A 87 -4.653 0.588 2.310 1.00 0.00 C ATOM 1430 CG TYR A 87 -4.022 -0.684 1.765 1.00 0.00 C ATOM 1431 CD1 TYR A 87 -4.784 -1.649 1.109 1.00 0.00 C ATOM 1432 CD2 TYR A 87 -2.657 -0.922 1.913 1.00 0.00 C ATOM 1433 CE1 TYR A 87 -4.207 -2.804 0.621 1.00 0.00 C ATOM 1434 CE2 TYR A 87 -2.077 -2.075 1.425 1.00 0.00 C ATOM 1435 CZ TYR A 87 -2.854 -3.013 0.781 1.00 0.00 C ATOM 1436 OH TYR A 87 -2.276 -4.164 0.296 1.00 0.00 O ATOM 0 H TYR A 87 -5.307 2.915 2.797 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.496 1.632 0.443 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.902 1.136 2.880 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.446 0.316 3.007 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -5.844 -1.490 0.980 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.043 -0.192 2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -4.813 -3.541 0.116 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.017 -2.242 1.548 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.302 -4.056 0.272 1.00 0.00 H new ATOM 1446 N GLU A 88 -7.597 1.037 1.420 1.00 0.00 N ATOM 1447 CA GLU A 88 -8.900 0.472 1.063 1.00 0.00 C ATOM 1448 C GLU A 88 -9.289 0.769 -0.389 1.00 0.00 C ATOM 1449 O GLU A 88 -9.907 -0.065 -1.052 1.00 0.00 O ATOM 1450 CB GLU A 88 -9.987 1.025 1.999 1.00 0.00 C ATOM 1451 CG GLU A 88 -11.386 0.483 1.710 1.00 0.00 C ATOM 1452 CD GLU A 88 -12.481 1.247 2.438 1.00 0.00 C ATOM 1453 OE1 GLU A 88 -12.938 2.284 1.910 1.00 0.00 O ATOM 1454 OE2 GLU A 88 -12.896 0.816 3.536 1.00 0.00 O ATOM 0 H GLU A 88 -7.597 1.530 2.313 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.818 -0.609 1.172 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.721 0.787 3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.005 2.112 1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -11.572 0.527 0.637 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.430 -0.567 1.999 1.00 0.00 H new ATOM 1461 N ARG A 89 -8.937 1.952 -0.883 1.00 0.00 N ATOM 1462 CA ARG A 89 -9.373 2.366 -2.218 1.00 0.00 C ATOM 1463 C ARG A 89 -8.225 2.359 -3.227 1.00 0.00 C ATOM 1464 O ARG A 89 -8.403 1.952 -4.376 1.00 0.00 O ATOM 1465 CB ARG A 89 -10.020 3.753 -2.140 1.00 0.00 C ATOM 1466 CG ARG A 89 -10.679 4.212 -3.439 1.00 0.00 C ATOM 1467 CD ARG A 89 -11.665 5.344 -3.185 1.00 0.00 C ATOM 1468 NE ARG A 89 -12.725 4.931 -2.260 1.00 0.00 N ATOM 1469 CZ ARG A 89 -13.483 5.769 -1.549 1.00 0.00 C ATOM 1470 NH1 ARG A 89 -13.317 7.084 -1.655 1.00 0.00 N ATOM 1471 NH2 ARG A 89 -14.409 5.282 -0.729 1.00 0.00 N ATOM 0 H ARG A 89 -8.360 2.634 -0.390 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.107 1.642 -2.572 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.769 3.748 -1.348 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.260 4.480 -1.855 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -9.914 4.543 -4.141 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -11.196 3.373 -3.904 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.136 6.204 -2.774 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.107 5.662 -4.129 1.00 0.00 H new ATOM 0 HE ARG A 89 -12.896 3.931 -2.152 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.606 7.459 -2.283 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.900 7.717 -1.108 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -14.537 