USER MOD reduce.3.24.130724 H: found=0, std=0, add=971, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 973 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 21 THR OG1 : rot 19:sc= 1.69 USER MOD Set 1.2: A 100 GLN : amide:sc= -0.0343 X(o=1.7,f=1.6) USER MOD Single : A 2 LYS NZ :NH3+ -163:sc= -0.0344 (180deg=-0.257) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= -8.21! C(o=-8.2!,f=-11!) USER MOD Single : A 15 ASN : amide:sc= -0.565 K(o=-0.56,f=-1.9) USER MOD Single : A 16 ASN : amide:sc= -3.43! C(o=-3.4!,f=-4.5!) USER MOD Single : A 31 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.4!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0302) USER MOD Single : A 42 MET CE :methyl 143:sc= 0 (180deg=-1.57) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc=-6.78e-05 K(o=-6.8e-05,f=-1.3) USER MOD Single : A 55 GLN : amide:sc= -0.245 X(o=-0.24,f=-0.084) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 63 GLN : amide:sc= -0.98 K(o=-0.98,f=-0.17) USER MOD Single : A 64 HIS : no HE2:sc= -17.6! C(o=-18!,f=-24!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-2.3!) USER MOD Single : A 81 THR OG1 : rot -150:sc= -1.06 USER MOD Single : A 97 LYS NZ :NH3+ 165:sc= -0.135 (180deg=-0.432) USER MOD Single : A 105 MET CE :methyl -157:sc= -0.0201 (180deg=-0.508) USER MOD Single : A 106 SER OG : rot -171:sc= -1.62! USER MOD Single : A 111 ASN : amide:sc=-0.00238 X(o=-0.0024,f=0) USER MOD Single : A 119 ASN : amide:sc= -4.83! C(o=-4.8!,f=-3.7!) USER MOD Single : A 125 LYS NZ :NH3+ -160:sc= -0.0279 (180deg=-0.28) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= -0.0322 (180deg=-0.0322) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -22.074 -6.104 -3.414 1.00 0.00 N ATOM 21 CA LYS A 2 -20.966 -5.299 -3.915 1.00 0.00 C ATOM 22 C LYS A 2 -19.631 -5.836 -3.411 1.00 0.00 C ATOM 23 O LYS A 2 -19.479 -6.137 -2.227 1.00 0.00 O ATOM 24 CB LYS A 2 -21.136 -3.839 -3.490 1.00 0.00 C ATOM 25 CG LYS A 2 -20.668 -2.842 -4.537 1.00 0.00 C ATOM 26 CD LYS A 2 -21.573 -1.622 -4.589 1.00 0.00 C ATOM 27 CE LYS A 2 -22.906 -1.943 -5.246 1.00 0.00 C ATOM 28 NZ LYS A 2 -22.753 -2.247 -6.696 1.00 0.00 N ATOM 0 HA LYS A 2 -20.971 -5.356 -5.003 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -22.187 -3.654 -3.268 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.581 -3.671 -2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.648 -2.530 -4.313 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.647 -3.323 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.744 -1.252 -3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -21.077 -0.824 -5.141 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -23.363 -2.795 -4.743 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -23.584 -1.099 -5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -23.679 -2.177 -7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -22.094 -1.566 -7.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -22.379 -3.211 -6.811 1.00 0.00 H new ATOM 42 N LYS A 3 -18.666 -5.953 -4.317 1.00 0.00 N ATOM 43 CA LYS A 3 -17.342 -6.453 -3.963 1.00 0.00 C ATOM 44 C LYS A 3 -16.252 -5.667 -4.686 1.00 0.00 C ATOM 45 O LYS A 3 -16.275 -5.537 -5.910 1.00 0.00 O ATOM 46 CB LYS A 3 -17.228 -7.939 -4.306 1.00 0.00 C ATOM 47 CG LYS A 3 -17.762 -8.289 -5.684 1.00 0.00 C ATOM 48 CD LYS A 3 -16.923 -9.368 -6.351 1.00 0.00 C ATOM 49 CE LYS A 3 -15.938 -8.773 -7.343 1.00 0.00 C ATOM 50 NZ LYS A 3 -14.709 -9.604 -7.472 1.00 0.00 N ATOM 0 H LYS A 3 -18.775 -5.709 -5.301 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.207 -6.323 -2.889 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -16.182 -8.238 -4.245 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.769 -8.518 -3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -18.794 -8.630 -5.599 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -17.771 -7.396 -6.309 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -16.381 -9.931 -5.591 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -17.577 -10.073 -6.864 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -16.417 -8.679 -8.318 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -15.664 -7.767 -7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -14.063 -9.164 -8.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -14.238 -9.673 -6.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -14.967 -10.556 -7.801 1.00 0.00 H new ATOM 64 N LEU A 4 -15.300 -5.147 -3.921 1.00 0.00 N ATOM 65 CA LEU A 4 -14.200 -4.374 -4.485 1.00 0.00 C ATOM 66 C LEU A 4 -12.866 -4.823 -3.897 1.00 0.00 C ATOM 67 O LEU A 4 -12.771 -5.120 -2.707 1.00 0.00 O ATOM 68 CB LEU A 4 -14.416 -2.882 -4.227 1.00 0.00 C ATOM 69 CG LEU A 4 -14.381 -2.468 -2.754 1.00 0.00 C ATOM 70 CD1 LEU A 4 -13.316 -1.408 -2.523 1.00 0.00 C ATOM 71 CD2 LEU A 4 -15.744 -1.961 -2.307 1.00 0.00 C ATOM 0 H LEU A 4 -15.267 -5.247 -2.906 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.176 -4.547 -5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.651 -2.321 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -15.379 -2.592 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 4 -14.129 -3.345 -2.158 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.306 -1.126 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.340 -1.806 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.537 -0.531 -3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -15.698 -1.672 -1.257 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -16.026 -1.098 -2.909 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -16.485 -2.750 -2.434 1.00 0.00 H new ATOM 83 N GLN A 5 -11.841 -4.886 -4.740 1.00 0.00 N ATOM 84 CA GLN A 5 -10.517 -5.316 -4.303 1.00 0.00 C ATOM 85 C GLN A 5 -9.540 -4.149 -4.215 1.00 0.00 C ATOM 86 O GLN A 5 -9.647 -3.169 -4.952 1.00 0.00 O ATOM 87 CB GLN A 5 -9.964 -6.372 -5.259 1.00 0.00 C ATOM 88 CG GLN A 5 -11.024 -7.320 -5.786 1.00 0.00 C ATOM 89 CD GLN A 5 -10.473 -8.320 -6.782 1.00 0.00 C ATOM 90 OE1 GLN A 5 -10.666 -8.182 -7.990 1.00 0.00 O ATOM 91 NE2 GLN A 5 -9.781 -9.337 -6.279 1.00 0.00 N ATOM 0 H GLN A 5 -11.901 -4.645 -5.729 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.627 -5.741 -3.305 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.482 -5.874 -6.100 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.194 -6.948 -4.746 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.474 -7.856 -4.950 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.819 -6.743 -6.259 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.645 -9.412 -5.271 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -9.386 -10.042 -6.901 1.00 0.00 H new ATOM 100 N ILE A 6 -8.582 -4.278 -3.306 1.00 0.00 N ATOM 101 CA ILE A 6 -7.560 -3.262 -3.100 1.00 0.00 C ATOM 102 C ILE A 6 -6.205 -3.915 -2.840 1.00 0.00 C ATOM 103 O ILE A 6 -6.117 -4.910 -2.121 1.00 0.00 O ATOM 104 CB ILE A 6 -7.899 -2.320 -1.918 1.00 0.00 C ATOM 105 CG1 ILE A 6 -9.286 -2.629 -1.336 1.00 0.00 C ATOM 106 CG2 ILE A 6 -7.825 -0.873 -2.372 1.00 0.00 C ATOM 107 CD1 ILE A 6 -10.434 -2.159 -2.204 1.00 0.00 C ATOM 0 H ILE A 6 -8.492 -5.088 -2.693 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.522 -2.666 -4.012 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.165 -2.486 -1.129 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -9.374 -3.705 -1.185 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -9.370 -2.161 -0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.065 -0.217 -1.536 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.818 -0.654 -2.728 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.539 -0.708 -3.179 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.380 -2.414 -1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.373 -1.079 -2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.377 -2.646 -3.177 1.00 0.00 H new ATOM 119 N ALA A 7 -5.150 -3.353 -3.424 1.00 0.00 N ATOM 120 CA ALA A 7 -3.808 -3.885 -3.244 1.00 0.00 C ATOM 121 C ALA A 7 -2.886 -2.806 -2.721 1.00 0.00 C ATOM 122 O ALA A 7 -2.981 -1.666 -3.141 1.00 0.00 O ATOM 123 CB ALA A 7 -3.271 -4.436 -4.556 1.00 0.00 C ATOM 0 H ALA A 7 -5.201 -2.530 -4.025 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.853 -4.697 -2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.266 -4.829 -4.401 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.923 -5.235 -4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.238 -3.639 -5.299 1.00 0.00 H new ATOM 129 N VAL A 8 -1.998 -3.158 -1.808 1.00 0.00 N ATOM 130 CA VAL A 8 -1.072 -2.179 -1.257 1.00 0.00 C ATOM 131 C VAL A 8 0.286 -2.801 -0.973 1.00 0.00 C ATOM 132 O VAL A 8 0.395 -3.993 -0.689 1.00 0.00 O ATOM 133 CB VAL A 8 -1.629 -1.502 0.021 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.818 -2.272 0.578 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.549 -1.343 1.086 1.00 0.00 C ATOM 0 H VAL A 8 -1.897 -4.102 -1.435 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.949 -1.406 -2.016 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.969 -0.506 -0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.187 -1.773 1.474 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.610 -2.308 -0.170 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.509 -3.287 0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.975 -0.865 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.159 -2.324 1.358 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.260 -0.727 0.694 1.00 0.00 H new ATOM 145 N GLY A 9 1.317 -1.974 -1.049 1.00 0.00 N ATOM 146 CA GLY A 9 2.662 -2.438 -0.794 1.00 0.00 C ATOM 147 C GLY A 9 3.554 -1.338 -0.259 1.00 0.00 C ATOM 148 O GLY A 9 3.614 -0.250 -0.832 1.00 0.00 O ATOM 0 H GLY A 9 1.244 -0.984 -1.284 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.632 -3.259 -0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.089 -2.834 -1.715 1.00 0.00 H new ATOM 152 N ILE A 10 4.260 -1.622 0.827 1.00 0.00 N ATOM 153 CA ILE A 10 5.165 -0.642 1.414 1.00 0.00 C ATOM 154 C ILE A 10 6.536 -0.769 0.767 1.00 0.00 C ATOM 155 O ILE A 10 7.248 -1.745 1.000 1.00 0.00 O ATOM 156 CB ILE A 10 5.303 -0.802 2.950 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.563 -2.046 