4.273 -0.646 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.991 5.917 -0.183 1.00 0.00 H new ATOM 1485 N ILE A 90 -7.046 2.792 -2.796 1.00 0.00 N ATOM 1486 CA ILE A 90 -5.913 2.951 -3.706 1.00 0.00 C ATOM 1487 C ILE A 90 -5.114 1.653 -3.859 1.00 0.00 C ATOM 1488 O ILE A 90 -4.928 1.154 -4.969 1.00 0.00 O ATOM 1489 CB ILE A 90 -4.963 4.082 -3.226 1.00 0.00 C ATOM 1490 CG1 ILE A 90 -5.717 5.421 -3.130 1.00 0.00 C ATOM 1491 CG2 ILE A 90 -3.750 4.212 -4.149 1.00 0.00 C ATOM 1492 CD1 ILE A 90 -6.287 5.908 -4.449 1.00 0.00 C ATOM 0 H ILE A 90 -6.848 3.039 -1.826 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.331 3.217 -4.677 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.602 3.817 -2.232 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.530 5.317 -2.412 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.040 6.179 -2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.103 5.011 -3.789 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.197 3.273 -4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.085 4.445 -5.160 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.802 6.856 -4.295 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.478 6.047 -5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.991 5.171 -4.835 1.00 0.00 H new ATOM 1504 N VAL A 91 -4.651 1.101 -2.740 1.00 0.00 N ATOM 1505 CA VAL A 91 -3.693 -0.005 -2.771 1.00 0.00 C ATOM 1506 C VAL A 91 -4.386 -1.365 -2.634 1.00 0.00 C ATOM 1507 O VAL A 91 -3.777 -2.409 -2.875 1.00 0.00 O ATOM 1508 CB VAL A 91 -2.631 0.152 -1.648 1.00 0.00 C ATOM 1509 CG1 VAL A 91 -1.481 -0.841 -1.829 1.00 0.00 C ATOM 1510 CG2 VAL A 91 -2.108 1.588 -1.593 1.00 0.00 C ATOM 0 H VAL A 91 -4.922 1.399 -1.803 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.200 0.031 -3.742 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.115 -0.071 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.754 -0.706 -1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.871 -1.859 -1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.998 -0.667 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.366 1.675 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.650 1.845 -2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.935 2.269 -1.392 1.00 0.00 H new ATOM 1520 N TYR A 92 -5.663 -1.354 -2.264 1.00 0.00 N ATOM 1521 CA TYR A 92 -6.408 -2.594 -2.037 1.00 0.00 C ATOM 1522 C TYR A 92 -6.441 -3.457 -3.309 1.00 0.00 C ATOM 1523 O TYR A 92 -6.125 -4.645 -3.252 1.00 0.00 O ATOM 1524 CB TYR A 92 -7.829 -2.287 -1.536 1.00 0.00 C ATOM 1525 CG TYR A 92 -8.452 -3.370 -0.667 1.00 0.00 C ATOM 1526 CD1 TYR A 92 -7.806 -4.580 -0.425 1.00 0.00 C ATOM 1527 CD2 TYR A 92 -9.692 -3.166 -0.074 1.00 0.00 C ATOM 1528 CE1 TYR A 92 -8.383 -5.547 0.376 1.00 0.00 C ATOM 1529 CE2 TYR A 92 -10.271 -4.127 0.730 1.00 0.00 C ATOM 1530 CZ TYR A 92 -9.613 -5.314 0.952 1.00 0.00 C ATOM 1531 OH TYR A 92 -10.184 -6.267 1.761 1.00 0.00 O ATOM 0 H TYR A 92 -6.205 -0.503 -2.114 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.894 -3.165 -1.264 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -7.805 -1.356 -0.969 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.474 -2.119 -2.399 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.840 -4.765 -0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.214 -2.236 -0.246 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.872 -6.482 0.550 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.235 -3.948 1.182 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.990 -6.622 1.330 1.00 0.00 H new ATOM 1541 N PRO A 93 -6.799 -2.882 -4.485 1.00 0.00 N ATOM 1542 CA PRO A 93 -6.760 -3.624 -5.754 1.00 0.00 C ATOM 1543 C PRO A 93 -5.362 -4.187 -6.031 1.00 0.00 C ATOM 1544 O PRO A 93 -5.210 -5.239 -6.658 1.00 0.00 O ATOM 1545 CB PRO A 93 -7.143 -2.571 -6.808 1.00 0.00 C ATOM 1546 CG PRO A 93 -7.904 -1.536 -6.051 1.00 0.00 C ATOM 1547 CD PRO A 93 -7.282 -1.495 -4.682 1.00 0.00 C ATOM 0 HA PRO A 93 -7.428 -4.486 -5.751 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.258 -2.145 -7.281 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.750 -3.007 -7.601 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -7.837 -0.565 -6.541 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.962 -1.792 -5.993 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -6.466 -0.774 -4.632 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.007 -1.209 -3.919 1.00 0.00 H new ATOM 1555 N TYR A 94 -4.347 -3.483 -5.531 1.00 0.00 N ATOM 1556 CA TYR A 94 -2.961 -3.889 -5.719 1.00 0.00 C ATOM 1557 C TYR A 94 -2.614 -5.109 -4.870 1.00 0.00 C ATOM 1558 O TYR A 94 -1.662 -5.825 -5.187 1.00 0.00 O ATOM 1559 CB TYR A 94 -2.001 -2.726 -5.431 1.00 0.00 C ATOM 1560 CG TYR A 94 -1.771 -1.821 -6.632 1.00 0.00 C ATOM 1561 CD1 TYR A 94 -0.753 -2.100 -7.540 1.00 0.00 C ATOM 1562 CD2 TYR A 94 -2.563 -0.699 -6.862 1.00 0.00 C ATOM 1563 CE1 TYR A 94 -0.531 -1.289 -8.635 1.00 0.00 C ATOM 1564 CE2 TYR A 94 -2.345 0.116 -7.955 1.00 0.00 C ATOM 1565 CZ TYR A 94 -1.327 -0.183 -8.837 1.00 0.00 C ATOM 1566 OH TYR A 94 -1.109 0.625 -9.931 1.00 0.00 O ATOM 0 H TYR A 94 -4.463 -2.626 -4.991 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.842 -4.173 -6.765 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.399 -2.132 -4.608 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.044 -3.128 -5.100 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.126 -2.966 -7.385 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.361 -0.462 -6.174 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.263 -1.521 -9.330 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -2.968 0.983 -8.119 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.800 1.505 -9.631 1.00 0.00 H new ATOM 1576 N GLU A 95 -3.377 -5.357 -3.799 1.00 0.00 N ATOM 1577 CA GLU A 95 -3.208 -6.598 -3.045 1.00 0.00 C ATOM 1578 C GLU A 95 -3.548 -7.769 -3.959 1.00 0.00 C ATOM 1579 O GLU A 95 -2.763 -8.700 -4.116 1.00 0.00 O ATOM 1580 CB GLU A 95 -4.097 -6.666 -1.788 1.00 0.00 C ATOM 1581 CG GLU A 95 -3.880 -7.959 -0.994 1.00 0.00 C ATOM 1582 CD GLU A 95 -4.994 -8.272 -0.007 1.00 0.00 C ATOM 1583 OE1 GLU A 95 -6.170 -8.253 -0.419 1.00 0.00 O ATOM 1584 OE2 GLU A 95 -4.690 -8.568 1.168 1.00 0.00 O ATOM 0 H GLU A 95 -4.099 -4.731 -3.444 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.173 -6.639 -2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.885 -5.809 -1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.144 -6.593 -2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.783 -8.790 -1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -2.937 -7.887 -0.452 1.00 0.00 