3.454 1.00 0.00 C ATOM 158 CG2 ILE A 10 4.785 0.441 3.659 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.651 -2.238 4.953 1.00 0.00 C ATOM 0 H ILE A 10 4.225 -2.516 1.317 1.00 0.00 H new ATOM 0 HA ILE A 10 4.741 0.345 1.227 1.00 0.00 H new ATOM 0 HB ILE A 10 6.362 -0.928 3.177 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.514 -1.976 3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.971 -2.927 2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.888 0.315 4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.361 1.309 3.339 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.734 0.591 3.410 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.105 -3.137 5.237 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.696 -2.340 5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.216 -1.375 5.457 1.00 0.00 H new ATOM 171 N ILE A 11 6.895 0.206 -0.063 1.00 0.00 N ATOM 172 CA ILE A 11 8.176 0.169 -0.760 1.00 0.00 C ATOM 173 C ILE A 11 9.336 0.415 0.193 1.00 0.00 C ATOM 174 O ILE A 11 9.376 1.421 0.900 1.00 0.00 O ATOM 175 CB ILE A 11 8.253 1.191 -1.911 1.00 0.00 C ATOM 176 CG1 ILE A 11 6.875 1.406 -2.547 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.256 0.712 -2.956 1.00 0.00 C ATOM 178 CD1 ILE A 11 6.931 2.093 -3.895 1.00 0.00 C ATOM 0 H ILE A 11 6.322 1.025 -0.268 1.00 0.00 H new ATOM 0 HA ILE A 11 8.253 -0.833 -1.181 1.00 0.00 H new ATOM 0 HB ILE A 11 8.586 2.147 -1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.382 0.441 -2.661 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.261 2.000 -1.871 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.309 1.436 -3.769 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.239 0.610 -2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.938 -0.253 -3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.920 2.212 -4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.395 3.073 -3.785 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.518 1.489 -4.587 1.00 0.00 H new ATOM 190 N ARG A 12 10.279 -0.520 0.199 1.00 0.00 N ATOM 191 CA ARG A 12 11.451 -0.425 1.058 1.00 0.00 C ATOM 192 C ARG A 12 12.558 0.367 0.382 1.00 0.00 C ATOM 193 O ARG A 12 12.950 0.065 -0.748 1.00 0.00 O ATOM 194 CB ARG A 12 11.962 -1.819 1.422 1.00 0.00 C ATOM 195 CG ARG A 12 11.641 -2.227 2.850 1.00 0.00 C ATOM 196 CD ARG A 12 12.901 -2.389 3.687 1.00 0.00 C ATOM 197 NE ARG A 12 13.700 -3.537 3.263 1.00 0.00 N ATOM 198 CZ ARG A 12 14.782 -3.451 2.489 1.00 0.00 C ATOM 199 NH1 ARG A 12 15.203 -2.274 2.040 1.00 0.00 N ATOM 200 NH2 ARG A 12 15.447 -4.551 2.161 1.00 0.00 N ATOM 0 H ARG A 12 10.253 -1.356 -0.385 1.00 0.00 H new ATOM 0 HA ARG A 12 11.156 0.096 1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.527 -2.547 0.738 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.042 -1.851 1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.995 -1.477 3.306 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.085 -3.165 2.844 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.503 -1.483 3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.626 -2.506 4.735 1.00 0.00 H new ATOM 0 HE ARG A 12 13.411 -4.463 3.579 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.697 -1.423 2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 12 16.032 -2.221 1.448 1.00 0.00 H new ATOM 0 HH21 ARG A 12 15.130 -5.459 2.501 1.00 0.00 H new ATOM 0 HH22 ARG A 12 16.275 -4.489 1.569 1.00 0.00 H new ATOM 214 N ASN A 13 13.051 1.378 1.091 1.00 0.00 N ATOM 215 CA ASN A 13 14.118 2.240 0.589 1.00 0.00 C ATOM 216 C ASN A 13 15.491 1.618 0.782 1.00 0.00 C ATOM 217 O ASN A 13 15.630 0.456 1.163 1.00 0.00 O ATOM 218 CB ASN A 13 14.095 3.606 1.261 1.00 0.00 C ATOM 219 CG ASN A 13 14.599 4.716 0.357 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.757 4.527 -0.849 1.00 0.00 O ATOM 221 ND2 ASN A 13 14.862 5.880 0.939 1.00 0.00 N ATOM 0 H ASN A 13 12.724 1.623 2.026 1.00 0.00 H new ATOM 0 HA ASN A 13 13.933 2.360 -0.479 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.076 3.834 1.575 1.00 0.00 H new ATOM 0 HB3 ASN A 13 14.707 3.572 2.163 1.00 0.00 H new ATOM 0 HD21 ASN A 13 15.209 6.661 0.383 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.717 5.993 1.942 1.00 0.00 H new ATOM 228 N GLU A 14 16.497 2.424 0.492 1.00 0.00 N ATOM 229 CA GLU A 14 17.894 2.022 0.592 1.00 0.00 C ATOM 230 C GLU A 14 18.425 2.119 2.027 1.00 0.00 C ATOM 231 O GLU A 14 19.608 1.881 2.271 1.00 0.00 O ATOM 232 CB GLU A 14 18.730 2.910 -0.332 1.00 0.00 C ATOM 233 CG GLU A 14 20.231 2.689 -0.219 1.00 0.00 C ATOM 234 CD GLU A 14 20.904 3.705 0.684 1.00 0.00 C ATOM 235 OE1 GLU A 14 20.211 4.281 1.548 1.00 0.00 O ATOM 236 OE2 GLU A 14 22.123 3.924 0.525 1.00 0.00 O ATOM 0 H GLU A 14 16.369 3.386 0.177 1.00 0.00 H new ATOM 0 HA GLU A 14 17.969 0.977 0.292 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.424 2.732 -1.363 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.510 3.954 -0.110 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.419 1.686 0.165 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.678 2.739 -1.212 1.00 0.00 H new ATOM 243 N ASN A 15 17.561 2.470 2.976 1.00 0.00 N ATOM 244 CA ASN A 15 17.983 2.594 4.370 1.00 0.00 C ATOM 245 C ASN A 15 16.936 2.024 5.322 1.00 0.00 C ATOM 246 O ASN A 15 16.515 2.691 6.266 1.00 0.00 O ATOM 247 CB ASN A 15 18.255 4.061 4.708 1.00 0.00 C ATOM 248 CG ASN A 15 18.778 4.242 6.120 1.00 0.00 C ATOM 249 OD1 ASN A 15 19.205 3.283 6.764 1.00 0.00 O ATOM 250 ND2 ASN A 15 18.745 5.475 6.610 1.00 0.00 N ATOM 0 H ASN A 15 16.575 2.672 2.809 1.00 0.00 H new ATOM 0 HA ASN A 15 18.900 2.018 4.495 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.979 4.466 4.001 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.336 4.635 4.587 1.00 0.00 H new ATOM 0 HD21 ASN A 15 19.082 5.657 7.555 1.00 0.00 H new ATOM 0 HD22 ASN A 15 18.383 6.240 6.041 1.00 0.00 H new ATOM 257 N ASN A 16 16.519 0.786 5.063 1.00 0.00 N ATOM 258 CA ASN A 16 15.517 0.114 5.892 1.00 0.00 C ATOM 259 C ASN A 16 14.341 1.038 6.205 1.00 0.00 C ATOM 260 O ASN A 16 13.654 0.870 7.213 1.00 0.00 O ATOM 261 CB ASN A 16 16.149 -0.395 7.191 1.00 0.00 C ATOM 262 CG ASN A 16 16.606 0.730 8.101 1.00 0.00 C ATOM 263 OD1 ASN A 16 15.822 1.606 8.464 1.00 0.00 O ATOM 264 ND2 ASN A 16 17.880 0.708 8.475 1.00 0.00 N ATOM 0 H ASN A 16 16.860 0.225 4.283 1.00 0.00 H new ATOM 0 HA ASN A 16 15.136 -0.736 5.326 1.00 0.00 H new ATOM 0 HB2 ASN A 16 15.427 -1.016 7.722 1.00 0.00 H new ATOM 0 HB3 ASN A 16 17.001 -1.031 6.951 1.00 0.00 H new ATOM 0 HD21 ASN A 16 18.244 1.437 9.088 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.494 -0.038 8.149 1.00 0.00 H new ATOM 271 N GLU A 17 14.109 2.004 5.323 1.00 0.00 N ATOM 272 CA GLU A 17 13.012 2.947 5.481 1.00 0.00 C ATOM 273 C GLU A 17 12.064 2.812 4.300 1.00 0.00 C ATOM 274 O GLU A 17 12.500 2.557 3.188 1.00 0.00 O ATOM 275 CB GLU A 17 13.543 4.379 5.576 1.00 0.00 C ATOM 276 CG GLU A 17 14.533 4.735 4.478 1.00 0.00 C ATOM 277 CD GLU A 17 15.220 6.064 4.723 1.00 0.00 C ATOM 278 OE1 GLU A 17 15.834 6.225 5.799 1.00 0.00 O ATOM 279 OE2 GLU A 17 15.145 6.943 3.838 1.00 0.00 O ATOM 0 H GLU A 17 14.672 2.154 4.486 1.00 0.00 H new ATOM 0 HA GLU A 17 12.477 2.724 6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 17 12.703 5.073 5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.023 4.516 6.545 1.00 0.00 H new ATOM 0 HG2 GLU A 17 15.285 3.950 4.403 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.012 4.770 3.521 1.00 0.00 H new ATOM 286 N ILE A 18 10.772 2.964 4.541 1.00 0.00 N ATOM 287 CA ILE A 18 9.792 2.832 3.471 1.00 0.00 C ATOM 288 C ILE A 18 9.090 4.158 3.190 1.00 0.00 C ATOM 289 O ILE A 18 8.806 4.934 4.102 1.00 0.00 O ATOM 290 CB ILE A 18 8.755 1.742 3.814 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.369 0.354 3.629 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.496 1.884 2.966 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.827 -0.683 4.588 1.00 0.00 C ATOM 0 H ILE A 18 10.378 3.177 5.458 1.00 0.00 H new ATOM 0 HA ILE A 18 10.328 2.537 2.569 1.00 0.00 H new ATOM 0 HB ILE A 18 8.467 1.868 4.858 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.189 0.020 2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.449 0.424 3.756 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.787 1.101 3.233 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.044 2.859 3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.756 1.794 1.911 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.309 -1.642 4.397 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.030 -0.372 5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.751 -0.783 4.446 1.00 0.00 H new ATOM 305 N PHE A 19 8.818 4.402 1.912 1.00 0.00 N ATOM 306 CA PHE A 19 8.152 5.625 1.485 1.00 0.00 C ATOM 307 C PHE A 19 6.648 5.396 1.334 1.00 0.00 C ATOM 308 O PHE A 19 6.215 4.460 0.662 1.00 0.00 O ATOM 309 CB PHE A 19 8.779 6.119 0.168 1.00 0.00 C ATOM 310 CG PHE A 19 7.796 6.569 -0.881 1.00 0.00 C ATOM 311 CD1 PHE A 19 7.062 5.643 -1.606 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.617 7.916 -1.148 1.00 0.00 C ATOM 313 CE1 PHE A 19 6.165 6.053 -2.573 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.723 8.332 -2.117 1.00 0.00 C ATOM 315 CZ PHE A 19 5.996 7.399 -2.829 1.00 0.00 C ATOM 0 H PHE A 19 9.051 3.764 1.151 1.00 0.00 H new ATOM 0 HA PHE A 19 8.289 6.394 2.245 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.451 6.947 0.392 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.389 5.317 -0.249 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.193 4.589 -1.412 1.00 0.00 H new ATOM 0 HD2 PHE A 19 8.182 8.650 -0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.597 5.322 -3.128 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.594 9.385 -2.317 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.296 7.722 -3.585 1.00 0.00 H new ATOM 325 N ILE A 20 5.859 6.259 1.966 1.00 0.00 N ATOM 326 CA ILE A 20 4.405 6.157 1.903 1.00 0.00 C ATOM 327 C ILE A 20 3.801 7.456 1.381 1.00 0.00 C ATOM 328 O ILE A 20 4.452 8.500 1.389 1.00 0.00 O ATOM 329 CB ILE A 20 3.781 5.837 3.285 1.00 0.00 C ATOM 330 CG1 ILE A 20 4.866 5.662 4.352 1.00 0.00 C ATOM 331 CG2 ILE A 20 2.918 4.589 3.197 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.318 5.515 5.754 1.00 0.00 C ATOM 0 H ILE A 20 6.202 7.038 2.528 1.00 0.00 H new ATOM 0 HA ILE A 20 4.178 5.336 1.223 1.00 0.00 H new ATOM 0 HB ILE A 20 3.154 6.679 3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.463 4.783 4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.536 6.521 4.321 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.486 4.376 4.175 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.118 4.750 2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.530 3.745 2.879 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.143 5.395 6.456 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.745 6.404 6.016 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.671 4.639 5.802 1.00 0.00 H new ATOM 344 N THR A 21 2.554 7.388 0.930 1.00 0.00 N ATOM 345 CA THR A 21 1.869 8.565 0.410 1.00 0.00 C ATOM 346 C THR A 21 1.086 9.267 1.515 1.00 0.00 C ATOM 347 O THR A 21 0.096 8.739 2.018 1.00 0.00 O ATOM 348 CB THR A 21 0.927 8.172 -0.728 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.156 7.400 -0.239 1.00 0.00 O ATOM 350 CG2 THR A 21 1.605 7.374 -1.820 1.00 0.00 C ATOM 0 H THR A 21 1.998 6.533 0.914 1.00 0.00 H new ATOM 0 HA THR A 21 2.621 9.254 0.026 1.00 0.00 H new ATOM 0 HB THR A 21 0.580 9.114 -1.153 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.243 7.534 0.728 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.879 7.129 -2.595 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.413 7.963 -2.253 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.012 6.454 -1.399 1.00 0.00 H new ATOM 358 N ARG A 22 1.528 10.463 1.886 1.00 0.00 N ATOM 359 CA ARG A 22 0.858 11.226 2.927 1.00 0.00 C ATOM 360 C ARG A 22 -0.015 12.305 2.308 1.00 0.00 C ATOM 361 O ARG A 22 0.116 12.611 1.123 1.00 0.00 O ATOM 362 CB ARG A 22 1.887 11.856 3.868 1.00 0.00 C ATOM 363 CG ARG A 22 1.271 12.560 5.066 1.00 0.00 C ATOM 364 CD ARG A 22 2.265 12.688 6.208 1.00 0.00 C ATOM 365 NE ARG A 22 2.098 13.940 6.943 1.00 0.00 N ATOM 366 CZ ARG A 22 2.977 14.405 7.827 1.00 0.00 C ATOM 367 NH1 ARG A 22 4.088 13.725 8.089 1.00 0.00 N ATOM 368 NH2 ARG A 22 2.748 15.552 8.450 1.00 0.00 N ATOM 0 H ARG A 22 2.344 10.922 1.482 1.00 0.00 H new ATOM 0 HA ARG A 22 0.225 10.550 3.502 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.564 11.079 4.223 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.488 12.572 3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.926 13.551 4.770 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.396 12.006 5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.142 11.848 6.891 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.279 12.632 5.813 1.00 0.00 H new ATOM 0 HE ARG A 22 1.257 14.490 6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.270 12.842 7.612 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.759 14.086 8.768 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.897 16.079 8.252 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.422 15.908 9.128 1.00 0.00 H new ATOM 493 N ASN A 31 -4.580 13.082 8.454 1.00 0.00 N ATOM 494 CA ASN A 31 -4.322 11.844 9.179 1.00 0.00 C ATOM 495 C ASN A 31 -4.683 10.618 8.341 1.00 0.00 C ATOM 496 O ASN A 31 -5.080 9.585 8.881 1.00 0.00 O ATOM 497 CB ASN A 31 -5.116 11.840 10.488 1.00 0.00 C ATOM 498 CG ASN A 31 -4.235 12.046 11.705 1.00 0.00 C ATOM 499 OD1 ASN A 31 -4.455 11.441 12.754 1.00 0.00 O ATOM 500 ND2 ASN A 31 -3.232 12.907 11.575 1.00 0.00 N ATOM 0 HA ASN A 31 -3.255 11.793 9.397 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -5.871 12.626 10.453 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.646 10.893 10.584 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.609 13.087 12.363 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.084 13.388 10.688 1.00 0.00 H new ATOM 507 N LYS A 32 -4.543 10.733 7.022 1.00 0.00 N ATOM 508 CA LYS A 32 -4.855 9.624 6.123 1.00 0.00 C ATOM 509 C LYS A 32 -3.609 9.112 5.414 1.00 0.00 C ATOM 510 O LYS A 32 -3.690 8.550 4.322 1.00 0.00 O ATOM 511 CB LYS A 32 -5.914 10.035 5.102 1.00 0.00 C ATOM 512 CG LYS A 32 -7.295 9.477 5.405 1.00 0.00 C ATOM 513 CD LYS A 32 -7.947 8.878 4.167 1.00 0.00 C ATOM 514 CE LYS A 32 -8.237 7.396 4.348 1.00 0.00 C ATOM 515 NZ LYS A 32 -8.700 6.761 3.084 1.00 0.00 N ATOM 0 H LYS A 32 -4.217 11.579 6.554 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.252 8.812 6.732 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.970 11.123 5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.604 9.699 4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.217 8.714 6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.929 10.270 5.802 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.875 9.407 3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.293 9.019 3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.337 6.891 4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.997 7.267 5.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.887 5.752 3.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.573 7.226 2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.965 6.861 2.355 1.00 0.00 H new ATOM 529 N LEU A 33 -2.463 9.305 6.046 1.00 0.00 N ATOM 530 CA LEU A 33 -1.190 8.860 5.492 1.00 0.00 C ATOM 531 C LEU A 33 -1.287 7.409 5.027 1.00 0.00 C ATOM 532 O LEU A 33 -1.134 6.482 5.822 1.00 0.00 O ATOM 533 CB LEU A 33 -0.093 9.004 6.549 1.00 0.00 C ATOM 534 CG LEU A 33 1.336 9.144 6.012 1.00 0.00 C ATOM 535 CD1 LEU A 33 2.346 8.907 7.125 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.581 8.182 4.858 1.00 0.00 C ATOM 0 H LEU A 33 -2.386 9.770 6.950 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.943 9.480 4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.318 9.877 7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.131 8.135 7.206 1.00 0.00 H new ATOM 0 HG LEU A 33 1.460 10.160 5.638 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.356 9.010 6.728 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.192 9.639 7.918 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.215 7.903 7.527 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.602 8.301 4.495 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.435 7.158 5.201 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.881 8.397 4.050 1.00 0.00 H new ATOM 548 N GLU A 34 -1.555 7.216 3.738 1.00 0.00 N ATOM 549 CA GLU A 34 -1.689 5.874 3.182 1.00 0.00 C ATOM 550 C GLU A 34 -0.564 5.556 2.203 1.00 0.00 C ATOM 551 O GLU A 34 0.330 6.368 1.975 1.00 0.00 O ATOM 552 CB GLU A 34 -3.045 5.722 2.488 1.00 0.00 C ATOM 553 CG GLU A 34 -3.782 4.449 2.870 1.00 0.00 C ATOM 554 CD GLU A 34 -5.202 4.415 2.335 1.00 0.00 C ATOM 555 OE1 GLU A 34 -5.430 4.937 1.224 1.00 0.00 O ATOM 556 OE2 GLU A 34 -6.084 3.868 3.028 1.00 0.00 O ATOM 0 H GLU A 34 -1.683 7.969 3.062 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.624 5.166 4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.669 6.581 2.734 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.895 5.736 1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.233 3.588 2.489 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.804 4.358 3.956 1.00 0.00 H new ATOM 563 N PHE A 35 -0.617 4.358 1.634 1.00 0.00 N ATOM 564 CA PHE A 35 0.396 3.913 0.681 1.00 0.00 C ATOM 565 C PHE A 35 -0.219 3.591 -0.682 1.00 0.00 C ATOM 566 O PHE A 35 -1.423 3.362 -0.796 1.00 0.00 O ATOM 567 CB PHE A 35 1.146 2.681 1.215 1.00 0.00 C ATOM 568 CG PHE A 35 0.533 2.059 2.442 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.773 1.597 2.426 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.266 1.939 3.613 1.00 0.00 C ATOM 571 CE1 PHE A 35 -1.337 1.029 3.552 1.00 0.00 C ATOM 572 CE2 PHE A 35 0.708 1.372 4.742 1.00 0.00 C ATOM 573 CZ PHE A 35 -0.596 0.916 4.711 1.00 0.00 C ATOM 0 H PHE A 35 -1.352 3.675 1.816 1.00 0.00 H new ATOM 0 HA PHE A 35 1.102 4.734 0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.192 1.930 0.427 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.173 2.967 1.443 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.358 1.682 1.522 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.286 2.293 3.643 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.357 0.674 3.525 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.290 1.285 5.648 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.035 0.472 5.592 1.00 0.00 H new ATOM 583 N PRO A 36 0.623 3.534 -1.730 1.00 0.00 N ATOM 584 CA PRO A 36 0.199 3.199 -3.094 1.00 0.00 C ATOM 585 C PRO A 36 -0.636 1.923 -3.123 1.00 0.00 C ATOM 586 O PRO A 36 -0.712 1.209 -2.123 1.00 0.00 O ATOM 587 CB PRO A 36 1.515 3.010 -3.864 1.00 0.00 C ATOM 588 CG PRO A 36 2.580 2.942 -2.820 1.00 0.00 C ATOM 589 CD PRO A 36 2.075 3.754 -1.664 1.00 0.00 C ATOM 0 HA PRO A 36 -0.434 3.973 -3.528 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.493 2.099 -4.462 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.691 3.838 -4.551 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.768 1.911 -2.521 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.522 3.342 -3.196 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.494 3.415 -0.717 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.331 4.809 -1.767 1.00 0.00 H new ATOM 597 N GLY A 37 -1.271 1.638 -4.259 1.00 0.00 N ATOM 598 CA GLY A 37 -2.093 0.445 -4.345 1.00 0.00 C ATOM 599 C GLY A 37 -3.580 0.718 -4.257 1.00 0.00 C ATOM 600 O GLY A 37 -4.279 0.222 -3.372 1.00 0.00 O ATOM 0 H GLY A 37 -1.232 2.203 -5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.882 -0.063 -5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.811 -0.238 -3.544 1.00 0.00 H new ATOM 604 N GLY A 38 -4.046 1.509 -5.196 1.00 0.00 N ATOM 605 CA GLY A 38 -5.450 1.867 -5.275 1.00 0.00 C ATOM 606 C GLY A 38 -5.961 1.848 -6.708 1.00 0.00 C ATOM 607 O GLY A 38 -5.474 2.611 -7.544 1.00 0.00 O ATOM 0 H GLY A 38 -3.467 1.923 -5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.036 1.174 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.596 2.860 -4.851 1.00 0.00 H new ATOM 611 N LYS A 39 -6.938 0.968 -6.987 1.00 0.00 N ATOM 612 CA LYS A 39 -7.537 0.822 -8.324 1.00 0.00 C ATOM 613 C LYS A 39 -7.193 -0.534 -8.939 1.00 0.00 C ATOM 614 O LYS A 39 -7.709 -0.890 -9.999 1.00 0.00 O ATOM 615 CB LYS A 39 -7.105 1.939 -9.281 1.00 0.00 C ATOM 616 CG LYS A 39 -7.852 1.924 -10.606 1.00 0.00 C ATOM 617 CD LYS A 39 -8.589 3.232 -10.851 1.00 0.00 C ATOM 618 CE LYS A 39 -9.953 3.236 -10.180 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.900 3.839 -8.819 1.00 0.00 N ATOM 0 H LYS A 39 -7.335 0.337 -6.290 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.616 0.892 -8.184 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.260 2.903 -8.796 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.036 1.848 -9.474 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.148 1.745 -11.419 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.564 1.098 -10.613 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.994 4.063 -10.473 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.709 3.388 -11.923 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.659 3.792 -10.796 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.326 2.214 -10.