H new ATOM 1591 N MET A 96 -4.724 -7.688 -4.583 1.00 0.00 N ATOM 1592 CA MET A 96 -5.195 -8.728 -5.497 1.00 0.00 C ATOM 1593 C MET A 96 -4.272 -8.836 -6.711 1.00 0.00 C ATOM 1594 O MET A 96 -4.076 -9.921 -7.256 1.00 0.00 O ATOM 1595 CB MET A 96 -6.637 -8.433 -5.943 1.00 0.00 C ATOM 1596 CG MET A 96 -7.259 -9.531 -6.803 1.00 0.00 C ATOM 1597 SD MET A 96 -8.973 -9.182 -7.255 1.00 0.00 S ATOM 1598 CE MET A 96 -9.733 -9.046 -5.639 1.00 0.00 C ATOM 0 H MET A 96 -5.371 -6.907 -4.471 1.00 0.00 H new ATOM 0 HA MET A 96 -5.181 -9.682 -4.971 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.256 -8.284 -5.059 1.00 0.00 H new ATOM 0 HB3 MET A 96 -6.649 -7.497 -6.502 1.00 0.00 H new ATOM 0 HG2 MET A 96 -6.667 -9.655 -7.710 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.216 -10.477 -6.263 1.00 0.00 H new ATOM 0 HE1 MET A 96 -10.734 -9.475 -5.671 1.00 0.00 H new ATOM 0 HE2 MET A 96 -9.130 -9.584 -4.907 1.00 0.00 H new ATOM 0 HE3 MET A 96 -9.797 -7.996 -5.354 1.00 0.00 H new ATOM 1608 N TYR A 97 -3.710 -7.704 -7.124 1.00 0.00 N ATOM 1609 CA TYR A 97 -2.740 -7.667 -8.220 1.00 0.00 C ATOM 1610 C TYR A 97 -1.487 -8.476 -7.861 1.00 0.00 C ATOM 1611 O TYR A 97 -1.177 -9.487 -8.502 1.00 0.00 O ATOM 1612 CB TYR A 97 -2.379 -6.204 -8.537 1.00 0.00 C ATOM 1613 CG TYR A 97 -1.234 -6.022 -9.525 1.00 0.00 C ATOM 1614 CD1 TYR A 97 -1.408 -6.253 -10.887 1.00 0.00 C ATOM 1615 CD2 TYR A 97 0.023 -5.611 -9.089 1.00 0.00 C ATOM 1616 CE1 TYR A 97 -0.365 -6.083 -11.779 1.00 0.00 C ATOM 1617 CE2 TYR A 97 1.068 -5.439 -9.977 1.00 0.00 C ATOM 1618 CZ TYR A 97 0.870 -5.676 -11.318 1.00 0.00 C ATOM 1619 OH TYR A 97 1.911 -5.507 -12.205 1.00 0.00 O ATOM 0 H TYR A 97 -3.910 -6.792 -6.714 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.184 -8.121 -9.106 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -3.263 -5.705 -8.933 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.119 -5.700 -7.606 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.373 -6.570 -11.253 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.184 -5.423 -8.038 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.517 -6.268 -12.832 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.036 -5.120 -9.620 1.00 0.00 H new ATOM 0 HH TYR A 97 2.470 -4.757 -11.914 1.00 0.00 H new ATOM 1629 N GLN A 98 -0.787 -8.043 -6.813 1.00 0.00 N ATOM 1630 CA GLN A 98 0.462 -8.679 -6.403 1.00 0.00 C ATOM 1631 C GLN A 98 0.214 -10.132 -5.991 1.00 0.00 C ATOM 1632 O GLN A 98 0.963 -11.035 -6.374 1.00 0.00 O ATOM 1633 CB GLN A 98 1.107 -7.902 -5.246 1.00 0.00 C ATOM 1634 CG GLN A 98 2.513 -8.382 -4.891 1.00 0.00 C ATOM 1635 CD GLN A 98 3.522 -8.132 -6.003 1.00 0.00 C ATOM 1636 OE1 GLN A 98 3.420 -7.158 -6.749 1.00 0.00 O ATOM 1637 NE2 GLN A 98 4.498 -9.017 -6.129 1.00 0.00 N ATOM 0 H GLN A 98 -1.066 -7.252 -6.232 1.00 0.00 H new ATOM 0 HA GLN A 98 1.146 -8.670 -7.252 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.149 -6.845 -5.509 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.471 -7.986 -4.365 1.00 0.00 H new ATOM 0 HG2 GLN A 98 2.846 -7.877 -3.985 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.482 -9.449 -4.668 1.00 0.00 H new ATOM 0 HE21 GLN A 98 4.551 -9.812 -5.492 1.00 0.00 H new ATOM 0 HE22 GLN A 98 5.197 -8.904 -6.863 1.00 0.00 H new ATOM 1646 N SER A 99 -0.847 -10.352 -5.220 1.00 