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.862 3.901 -8.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.312 3.246 -8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.489 4.792 -8.877 1.00 0.00 H new ATOM 633 N ILE A 40 -6.321 -1.289 -8.270 1.00 0.00 N ATOM 634 CA ILE A 40 -5.914 -2.612 -8.752 1.00 0.00 C ATOM 635 C ILE A 40 -7.107 -3.411 -9.251 1.00 0.00 C ATOM 636 O ILE A 40 -7.188 -3.772 -10.425 1.00 0.00 O ATOM 637 CB ILE A 40 -5.189 -3.427 -7.653 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.375 -4.931 -7.879 1.00 0.00 C ATOM 639 CG2 ILE A 40 -5.684 -3.029 -6.272 1.00 0.00 C ATOM 640 CD1 ILE A 40 -4.507 -5.792 -6.994 1.00 0.00 C ATOM 0 H ILE A 40 -5.882 -1.008 -7.393 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.223 -2.438 -9.577 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.124 -3.202 -7.713 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.420 -5.188 -7.708 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.157 -5.162 -8.922 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.161 -3.614 -5.515 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -5.491 -1.969 -6.108 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.755 -3.218 -6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.695 -6.843 -7.212 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.458 -5.564 -7.181 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.741 -5.591 -5.949 1.00 0.00 H new ATOM 652 N GLU A 41 -8.014 -3.678 -8.326 1.00 0.00 N ATOM 653 CA GLU A 41 -9.238 -4.441 -8.582 1.00 0.00 C ATOM 654 C GLU A 41 -9.561 -4.542 -10.072 1.00 0.00 C ATOM 655 O GLU A 41 -9.272 -5.555 -10.708 1.00 0.00 O ATOM 656 CB GLU A 41 -10.411 -3.808 -7.828 1.00 0.00 C ATOM 657 CG GLU A 41 -10.361 -2.284 -7.772 1.00 0.00 C ATOM 658 CD GLU A 41 -11.632 -1.636 -8.286 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.717 -1.953 -7.756 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.542 -0.812 -9.221 1.00 0.00 O ATOM 0 H GLU A 41 -7.925 -3.368 -7.358 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.072 -5.456 -8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.343 -4.114 -8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.429 -4.199 -6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.188 -1.968 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.514 -1.931 -8.361 1.00 0.00 H new ATOM 667 N MET A 42 -10.151 -3.486 -10.622 1.00 0.00 N ATOM 668 CA MET A 42 -10.509 -3.448 -12.041 1.00 0.00 C ATOM 669 C MET A 42 -11.135 -4.772 -12.499 1.00 0.00 C ATOM 670 O MET A 42 -12.342 -4.972 -12.364 1.00 0.00 O ATOM 671 CB MET A 42 -9.277 -3.117 -12.889 1.00 0.00 C ATOM 672 CG MET A 42 -8.942 -1.637 -12.923 1.00 0.00 C ATOM 673 SD MET A 42 -10.233 -0.649 -13.700 1.00 0.00 S ATOM 674 CE MET A 42 -9.532 0.993 -13.564 1.00 0.00 C ATOM 0 H MET A 42 -10.394 -2.640 -10.106 1.00 0.00 H new ATOM 0 HA MET A 42 -11.255 -2.665 -12.177 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.420 -3.666 -12.499 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.443 -3.467 -13.908 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.781 -1.282 -11.905 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.006 -1.493 -13.462 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.775 1.568 -14.458 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.944 1.493 -12.688 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.449 0.919 -13.464 1.00 0.00 H new ATOM 684 N GLY A 43 -10.313 -5.671 -13.045 1.00 0.00 N ATOM 685 CA GLY A 43 -10.823 -6.950 -13.511 1.00 0.00 C ATOM 686 C GLY A 43 -9.736 -7.975 -13.784 1.00 0.00 C ATOM 687 O GLY A 43 -9.970 -8.965 -14.477 1.00 0.00 O ATOM 0 H GLY A 43 -9.310 -5.536 -13.171 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.510 -7.351 -12.766 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.399 -6.792 -14.423 1.00 0.00 H new ATOM 691 N GLU A 44 -8.552 -7.740 -13.242 1.00 0.00 N ATOM 692 CA GLU A 44 -7.425 -8.650 -13.433 1.00 0.00 C ATOM 693 C GLU A 44 -7.563 -9.880 -12.533 1.00 0.00 C ATOM 694 O GLU A 44 -8.651 -10.176 -12.042 1.00 0.00 O ATOM 695 CB GLU A 44 -6.109 -7.924 -13.146 1.00 0.00 C ATOM 696 CG GLU A 44 -5.189 -7.837 -14.353 1.00 0.00 C ATOM 697 CD GLU A 44 -5.080 -6.429 -14.905 1.00 0.00 C ATOM 698 OE1 GLU A 44 -4.797 -5.503 -14.116 1.00 0.00 O ATOM 699 OE2 GLU A 44 -5.277 -6.253 -16.125 1.00 0.00 O ATOM 0 H GLU A 44 -8.342 -6.926 -12.664 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.423 -8.986 -14.470 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.329 -6.916 -12.793 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.588 -8.438 -12.338 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.197 -8.192 -14.075 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.557 -8.502 -15.134 1.00 0.00 H new ATOM 706 N THR A 45 -6.458 -10.595 -12.318 1.00 0.00 N ATOM 707 CA THR A 45 -6.473 -11.783 -11.478 1.00 0.00 C ATOM 708 C THR A 45 -5.813 -11.486 -10.136 1.00 0.00 C ATOM 709 O THR A 45 -4.969 -10.598 -10.040 1.00 0.00 O ATOM 710 CB THR A 45 -5.746 -12.938 -12.177 1.00 0.00 C ATOM 711 OG1 THR A 45 -5.394 -12.583 -13.503 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.565 -14.209 -12.247 1.00 0.00 C ATOM 0 H THR A 45 -5.546 -10.369 -12.715 1.00 0.00 H new ATOM 0 HA THR A 45 -7.509 -12.074 -11.305 1.00 0.00 H new ATOM 0 HB THR A 45 -4.861 -13.127 -11.570 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.930 -13.333 -13.930 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.991 -14.985 -12.754 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.810 -14.540 -11.238 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.485 -14.019 -12.800 1.00 0.00 H new ATOM 720 N PRO A 46 -6.176 -12.229 -9.078 1.00 0.00 N ATOM 721 CA PRO A 46 -5.604 -12.039 -7.746 1.00 0.00 C ATOM 722 C PRO A 46 -4.086 -11.857 -7.784 1.00 0.00 C ATOM 723 O PRO A 46 -3.501 -11.262 -6.880 1.00 0.00 O ATOM 724 CB PRO A 46 -5.976 -13.333 -7.000 1.00 0.00 C ATOM 725 CG PRO A 46 -6.627 -14.221 -8.013 1.00 0.00 C ATOM 726 CD PRO A 46 -7.159 -13.313 -9.080 1.00 0.00 C ATOM 0 HA PRO A 46 -5.985 -11.137 -7.268 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -5.091 -13.808 -6.577 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -6.653 -13.125 -6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.911 -14.931 -8.427 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.430 -14.804 -7.562 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.215 -13.811 -10.048 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.162 -12.954 -8.847 1.00 0.00 H new ATOM 734 N GLU A 47 -3.454 -12.382 -8.832 1.00 0.00 N ATOM 735 CA GLU A 47 -2.007 -12.282 -8.978 1.00 0.00 C ATOM 736 C GLU A 47 -1.603 -11.140 -9.914 1.00 0.00 C ATOM 737 O GLU A 47 -0.749 -10.325 -9.568 1.00 0.00 O ATOM 738 CB GLU A 47 -1.439 -13.603 -9.498 1.00 0.00 C ATOM 739 CG GLU A 47 -1.065 -14.581 -8.397 1.00 0.00 C ATOM 740 CD GLU A 47 -2.264 -15.341 -7.861 1.00 0.00 C ATOM 741 OE1 GLU A 47 -2.975 -14.791 -6.994 1.00 0.00 O ATOM 742 OE2 GLU A 47 -2.490 -16.485 -8.307 1.00 0.00 O ATOM 0 H GLU A 47 -3.922 -12.879 -9.590 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.594 -12.066 -7.993 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.173 -14.071 -10.154 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.557 -13.396 -10.103 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.331 -15.290 -8.780 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.588 -14.039 -7.580 1.00 0.00 H new ATOM 749 N GLN A 48 -2.205 -11.089 -11.101 1.00 0.00 N ATOM 750 CA GLN A 48 -1.881 -10.047 -12.073 1.00 0.00 C ATOM 751 C GLN A 48 -2.595 -8.736 -11.762 1.00 0.00 C ATOM 752 O GLN A 48 -2.369 -7.727 -12.429 1.00 0.00 O ATOM 753 CB GLN A 48 -2.239 -10.511 -13.485 1.00 0.00 C ATOM 754 CG GLN A 48 -1.193 -11.419 -14.112 1.00 0.00 C ATOM 755 CD GLN A 48 0.011 -10.655 -14.625 1.00 0.00 C ATOM 756 OE1 GLN A 48 0.124 -9.445 -14.425 1.00 0.00 O ATOM 757 NE2 GLN A 48 0.918 -11.358 -15.292 1.00 0.00 N ATOM 0 H GLN A 48 -2.915 -11.752 -11.411 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.808 -9.865 -12.010 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.193 -11.037 -13.454 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.377 -9.637 -14.121 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.866 -12.153 -13.375 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.645 -11.973 -14.935 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.784 -12.359 -15.434 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.749 -10.897 -15.662 1.00 0.00 H new ATOM 766 N ALA A 49 -3.459 -8.751 -10.755 1.00 0.00 N ATOM 767 CA ALA A 49 -4.200 -7.559 -10.378 1.00 0.00 C ATOM 768 C ALA A 49 -3.260 -6.481 -9.850 1.00 0.00 C ATOM 769 O ALA A 49 -3.213 -5.374 -10.386 1.00 0.00 O ATOM 770 CB ALA A 49 -5.266 -7.910 -9.353 1.00 0.00 C ATOM 0 H ALA A 49 -3.662 -9.574 -10.187 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.694 -7.159 -11.263 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.816 -7.010 -9.077 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.955 -8.639 -9.779 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.793 -8.333 -8.466 1.00 0.00 H new ATOM 776 N VAL A 50 -2.502 -6.808 -8.808 1.00 0.00 N ATOM 777 CA VAL A 50 -1.558 -5.850 -8.239 1.00 0.00 C ATOM 778 C VAL A 50 -0.291 -5.764 -9.082 1.00 0.00 C ATOM 779 O VAL A 50 0.222 -4.678 -9.326 1.00 0.00 O ATOM 780 CB VAL A 50 -1.169 -6.173 -6.776 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.061 -7.669 -6.542 1.00 0.00 C ATOM 782 CG2 VAL A 50 0.136 -5.477 -6.412 1.00 0.00 C ATOM 0 H VAL A 50 -2.521 -7.717 -8.345 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.076 -4.891 -8.242 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.962 -5.798 -6.129 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.786 -7.856 -5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.021 -8.141 -6.754 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.298 -8.086 -7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.398 -5.712 -5.381 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.929 -5.821 -7.076 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.016 -4.399 -6.519 1.00 0.00 H new ATOM 792 N VAL A 51 0.220 -6.913 -9.513 1.00 0.00 N ATOM 793 CA VAL A 51 1.439 -6.944 -10.313 1.00 0.00 C ATOM 794 C VAL A 51 1.339 -5.977 -11.485 1.00 0.00 C ATOM 795 O VAL A 51 2.320 -5.335 -11.858 1.00 0.00 O ATOM 796 CB VAL A 51 1.738 -8.363 -10.841 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.033 -8.379 -11.643 1.00 0.00 C ATOM 798 CG2 VAL A 51 1.809 -9.357 -9.691 1.00 0.00 C ATOM 0 H VAL A 51 -0.188 -7.829 -9.323 1.00 0.00 H new ATOM 0 HA VAL A 51 2.258 -6.640 -9.661 1.00 0.00 H new ATOM 0 HB VAL A 51 0.924 -8.659 -11.503 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.224 -9.389 -12.005 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.944 -7.700 -12.491 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.859 -8.059 -11.007 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.021 -10.352 -10.083 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.601 -9.062 -9.003 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.856 -9.370 -9.162 1.00 0.00 H new ATOM 808 N ARG A 52 0.146 -5.868 -12.052 1.00 0.00 N ATOM 809 CA ARG A 52 -0.076 -4.967 -13.169 1.00 0.00 C ATOM 810 C ARG A 52 -0.220 -3.530 -12.683 1.00 0.00 C ATOM 811 O ARG A 52 0.414 -2.617 -13.212 1.00 0.00 O ATOM 812 CB ARG A 52 -1.319 -5.385 -13.958 1.00 0.00 C ATOM 813 CG ARG A 52 -1.328 -4.876 -15.391 1.00 0.00 C ATOM 814 CD ARG A 52 -2.660 -4.236 -15.750 1.00 0.00 C ATOM 815 NE ARG A 52 -2.535 -3.301 -16.865 1.00 0.00 N ATOM 816 CZ ARG A 52 -3.529 -2.528 -17.298 1.00 0.00 C ATOM 817 NH1 ARG A 52 -4.720 -2.577 -16.715 1.00 0.00 N ATOM 818 NH2 ARG A 52 -3.332 -1.703 -18.319 1.00 0.00 N ATOM 0 H ARG A 52 -0.679 -6.391 -11.757 1.00 0.00 H new ATOM 0 HA ARG A 52 0.791 -5.024 -13.827 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.385 -6.473 -13.967 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.207 -5.016 -13.444 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.527 -4.149 -15.524 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.125 -5.702 -16.072 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.378 -5.014 -16.008 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.057 -3.712 -14.880 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.634 -3.236 -17.339 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.878 -3.209 -15.930 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.477 -1.982 -17.051 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.419 -1.661 -18.772 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.094 -1.111 -18.651 1.00 0.00 H new ATOM 832 N GLU A 53 -1.056 -3.338 -11.669 1.00 0.00 N ATOM 833 CA GLU A 53 -1.284 -2.016 -11.105 1.00 0.00 C ATOM 834 C GLU A 53 -0.028 -1.492 -10.411 1.00 0.00 C ATOM 835 O GLU A 53 0.114 -0.288 -10.195 1.00 0.00 O ATOM 836 CB GLU A 53 -2.449 -2.059 -10.115 1.00 0.00 C ATOM 837 CG GLU A 53 -3.110 -0.708 -9.893 1.00 0.00 C ATOM 838 CD GLU A 53 -4.073 -0.335 -11.003 1.00 0.00 C ATOM 839 OE1 GLU A 53 -4.192 -1.111 -11.975 1.00 0.00 O ATOM 840 OE2 GLU A 53 -4.709 0.735 -10.901 1.00 0.00 O ATOM 0 H GLU A 53 -1.588 -4.084 -11.221 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.532 -1.338 -11.921 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.197 -2.765 -10.477 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.089 -2.439 -9.159 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.645 -0.722 -8.944 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.340 0.059 -9.813 1.00 0.00 H new ATOM 847 N LEU A 54 0.880 -2.401 -10.061 1.00 0.00 N ATOM 848 CA LEU A 54 2.119 -2.024 -9.393 1.00 0.00 C ATOM 849 C LEU A 54 2.895 -1.026 -10.236 1.00 0.00 C ATOM 850 O LEU A 54 3.381 -0.014 -9.731 1.00 0.00 O ATOM 851 CB LEU A 54 2.976 -3.260 -9.123 1.00 0.00 C ATOM 852 CG LEU A 54 3.539 -3.354 -7.707 1.00 0.00 C ATOM 853 CD1 LEU A 54 2.422 -3.245 -6.679 1.00 0.00 C ATOM 854 CD2 LEU A 54 4.314 -4.649 -7.532 1.00 0.00 C ATOM 0 H LEU A 54 0.779 -3.402 -10.230 1.00 0.00 H new ATOM 0 HA LEU A 54 1.867 -1.557 -8.441 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.378 -4.149 -9.320 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.806 -3.271 -9.830 1.00 0.00 H new ATOM 0 HG LEU A 54 4.225 -2.522 -7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.843 -3.314 -5.676 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.914 -2.288 -6.794 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.708 -4.055 -6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.710 -4.702 -6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.651 -5.496 -7.708 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.138 -4.679 -8.245 1.00 0.00 H new ATOM 866 N GLN A 55 2.985 -1.303 -11.531 1.00 0.00 N ATOM 867 CA GLN A 55 3.676 -0.409 -12.446 1.00 0.00 C ATOM 868 C GLN A 55 2.949 0.929 -12.484 1.00 0.00 C ATOM 869 O GLN A 55 3.561 1.984 -12.650 1.00 0.00 O ATOM 870 CB GLN A 55 3.741 -1.023 -13.847 1.00 0.00 C ATOM 871 CG GLN A 55 5.154 -1.345 -14.305 1.00 0.00 C ATOM 872 CD GLN A 55 5.876 -2.280 -13.354 1.00 0.00 C ATOM 873 OE1 GLN A 55 7.016 -2.030 -12.963 1.00 0.00 O ATOM 874 NE2 GLN A 55 5.212 -3.366 -12.976 1.00 0.00 N ATOM 0 H GLN A 55 2.590 -2.136 -11.968 1.00 0.00 H new ATOM 0 HA GLN A 55 4.697 -0.255 -12.097 1.00 0.00 H new ATOM 0 HB2 GLN A 55 3.146 -1.936 -13.862 1.00 0.00 H new ATOM 0 HB3 GLN A 55 3.286 -0.334 -14.558 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.117 -1.798 -15.296 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.721 -0.419 -14.399 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.268 -3.534 -13.325 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.646 -4.032 -12.337 1.00 0.00 H new ATOM 883 N GLU A 56 1.631 0.866 -12.313 1.00 0.00 N ATOM 884 CA GLU A 56 0.794 2.056 -12.307 1.00 0.00 C ATOM 885 C GLU A 56 0.905 2.791 -10.981 1.00 0.00 C ATOM 886 O GLU A 56 0.663 3.994 -10.912 1.00 0.00 O ATOM 887 CB GLU A 56 -0.665 1.676 -12.544 1.00 0.00 C ATOM 888 CG GLU A 56 -1.499 2.792 -13.150 1.00 0.00 C ATOM 889 CD GLU A 56 -2.337 3.521 -12.116 1.00 0.00 C ATOM 890 OE1 GLU A 56 -2.657 2.912 -11.071 1.00 0.00 O ATOM 891 OE2 GLU A 56 -2.673 4.701 -12.350 1.00 0.00 O ATOM 0 H GLU A 56 1.119 -0.006 -12.176 1.00 0.00 H new ATOM 0 HA GLU A 56 1.139 2.711 -13.107 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.702 0.808 -13.203 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.111 1.376 -11.596 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.840 3.505 -13.646 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.154 2.376 -13.916 1.00 0.00 H new ATOM 898 N GLU A 57 1.250 2.061 -9.924 1.00 0.00 N ATOM 899 CA GLU A 57 1.362 2.663 -8.604 1.00 0.00 C ATOM 900 C GLU A 57 2.818 2.781 -8.151 1.00 0.00 C ATOM 901 O GLU A 57 3.091 3.195 -7.024 1.00 0.00 O ATOM 902 CB GLU A 57 0.555 1.858 -7.587 1.00 0.00 C ATOM 903 CG GLU A 57 -0.942 2.110 -7.678 1.00 0.00 C ATOM 904 CD GLU A 57 -1.763 0.840 -7.567 1.00 0.00 C ATOM 905 OE1 GLU A 57 -1.167 -0.241 -7.378 1.00 0.00 O ATOM 906 OE2 GLU A 57 -3.005 0.929 -7.667 1.00 0.00 O ATOM 0 H GLU A 57 1.454 1.062 -9.957 1.00 0.00 H new ATOM 0 HA GLU A 57 0.957 3.673 -8.668 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.748 0.796 -7.738 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.898 2.105 -6.582 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.238 2.798 -6.886 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.166 2.599 -8.626 1.00 0.00 H new ATOM 913 N VAL A 58 3.748 2.437 -9.036 1.00 0.00 N ATOM 914 CA VAL A 58 5.169 2.532 -8.728 1.00 0.00 C ATOM 915 C VAL A 58 5.907 3.178 -9.885 1.00 0.00 C ATOM 916 O VAL A 58 6.745 4.060 -9.693 1.00 0.00 O ATOM 917 CB VAL A 58 5.791 1.149 -8.444 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.231 1.296 -7.979 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.975 0.391 -7.412 1.00 0.00 C ATOM 0 H VAL A 58 3.542 2.090 -9.973 1.00 0.00 H new ATOM 0 HA VAL A 58 5.266 3.141 -7.829 1.00 0.00 H new ATOM 0 HB VAL A 58 5.783 0.577 -9.372 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.653 0.310 -7.784 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.815 1.793 -8.754 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.260 1.890 -7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.433 -0.581 -7.228 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.945 0.960 -6.483 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.960 0.249 -7.783 1.00 0.00 H new ATOM 929 N GLY A 59 5.570 2.739 -11.095 1.00 0.00 N ATOM 930 CA GLY A 59 6.180 3.278 -12.292 1.00 0.00 C ATOM 931 C GLY A 59 7.641 2.920 -12.444 1.00 0.00 C ATOM 932 O GLY A 59 8.103 2.600 -13.539 1.00 0.00 O ATOM 0 H GLY A 59 4.876 2.011 -11.265 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.634 2.915 -13.163 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.080 4.363 -12.283 1.00 0.00 H new ATOM 936 N ILE A 60 8.363 2.982 -11.348 1.00 0.00 N ATOM 937 CA ILE A 60 9.781 2.673 -11.340 1.00 0.00 C ATOM 938 C ILE A 60 10.014 1.172 -11.368 1.00 0.00 C ATOM 939 O ILE A 60 9.069 0.385 -11.434 1.00 0.00 O ATOM 940 CB ILE A 60 10.511 3.255 -10.106 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.560 3.522 -8.939 1.00 0.00 C ATOM 942 CG2 ILE A 60 11.264 4.522 -10.477 1.00 0.00 C ATOM 943 CD1 ILE A 60 10.232 3.390 -7.588 1.00 0.00 C ATOM 0 H ILE A 60 7.988 3.247 -10.437 1.00 0.00 H new ATOM 0 HA ILE A 60 10.190 3.136 -12.238 1.00 0.00 H new ATOM 0 HB ILE A 60 11.225 2.501 -9.774 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.146 4.526 -9.037 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.723 2.826 -8.992 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.770 4.916 -9.596 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.001 4.295 -11.248 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.562 5.265 -10.854 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.507 3.591 -6.800 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.622 2.379 -7.473 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.052 4.105 -7.518 1.00 0.00 H new ATOM 955 N THR A 61 11.281 0.786 -11.315 1.00 0.00 N ATOM 956 CA THR A 61 11.661 -0.604 -11.327 1.00 0.00 C ATOM 957 C THR A 61 12.304 -0.979 -9.998 1.00 0.00 C ATOM 958 O THR A 61 13.519 -0.858 -9.834 1.00 0.00 O ATOM 959 CB THR A 61 12.652 -0.818 -12.458 1.00 0.00 C ATOM 960 OG1 THR A 61 13.405 0.362 -12.688 1.00 0.00 O ATOM 961 CG2 THR A 61 11.995 -1.201 -13.764 1.00 0.00 C ATOM 0 H THR A 61 12.068 1.433 -11.263 1.00 0.00 H new ATOM 0 HA THR A 61 10.781 -1.230 -11.475 1.00 0.00 H new ATOM 0 HB THR A 61 13.289 -1.642 -12.135 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.040 0.208 -13.418 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.759 -1.339 -14.529 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.441 -2.130 -13.634 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.311 -0.411 -14.073 1.00 0.00 H new ATOM 969 N PRO A 62 11.497 -1.396 -9.013 1.00 0.00 N ATOM 970 CA PRO A 62 11.968 -1.739 -7.690 1.00 0.00 C ATOM 971 C PRO A 62 11.901 -3.223 -7.386 1.00 0.00 C ATOM 972 O PRO A 62 10.995 -3.917 -7.850 1.00 0.00 O ATOM 973 CB PRO A 62 10.913 -1.022 -6.863 1.00 0.00 C ATOM 974 CG PRO A 62 9.640 -1.283 -7.612 1.00 0.00 C ATOM 975 CD PRO A 62 10.032 -1.515 -9.057 1.00 0.00 C ATOM 0 HA PRO A 62 13.012 -1.474 -7.523 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.867 -1.412 -5.846 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.121 0.045 -6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.122 -2.152 -7.206 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.958 -0.437 -7.526 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.715 -2.496 -9.411 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.585 -0.776 -9.722 1.00 0.00 H new ATOM 983 N GLN A 63 12.809 -3.700 -6.543 1.00 0.00 N ATOM 984 CA GLN A 63 12.763 -5.076 -6.133 1.00 0.00 C ATOM 985 C GLN A 63 11.643 -5.146 -5.101 1.00 0.00 C ATOM 986 O GLN A 63 11.850 -5.055 -3.891 1.00 0.00 O ATOM 987 CB GLN A 63 14.142 -5.519 -5.602 1.00 0.00 C ATOM 988 CG GLN A 63 14.225 -5.757 -4.106 1.00 0.00 C ATOM 989 CD GLN A 63 15.431 -6.586 -3.712 1.00 0.00 C ATOM 990 OE1 GLN A 63 15.526 -7.765 -4.053 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.361 -5.974 -2.989 1.00 0.00 N ATOM 0 H GLN A 63 13.571 -3.154 -6.141 1.00 0.00 H new ATOM 0 HA GLN A 63 12.551 -5.768 -6.948 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.430 -6.437 -6.114 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.876 -4.760 -5.872 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.265 -4.797 -3.591 1.00 0.00 H new ATOM 0 HG3 GLN A 63 13.318 -6.261 -3.771 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.242 -4.995 -2.728 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.195 -6.483 -2.694 1.00 0.00 H new ATOM 1000 N HIS A 64 10.432 -5.212 -5.625 1.00 0.00 N ATOM 1001 CA HIS A 64 9.231 -5.201 -4.813 1.00 0.00 C ATOM 1002 C HIS A 64 8.401 -6.442 -5.084 1.00 0.00 C ATOM 1003 O HIS A 64 8.114 -6.764 -6.237 1.00 0.00 O ATOM 1004 CB HIS A 64 8.453 -3.927 -5.157 1.00 0.00 C ATOM 1005 CG HIS A 64 6.983 -3.977 -4.853 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.435 -4.806 -3.900 1.00 0.00 N ATOM 1007 CD2 HIS A 64 5.948 -3.282 -5.379 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.129 -4.622 -3.855 1.00 0.00 C ATOM 1009 NE2 HIS A 64 4.806 -3.700 -4.741 1.00 0.00 N ATOM 0 H HIS A 64 10.255 -5.275 -6.628 1.00 0.00 H new ATOM 0 HA HIS A 64 9.480 -5.208 -3.752 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.893 -3.093 -4.611 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.582 -3.717 -6.219 1.00 0.00 H new ATOM 0 HD1 HIS A 64 6.958 -5.461 -3.319 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.009 -2.536 -6.157 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.441 -5.139 -3.203 1.00 0.00 H new ATOM 1018 N PHE A 65 8.034 -7.154 -4.024 1.00 0.00 N ATOM 1019 CA PHE A 65 7.262 -8.373 -4.184 1.00 0.00 C ATOM 1020 C PHE A 65 6.934 -9.025 -2.844 1.00 0.00 C ATOM 1021 O PHE A 65 7.492 -8.665 -1.813 1.00 0.00 O ATOM 1022 CB PHE A 65 8.075 -9.343 -5.020 1.00 0.00 C ATOM 1023 CG PHE A 65 7.245 -10.291 -5.837 1.00 0.00 C ATOM 1024 CD1 PHE A 65 6.255 -9.811 -6.680 1.00 0.00 C ATOM 1025 CD2 PHE A 65 7.454 -11.659 -5.766 1.00 0.00 C ATOM 1026 CE1 PHE A 65 5.489 -10.676 -7.437 1.00 0.00 C ATOM 1027 CE2 PHE A 65 6.691 -12.530 -6.522 1.00 0.00 C ATOM 1028 CZ PHE A 65 5.707 -12.038 -7.358 1.00 0.00 C ATOM 0 H PHE A 65 8.256 -6.910 -3.059 1.00 0.00 H new ATOM 0 HA PHE A 65 6.318 -8.122 -4.668 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.723 -8.776 -5.688 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.723 -9.920 -4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.080 -8.747 -6.746 1.00 0.00 H new ATOM 0 HD2 PHE A 65 8.221 -12.049 -5.113 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.721 -10.288 -8.090 1.00 0.00 H new ATOM 0 HE2 PHE A 65 6.864 -13.594 -6.459 1.00 0.00 H new ATOM 0 HZ PHE A 65 5.109 -12.717 -7.948 1.00 0.00 H new ATOM 1038 N SER A 66 6.037 -10.007 -2.879 1.00 0.00 N ATOM 1039 CA SER A 66 5.636 -10.744 -1.679 1.00 0.00 C ATOM 1040 C SER A 66 4.666 -9.934 -0.825 1.00 0.00 C ATOM 1041 O SER A 66 4.125 -8.924 -1.271 1.00 0.00 O ATOM 1042 CB SER A 66 6.865 -11.133 -0.850 1.00 0.00 C ATOM 1043 OG SER A 66 6.721 -12.433 -0.305 1.00 0.00 O ATOM 0 H SER A 66 5.569 -10.314 -3.732 1.00 0.00 H new ATOM 0 HA SER A 66 5.126 -11.650 -2.005 1.00 0.00 H new ATOM 0 HB2 SER A 66 7.757 -11.094 -1.476 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.008 -10.412 -0.045 1.00 0.00 H new ATOM 0 HG SER A 66 7.518 -12.659 0.218 1.00 0.00 H new ATOM 1049 N LEU A 67 4.451 -10.390 0.407 1.00 0.00 N ATOM 1050 CA LEU A 67 3.543 -9.715 1.330 1.00 0.00 C ATOM 1051 C LEU A 67 3.957 -9.952 2.776 1.00 0.00 C ATOM 1052 O LEU A 67 4.233 -11.084 3.173 1.00 0.00 O ATOM 1053 CB LEU A 67 2.110 -10.203 1.114 1.00 0.00 C ATOM 1054 CG LEU A 67 1.957 -11.718 0.967 1.00 0.00 C ATOM 1055 CD1 LEU A 67 0.601 -12.171 1.485 1.00 0.00 C ATOM 1056 CD2 LEU A 67 2.142 -12.133 -0.484 1.00 0.00 C ATOM 0 H LEU A 67 4.894 -11.225 0.789 1.00 0.00 H new ATOM 0 HA LEU A 67 3.593 -8.645 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.499 -9.871 1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.710 -9.724 0.220 1.00 0.00 H new ATOM 0 HG LEU A 67 2.730 -12.202 1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.511 -13.251 1.372 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.507 -11.907 2.538 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.188 -11.680 0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.030 -13.214 -0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.392 -11.640 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.137 -11.843 -0.821 1.00 0.00 H new ATOM 1068 N PHE A 68 3.985 -8.881 3.568 1.00 0.00 N ATOM 1069 CA PHE A 68 4.353 -8.999 4.970 1.00 0.00 C ATOM 1070 C PHE A 68 3.180 -9.579 5.757 1.00 0.00 C ATOM 1071 O PHE A 68 3.351 -10.456 6.605 1.00 0.00 O ATOM 1072 CB PHE A 68 4.790 -7.643 5.542 1.00 0.00 C ATOM 1073 CG PHE A 68 3.673 -6.663 5.774 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.864 -6.766 6.893 1.00 0.00 C ATOM 1075 CD2 PHE A 68 3.448 -5.626 4.883 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.847 -5.857 7.118 1.00 0.00 C ATOM 1077 CE2 PHE A 68 2.437 -4.711 5.105 1.00 0.00 C ATOM 1078 CZ PHE A 68 1.635 -4.828 6.224 1.00 0.00 C ATOM 0 H PHE A 68 3.759 -7.934 3.263 1.00 0.00 H new ATOM 0 HA PHE A 68 5.204 -9.674 5.058 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.306 -7.813 6.487 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.512 -7.194 4.860 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.030 -7.566 7.599 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.070 -5.532 4.005 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.220 -5.952 7.992 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.274 -3.905 4.405 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.843 -4.115 6.399 1.00 0.00 H new ATOM 1088 N GLU A 69 1.985 -9.098 5.431 1.00 0.00 N ATOM 1089 CA GLU A 69 0.746 -9.564 6.051 1.00 0.00 C ATOM 1090 C GLU A 69 -0.440 -8.963 5.307 1.00 0.00 C ATOM 1091 O GLU A 69 -0.463 -7.765 5.049 1.00 0.00 O ATOM 1092 CB GLU A 69 0.686 -9.183 7.533 1.00 0.00 C ATOM 1093 CG GLU A 69 1.361 -10.194 8.447 1.00 0.00 C ATOM 1094 CD GLU A 69 0.569 -10.460 9.713 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -0.439 -9.758 9.943 1.00 0.00 O ATOM 1096 OE2 GLU A 69 0.957 -11.371 10.475 1.00 0.00 O ATOM 0 H GLU A 69 1.846 -8.372 4.728 1.00 0.00 H new ATOM 0 HA GLU A 69 0.712 -10.652 5.988 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.158 -8.210 7.669 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.357 -9.076 7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.499 -11.130 7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.353 -9.830 8.714 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.416 -9.792 4.950 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.583 -9.310 4.216 1.00 0.00 C ATOM 1105 C LYS A 70 -3.884 -9.828 4.824 1.00 0.00 C ATOM 1106 O LYS A 70 -4.019 -11.021 5.101 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.494 -9.734 2.749 1.00 0.00 C ATOM 1108 CG LYS A 70 -2.546 -11.241 2.547 1.00 0.00 C ATOM 1109 CD LYS A 70 -3.942 -11.703 2.161 1.00 0.00 C ATOM 1110 CE LYS A 70 -3.961 -13.181 1.806 1.00 0.00 C ATOM 1111 NZ LYS A 70 -3.904 -13.400 0.334 1.00 0.00 N ATOM 0 H LYS A 70 -1.424 -10.791 5.154 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.589 -8.222 4.283 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.312 -9.273 2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.566 -9.351 2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.838 -11.530 1.770 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.236 -11.743 3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.629 -11.517 2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.298 -11.119 1.312 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.115 -13.679 2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.866 -13.639 2.