0.00 N ATOM 1647 CA SER A 99 -1.217 -11.693 -4.785 1.00 0.00 C ATOM 1648 C SER A 99 -1.571 -12.552 -5.998 1.00 0.00 C ATOM 1649 O SER A 99 -1.140 -13.697 -6.102 1.00 0.00 O ATOM 1650 CB SER A 99 -2.398 -11.631 -3.803 1.00 0.00 C ATOM 1651 OG SER A 99 -2.732 -12.916 -3.298 1.00 0.00 O ATOM 0 H SER A 99 -1.467 -9.615 -4.883 1.00 0.00 H new ATOM 0 HA SER A 99 -0.370 -12.145 -4.270 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.147 -10.969 -2.974 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.265 -11.201 -4.304 1.00 0.00 H new ATOM 0 HG SER A 99 -2.031 -13.556 -3.543 1.00 0.00 H new ATOM 1657 N GLY A 100 -2.322 -11.972 -6.932 1.00 0.00 N ATOM 1658 CA GLY A 100 -2.707 -12.686 -8.137 1.00 0.00 C ATOM 1659 C GLY A 100 -1.504 -13.093 -8.963 1.00 0.00 C ATOM 1660 O GLY A 100 -1.542 -14.090 -9.692 1.00 0.00 O ATOM 0 H GLY A 100 -2.672 -11.016 -6.874 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.278 -13.574 -7.866 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -3.363 -12.056 -8.738 1.00 0.00 H new ATOM 1664 N ALA A 101 -0.437 -12.307 -8.861 1.00 0.00 N ATOM 1665 CA ALA A 101 0.820 -12.619 -9.527 1.00 0.00 C ATOM 1666 C ALA A 101 1.549 -13.772 -8.829 1.00 0.00 C ATOM 1667 O ALA A 101 1.846 -14.797 -9.448 1.00 0.00 O ATOM 1668 CB ALA A 101 1.704 -11.377 -9.579 1.00 0.00 C ATOM 0 H ALA A 101 -0.420 -11.443 -8.319 1.00 0.00 H new ATOM 0 HA ALA A 101 0.597 -12.939 -10.545 1.00 0.00 H new ATOM 0 HB1 ALA A 101 2.642 -11.619 -10.079 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.192 -10.589 -10.131 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.911 -11.035 -8.565 1.00 0.00 H new ATOM 1674 N ASN A 102 1.813 -13.607 -7.536 1.00 0.00 N ATOM 1675 CA ASN A 102 2.607 -14.577 -6.771 1.00 0.00 C ATOM 1676 C ASN A 102 1.779 -15.802 -6.370 1.00 0.00 C ATOM 1677 O ASN A 102 2.106 -16.934 -6.743 1.00 0.00 O ATOM 1678 CB ASN A 102 3.209 -13.915 -5.521 1.00 0.00 C ATOM 1679 CG ASN A 102 4.225 -12.833 -5.860 1.00 0.00 C ATOM 1680 OD1 ASN A 102 3.880 -11.661 -6.006 1.00 0.00 O ATOM 1681 ND2 ASN A 102 5.486 -13.218 -5.989 1.00 0.00 N ATOM 0 H ASN A 102 1.489 -12.809 -6.990 1.00 0.00 H new ATOM 0 HA ASN A 102 3.414 -14.918 -7.419 1.00 0.00 H new ATOM 0 HB2 ASN A 102 2.408 -13.481 -4.923 1.00 0.00 H new ATOM 0 HB3 ASN A 102 3.688 -14.677 -4.906 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.207 -12.534 -6.217 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.735 -14.199 -5.861 1.00 0.00 H new ATOM 1688 N LEU A 103 0.716 -15.570 -5.604 1.00 0.00 N ATOM 1689 CA LEU A 103 -0.160 -16.637 -5.118 1.00 0.00 C ATOM 1690 C LEU A 103 -1.442 -16.030 -4.550 1.00 0.00 C ATOM 1691 O LEU A 103 -1.401 -15.216 -3.626 1.00 0.00 O ATOM 1692 CB LEU A 103 0.574 -17.529 -4.084 1.00 0.00 C ATOM 1693 CG LEU A 103 1.386 -16.803 -2.980 1.00 0.00 C ATOM 1694 CD1 LEU A 103 0.511 -16.419 -1.789 1.00 0.00 C ATOM 1695 CD2 LEU A 103 2.561 -17.667 -2.521 1.00 0.00 C ATOM 0 H LEU A 103 0.436 -14.637 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.434 -17.286 -5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.167 -18.164 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.252 -18.188 -4.626 1.00 0.00 H new ATOM 0 HG LEU A 103 1.773 -15.881 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.119 -15.913 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.284 -15.752 -2.122 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.073 -17.318 -1.355 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.119 -17.141 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.186 -18.609 -2.121 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.217 -17.868 -3.368 1.00 0.00 H new ATOM 1707 N VAL A 104 -2.579 -16.399 -5.129 1.00 0.00 N ATOM 1708 CA VAL A 104 -3.847 -15.750 -4.810 1.00 0.00 C ATOM 1709 C VAL A 104 -4.667 -16.568 -3.806 1.00 0.00 C ATOM 1710 O VAL A 104 -5.274 -17.588 -4.143 1.00 0.00 O ATOM 1711 CB VAL A 104 -4.673 -15.467 -6.098 1.00 0.00 C ATOM 1712 CG1 VAL A 104 -4.922 -16.745 -6.900 1.00 0.00 C ATOM 1713 CG2 VAL A 104 -5.987 -14.763 -5.761 1.00 0.00 C ATOM 0 H VAL A 104 -2.650 -17.144 -5.822 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.611 -14.795 -4.341 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.083 -14.799 -6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -5.502 -16.508 -7.792 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.968 -17.182 -7.193 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.475 -17.457 -6.287 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.546 -14.577 -6.678 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -6.578 -15.394 -5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -5.775 -13.815 -5.266 1.00 0.00 H new ATOM 1723 N CYS A 105 -4.635 -16.135 -2.553 1.00 0.00 N ATOM 1724 CA CYS A 105 -5.451 -16.733 -1.497 1.00 0.00 C ATOM 1725 C CYS A 105 -6.177 -15.645 -0.705 1.00 0.00 C ATOM 1726 O CYS A 105 -6.850 -15.922 0.290 1.00 0.00 O ATOM 1727 CB CYS A 105 -4.571 -17.578 -0.569 1.00 0.00 C ATOM 1728 SG CYS A 105 -3.696 -18.917 -1.413 1.00 0.00 S ATOM 0 H CYS A 105 -4.047 -15.364 -2.238 1.00 0.00 H new ATOM 0 HA CYS A 105 -6.199 -17.381 -1.954 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -3.842 -16.929 -0.084 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -5.193 -18.003 0.219 1.00 0.00 H new ATOM 0 HG CYS A 105 -4.041 -18.939 -2.666 1.00 0.00 H new ATOM 1734 N ASN A 106 -6.050 -14.404 -1.177 1.00 0.00 N ATOM 1735 CA ASN A 106 -6.589 -13.238 -0.475 1.00 0.00 C ATOM 1736 C ASN A 106 -8.025 -12.945 -0.896 1.00 0.00 C ATOM 1737 O ASN A 106 -8.652 -12.035 -0.362 1.00 0.00 O ATOM 1738 CB ASN A 106 -5.733 -11.997 -0.765 1.00 0.00 C ATOM 1739 CG ASN A 106 -5.783 -11.593 -2.233 1.00 0.00 C ATOM 1740 OD1 ASN A 106 -5.834 -12.446 -3.125 1.00 0.00 O ATOM 1741 ND2 ASN A 106 -5.805 -10.298 -2.494 1.00 0.00 N ATOM 0 H ASN A 106 -5.574 -14.179 -2.051 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.571 -13.468 0.590 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.080 -11.167 -0.150 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -4.700 -12.196 -0.480 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.866 -9.973 -3.459 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -5.761 -9.623 -1.731 1.00 0.00 H new ATOM 1748 N THR A 107 -8.541 -13.722 -1.841 1.00 0.00 N ATOM 1749 CA THR A 107 -9.849 -13.458 -2.438 1.00 0.00 C ATOM 1750 C THR A 107 -10.944 -13.278 -1.385 1.00 0.00 C ATOM 1751 O THR A 107 -11.798 -12.397 -1.511 1.00 0.00 O ATOM 1752 CB THR A 107 -10.249 -14.596 -3.402 1.00 0.00 C ATOM 1753 OG1 THR A 107 -10.145 -15.863 -2.732 1.00 0.00 O ATOM 1754 CG2 THR A 107 -9.363 -14.599 -4.642 1.00 