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.919 -14.420 0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.725 -12.947 -0.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.029 -12.986 -0.045 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.844 -8.926 5.020 1.00 0.00 N ATOM 1126 CA LEU A 71 -6.137 -9.295 5.585 1.00 0.00 C ATOM 1127 C LEU A 71 -7.247 -9.147 4.543 1.00 0.00 C ATOM 1128 O LEU A 71 -7.112 -8.389 3.583 1.00 0.00 O ATOM 1129 CB LEU A 71 -6.443 -8.446 6.832 1.00 0.00 C ATOM 1130 CG LEU A 71 -7.272 -7.175 6.599 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -7.937 -6.730 7.893 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -6.401 -6.060 6.035 1.00 0.00 C ATOM 0 H LEU A 71 -4.749 -7.936 4.796 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.093 -10.342 5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.970 -9.072 7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.497 -8.159 7.292 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.050 -7.402 5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.521 -5.828 7.711 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.594 -7.521 8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.173 -6.522 8.642 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.008 -5.169 5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.599 -5.833 6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.971 -6.379 5.085 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.340 -9.875 4.741 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.471 -9.827 3.824 1.00 0.00 C ATOM 1146 C GLU A 72 -10.787 -9.781 4.600 1.00 0.00 C ATOM 1147 O GLU A 72 -11.185 -10.765 5.224 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.437 -11.044 2.890 1.00 0.00 C ATOM 1149 CG GLU A 72 -10.789 -11.411 2.301 1.00 0.00 C ATOM 1150 CD GLU A 72 -10.681 -12.426 1.180 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -10.005 -13.458 1.377 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -11.274 -12.190 0.107 1.00 0.00 O ATOM 0 H GLU A 72 -8.466 -10.507 5.531 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.400 -8.921 3.222 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.740 -10.845 2.076 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.048 -11.900 3.440 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.427 -11.812 3.088 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.274 -10.510 1.925 1.00 0.00 H new ATOM 1159 N TYR A 73 -11.457 -8.634 4.553 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.728 -8.462 5.250 1.00 0.00 C ATOM 1161 C TYR A 73 -13.792 -7.911 4.306 1.00 0.00 C ATOM 1162 O TYR A 73 -13.476 -7.227 3.332 1.00 0.00 O ATOM 1163 CB TYR A 73 -12.555 -7.526 6.448 1.00 0.00 C ATOM 1164 CG TYR A 73 -12.184 -6.110 6.065 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -10.947 -5.824 5.503 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -13.073 -5.062 6.265 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -10.604 -4.532 5.153 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -12.740 -3.767 5.916 1.00 0.00 C ATOM 1169 CZ TYR A 73 -11.504 -3.508 5.361 1.00 0.00 C ATOM 1170 OH TYR A 73 -11.168 -2.220 5.013 1.00 0.00 O ATOM 0 H TYR A 73 -11.142 -7.810 4.040 1.00 0.00 H new ATOM 0 HA TYR A 73 -13.055 -9.438 5.608 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -13.483 -7.507 7.020 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.784 -7.929 7.105 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -10.241 -6.624 5.337 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -14.041 -5.262 6.701 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.637 -4.325 4.719 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -13.443 -2.963 6.077 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.913 -1.619 5.224 1.00 0.00 H new ATOM 1180 N GLU A 74 -15.053 -8.211 4.598 1.00 0.00 N ATOM 1181 CA GLU A 74 -16.159 -7.740 3.770 1.00 0.00 C ATOM 1182 C GLU A 74 -17.134 -6.895 4.581 1.00 0.00 C ATOM 1183 O GLU A 74 -17.732 -7.367 5.547 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.897 -8.920 3.133 1.00 0.00 C ATOM 1185 CG GLU A 74 -17.257 -10.021 4.117 1.00 0.00 C ATOM 1186 CD GLU A 74 -17.467 -11.361 3.440 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -16.584 -11.778 2.662 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -18.516 -11.993 3.689 1.00 0.00 O ATOM 0 H GLU A 74 -15.335 -8.776 5.399 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.738 -7.117 2.981 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.809 -8.554 2.661 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -16.276 -9.341 2.342 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -16.464 -10.113 4.859 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -18.165 -9.742 4.653 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.290 -5.643 4.170 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.190 -4.718 4.832 1.00 0.00 C ATOM 1197 C PHE A 75 -19.643 -5.058 4.505 1.00 0.00 C ATOM 1198 O PHE A 75 -19.913 -5.787 3.552 1.00 0.00 O ATOM 1199 CB PHE A 75 -17.870 -3.288 4.397 1.00 0.00 C ATOM 1200 CG PHE A 75 -16.984 -2.538 5.356 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -17.141 -2.670 6.728 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -15.991 -1.695 4.880 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -16.324 -1.978 7.604 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -15.173 -1.001 5.751 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.340 -1.143 7.114 1.00 0.00 C ATOM 0 H PHE A 75 -16.797 -5.245 3.371 1.00 0.00 H new ATOM 0 HA PHE A 75 -18.053 -4.803 5.910 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.388 -3.316 3.420 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -18.804 -2.739 4.276 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -17.910 -3.321 7.117 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -15.855 -1.579 3.815 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -16.456 -2.091 8.670 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -14.404 -0.348 5.366 1.00 0.00 H new ATOM 0 HZ PHE A 75 -14.701 -0.601 7.796 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.600 -4.536 5.294 1.00 0.00 N ATOM 1216 CA PRO A 76 -22.028 -4.786 5.085 1.00 0.00 C ATOM 1217 C PRO A 76 -22.467 -4.448 3.666 1.00 0.00 C ATOM 1218 O PRO A 76 -22.990 -3.364 3.405 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.724 -3.866 6.099 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.669 -2.923 6.574 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.365 -3.655 6.439 1.00 0.00 C ATOM 0 HA PRO A 76 -22.276 -5.839 5.222 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.552 -3.328 5.637 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.140 -4.439 6.928 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.666 -2.009 5.979 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -21.846 -2.629 7.609 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.535 -2.972 6.259 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.124 -4.219 7.340 1.00 0.00 H new ATOM 1229 N ASP A 77 -22.238 -5.394 2.757 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.590 -5.245 1.340 1.00 0.00 C ATOM 1231 C ASP A 77 -21.425 -4.671 0.534 1.00 0.00 C ATOM 1232 O ASP A 77 -21.592 -4.294 -0.625 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.832 -4.363 1.162 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.610 -4.707 -0.093 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -24.095 -4.447 -1.201 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -25.734 -5.237 0.033 1.00 0.00 O ATOM 0 H ASP A 77 -21.802 -6.289 2.980 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.816 -6.242 0.962 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.481 -4.475 2.031 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -23.529 -3.317 1.123 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.245 -4.614 1.147 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.059 -4.094 0.476 1.00 0.00 C ATOM 1243 C ARG A 78 -17.843 -4.966 0.770 1.00 0.00 C ATOM 1244 O ARG A 78 -17.160 -4.774 1.774 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.788 -2.654 0.914 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.660 -1.987 0.144 1.00 0.00 C ATOM 1247 CD ARG A 78 -16.746 -1.195 1.066 1.00 0.00 C ATOM 1248 NE ARG A 78 -16.176 -0.026 0.401 1.00 0.00 N ATOM 1249 CZ ARG A 78 -15.100 0.625 0.839 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -14.476 0.224 1.940 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -14.648 1.680 0.175 1.00 0.00 N ATOM 0 H ARG A 78 -20.086 -4.922 2.106 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.244 -4.109 -0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.698 -2.068 0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.546 -2.646 1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -17.079 -2.745 -0.382 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.078 -1.323 -0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -17.307 -0.875 1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -15.941 -1.839 1.419 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.629 0.311 -0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.820 -0.586 2.455 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.652 0.726 2.271 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.124 