0.00 C ATOM 0 H THR A 107 -8.071 -14.547 -2.214 1.00 0.00 H new ATOM 0 HA THR A 107 -9.755 -12.523 -2.990 1.00 0.00 H new ATOM 0 HB THR A 107 -11.280 -14.430 -3.715 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.402 -16.581 -3.348 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.666 -15.410 -5.304 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.465 -13.648 -5.164 1.00 0.00 H new ATOM 0 HG23 THR A 107 -8.324 -14.741 -4.346 1.00 0.00 H new ATOM 1762 N ARG A 108 -10.908 -14.100 -0.339 1.00 0.00 N ATOM 1763 CA ARG A 108 -11.945 -14.068 0.691 1.00 0.00 C ATOM 1764 C ARG A 108 -11.670 -13.002 1.755 1.00 0.00 C ATOM 1765 O ARG A 108 -12.573 -12.249 2.088 1.00 0.00 O ATOM 1766 CB ARG A 108 -12.128 -15.450 1.334 1.00 0.00 C ATOM 1767 CG ARG A 108 -12.699 -16.499 0.388 1.00 0.00 C ATOM 1768 CD ARG A 108 -12.869 -17.848 1.074 1.00 0.00 C ATOM 1769 NE ARG A 108 -13.469 -18.843 0.183 1.00 0.00 N ATOM 1770 CZ ARG A 108 -13.156 -20.139 0.184 1.00 0.00 C ATOM 1771 NH1 ARG A 108 -12.217 -20.602 1.002 1.00 0.00 N ATOM 1772 NH2 ARG A 108 -13.779 -20.969 -0.641 1.00 0.00 N ATOM 0 H ARG A 108 -10.176 -14.793 -0.182 1.00 0.00 H new ATOM 0 HA ARG A 108 -12.877 -13.795 0.196 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.164 -15.797 1.707 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.788 -15.354 2.196 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -13.663 -16.160 0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.039 -16.610 -0.473 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -11.898 -18.206 1.416 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -13.495 -17.729 1.959 1.00 0.00 H new ATOM 0 HE ARG A 108 -14.173 -18.524 -0.482 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -11.731 -19.965 1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -11.982 -21.594 0.998 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -14.496 -20.616 -1.275 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.541 -21.961 -0.642 1.00 0.00 H new ATOM 1786 N PRO A 109 -10.445 -12.927 2.334 1.00 0.00 N ATOM 1787 CA PRO A 109 -10.083 -11.824 3.240 1.00 0.00 C ATOM 1788 C PRO A 109 -10.436 -10.465 2.629 1.00 0.00 C ATOM 1789 O PRO A 109 -11.057 -9.610 3.276 1.00 0.00 O ATOM 1790 CB PRO A 109 -8.565 -11.983 3.396 1.00 0.00 C ATOM 1791 CG PRO A 109 -8.329 -13.445 3.218 1.00 0.00 C ATOM 1792 CD PRO A 109 -9.342 -13.906 2.199 1.00 0.00 C ATOM 0 HA PRO A 109 -10.617 -11.860 4.190 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.025 -11.399 2.651 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.227 -11.642 4.375 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.313 -13.638 2.874 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -8.453 -13.978 4.161 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -8.926 -13.904 1.192 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.681 -14.922 2.402 1.00 0.00 H new ATOM 1800 N PHE A 110 -10.059 -10.306 1.364 1.00 0.00 N ATOM 1801 CA PHE A 110 -10.380 -9.116 0.585 1.00 0.00 C ATOM 1802 C PHE A 110 -11.886 -8.858 0.641 1.00 0.00 C ATOM 1803 O PHE A 110 -12.341 -7.817 1.122 1.00 0.00 O ATOM 1804 CB PHE A 110 -9.928 -9.322 -0.875 1.00 0.00 C ATOM 1805 CG PHE A 110 -9.911 -8.069 -1.721 1.00 0.00 C ATOM 1806 CD1 PHE A 110 -11.054 -7.301 -1.886 1.00 0.00 C ATOM 1807 CD2 PHE A 110 -8.745 -7.669 -2.358 1.00 0.00 C ATOM 1808 CE1 PHE A 110 -11.032 -6.157 -2.664 1.00 0.00 C ATOM 1809 CE2 PHE A 110 -8.719 -6.528 -3.137 1.00 0.00 C ATOM 1810 CZ PHE A 110 -9.863 -5.771 -3.289 1.00 0.00 C ATOM 0 H PHE A 110 -9.520 -11.002 0.849 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.859 -8.253 1.000 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -8.927 -9.754 -0.872 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -10.589 -10.051 -1.345 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -11.972 -7.599 -1.402 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.846 -8.257 -2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -11.929 -5.567 -2.782 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -7.804 -6.229 -3.627 1.00 0.00 H new ATOM 0 HZ PHE A 110 -9.844 -4.878 -3.896 1.00 0.00 H new ATOM 1820 N ASP A 111 -12.648 -9.836 0.162 1.00 0.00 N ATOM 1821 CA ASP A 111 -14.107 -9.754 0.123 1.00 0.00 C ATOM 1822 C ASP A 111 -14.682 -9.575 1.531 1.00 0.00 C ATOM 1823 O ASP A 111 -15.709 -8.923 1.717 1.00 0.00 O ATOM 1824 CB ASP A 111 -14.668 -11.025 -0.534 1.00 0.00 C ATOM 1825 CG ASP A 111 -16.188 -11.077 -0.566 1.00 0.00 C ATOM 1826 OD1 ASP A 111 -16.793 -10.481 -1.483 1.00 0.00 O ATOM 1827 OD2 ASP A 111 -16.781 -11.743 0.310 1.00 0.00 O ATOM 0 H ASP A 111 -12.273 -10.708 -0.210 1.00 0.00 H new ATOM 0 HA ASP A 111 -14.399 -8.884 -0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -14.289 -11.094 -1.554 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -14.295 -11.896 0.004 1.00 0.00 H new ATOM 1832 N ASN A 112 -13.983 -10.120 2.521 1.00 0.00 N ATOM 1833 CA ASN A 112 -14.438 -10.088 3.910 1.00 0.00 C ATOM 1834 C ASN A 112 -14.467 -8.651 4.416 1.00 0.00 C ATOM 1835 O ASN A 112 -15.460 -8.211 4.997 1.00 0.00 O ATOM 1836 CB ASN A 112 -13.519 -10.946 4.803 1.00 0.00 C ATOM 1837 CG ASN A 112 -14.125 -11.321 6.159 1.00 0.00 C ATOM 1838 OD1 ASN A 112 -13.783 -12.360 6.726 1.00 0.00 O ATOM 1839 ND2 ASN A 112 -15.022 -10.501 6.695 1.00 0.00 N ATOM 0 H ASN A 112 -13.090 -10.594 2.387 1.00 0.00 H new ATOM 0 HA ASN A 112 -15.445 -10.502 3.954 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -13.263 -11.860 4.268 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -12.588 -10.405 4.972 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -15.444 -10.726 7.596 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -15.289 -9.647 6.206 1.00 0.00 H new ATOM 1846 N GLU A 113 -13.382 -7.913 4.194 1.00 0.00 N ATOM 1847 CA GLU A 113 -13.319 -6.526 4.655 1.00 0.00 C ATOM 1848 C GLU A 113 -13.914 -5.579 3.609 1.00 0.00 C ATOM 1849 O GLU A 113 -14.194 -4.414 3.904 1.00 0.00 O ATOM 1850 CB GLU A 113 -11.882 -6.117 5.013 1.00 0.00 C ATOM 1851 CG GLU A 113 -11.824 -4.839 5.847 1.00 0.00 C ATOM 1852 CD GLU A 113 -10.425 -4.482 6.316 1.00 0.00 C ATOM 1853 OE1 GLU A 113 -9.826 -5.276 7.073 1.00 0.00 O ATOM 1854 OE2 GLU A 113 -9.935 -3.390 5.958 1.00 0.00 O ATOM 0 H GLU A 113 -12.548 -8.243 3.707 1.00 0.00 H new ATOM 0 HA GLU A 113 -13.917 -6.451 5.563 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.404 -6.927 5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.310 -5.974 4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -12.223 -4.013 5.258 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.472 -4.953 6.716 1.00 0.00 H new