1.993 -0.671 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.824 2.179 0.510 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.574 -5.922 -0.113 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.437 -6.820 0.059 1.00 0.00 C ATOM 1267 C HIS A 79 -15.135 -6.124 -0.319 1.00 0.00 C ATOM 1268 O HIS A 79 -14.828 -5.960 -1.500 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.621 -8.079 -0.791 1.00 0.00 C ATOM 1270 CG HIS A 79 -17.988 -8.681 -0.680 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -18.898 -8.310 0.288 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -18.600 -9.634 -1.424 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -20.009 -9.009 0.136 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -19.854 -9.818 -0.896 1.00 0.00 N ATOM 0 H HIS A 79 -18.126 -6.095 -0.953 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.385 -7.104 1.110 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -16.424 -7.835 -1.835 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -15.881 -8.821 -0.492 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -18.180 -10.152 -2.273 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -20.893 -8.932 0.751 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -20.553 -10.474 -1.245 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.372 -5.715 0.689 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.109 -5.036 0.461 1.00 0.00 C ATOM 1285 C ILE A 80 -11.929 -5.957 0.766 1.00 0.00 C ATOM 1286 O ILE A 80 -11.679 -6.302 1.920 1.00 0.00 O ATOM 1287 CB ILE A 80 -13.002 -3.759 1.323 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.577 -3.213 1.298 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.438 -4.040 2.753 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -11.505 -1.701 1.280 1.00 0.00 C ATOM 0 H ILE A 80 -14.610 -5.844 1.672 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.077 -4.756 -0.592 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.668 -3.006 0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.040 -3.583 2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.063 -3.603 0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.355 -3.128 3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.473 -4.383 2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.799 -4.811 3.184 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.461 -1.387 1.263 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -12.013 -1.323 0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.989 -1.303 2.172 1.00 0.00 H new ATOM 1302 N THR A 81 -11.198 -6.336 -0.276 1.00 0.00 N ATOM 1303 CA THR A 81 -10.037 -7.200 -0.120 1.00 0.00 C ATOM 1304 C THR A 81 -8.776 -6.353 -0.006 1.00 0.00 C ATOM 1305 O THR A 81 -8.437 -5.608 -0.926 1.00 0.00 O ATOM 1306 CB THR A 81 -9.927 -8.152 -1.314 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.781 -7.739 -2.366 1.00 0.00 O ATOM 1308 CG2 THR A 81 -10.280 -9.582 -0.977 1.00 0.00 C ATOM 0 H THR A 81 -11.390 -6.058 -1.238 1.00 0.00 H new ATOM 0 HA THR A 81 -10.151 -7.791 0.789 1.00 0.00 H new ATOM 0 HB THR A 81 -8.880 -8.114 -1.614 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.073 -8.523 -2.877 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.181 -10.201 -1.869 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.607 -9.950 -0.203 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.308 -9.628 -0.616 1.00 0.00 H new ATOM 1316 N LEU A 82 -8.085 -6.457 1.122 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.872 -5.677 1.333 1.00 0.00 C ATOM 1318 C LEU A 82 -5.625 -6.547 1.254 1.00 0.00 C ATOM 1319 O LEU A 82 -5.402 -7.414 2.098 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.929 -4.974 2.690 1.00 0.00 C ATOM 1321 CG LEU A 82 -7.484 -3.550 2.660 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -7.624 -3.004 4.073 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -6.592 -2.647 1.821 1.00 0.00 C ATOM 0 H LEU A 82 -8.340 -7.068 1.898 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.814 -4.933 0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.541 -5.572 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.924 -4.947 3.110 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.473 -3.574 2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.020 -1.989 4.033 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.304 -3.637 4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.648 -2.993 4.557 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.003 -1.637 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.590 -2.627 2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.544 -3.029 0.801 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.807 -6.299 0.237 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.572 -7.046 0.049 1.00 0.00 C ATOM 1337 C TRP A 83 -2.374 -6.164 0.362 1.00 0.00 C ATOM 1338 O TRP A 83 -2.194 -5.109 -0.240 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.466 -7.567 -1.387 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.529 -8.556 -1.742 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.815 -8.567 -1.294 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.401 -9.681 -2.620 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.498 -9.624 -1.838 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.651 -10.325 -2.656 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.350 -10.203 -3.381 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.880 -11.465 -3.422 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.578 -11.336 -4.140 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.835 -11.956 -4.156 1.00 0.00 C ATOM 0 H TRP A 83 -4.979 -5.585 -0.470 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.582 -7.897 0.730 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.520 -6.724 -2.076 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.489 -8.030 -1.526 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.236 -7.847 -0.609 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.477 -9.851 -1.663 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.379 -9.730 -3.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.848 -11.944 -3.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.774 -11.750 -4.730 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.982 -12.839 -4.760 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.555 -6.603 1.302 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.367 -5.850 1.687 1.00 0.00 C ATOM 1361 C PHE A 84 0.895 -6.606 1.285 1.00 0.00 C ATOM 1362 O PHE A 84 1.189 -7.674 1.819 1.00 0.00 O ATOM 1363 CB PHE A 84 -0.373 -5.574 3.192 1.00 0.00 C ATOM 1364 CG PHE A 84 -1.195 -4.376 3.582 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -2.520 -4.275 3.190 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.647 -3.353 4.342 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -3.282 -3.179 3.546 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.405 -2.255 4.700 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.723 -2.168 4.302 1.00 0.00 C ATOM 0 H PHE A 84 -1.688 -7.475 1.814 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.377 -4.894 1.163 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.756 -6.452 3.712 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.653 -5.426 3.530 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -2.963 -5.063 2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.384 -3.416 4.657 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -4.314 -3.113 3.233 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.966 -1.465 5.291 1.00 0.00 H new ATOM 0 HZ PHE A 84 -3.317 -1.310 4.581 1.00 0.00 H new ATOM 1379 N TRP A 85 1.628 -6.052 0.321 1.00 0.00 N ATOM 1380 CA TRP A 85 2.848 -6.683 -0.172 1.00 0.00 C ATOM 1381 C TRP A 85 4.089 -6.139 0.538 1.00 0.00 C ATOM 1382 O TRP A 85 4.126 -4.977 0.940 1.00 0.00 O ATOM 1383 CB TRP A 85 2.961 -6.485 -1.684 1.00 0.00 C ATOM 1384 CG TRP A 85 1.925 -7.256 -2.448 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.571 -7.095 -2.379 1.00 0.00 C ATOM 1386 CD2 TRP A 85 2.156 -8.316 -3.384 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.054 -7.991 -3.215 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.898 -8.750 -3.842 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.304 -8.938 -3.879 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.759 -9.779 -4.771 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 3.164 -9.959 -4.801 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.900 -10.370 -5.239 1.00 0.00 C ATOM 0 H TRP A 85 1.398 -5.168 -0.133 1.00 0.00 H new ATOM 0 HA TRP A 85 2.791 -7.750 0.045 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.863 -5.424 -1.916 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.953 -6.793 -2.013 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.065 -6.370 -1.759 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.062 -8.076 -3.346 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.284 -8.627 -3.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.215 -10.099 -5.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 4.045 -10.448 -5.190 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.824 -11.170 -5.961 1.00 0.00 H new ATOM 1403 N LEU A 86 5.101 -6.994 0.695 1.00 0.00 N ATOM 1404 CA LEU A 86 6.339 -6.610 1.361 1.00 0.00 C ATOM 1405 C LEU A 86 7.434 -6.304 0.338 1.00 0.00 C ATOM 1406 O LEU A 86 8.035 -7.207 -0.235 1.00 0.00 O ATOM 1407 CB LEU A 86 6.797 -7.727 2.297 1.00 0.00 C ATOM 1408 CG LEU A 86 8.170 -7.517 2.941 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.193 -6.224 3.740 1.00 0.00 C ATOM 1410 CD2 LEU A 86 8.528 -8.700 3.827 1.00 0.00 C ATOM 0 H LEU A 86 5.084 -7.960 0.367 1.00 0.00 H new ATOM 0 HA LEU A 86 6.150 -5.708 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.056 -7.842 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.815 -8.663 1.738 1.00 0.00 H new ATOM 0 HG LEU A 86 8.915 -7.443 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.177 -6.092 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.981 -5.384 3.079 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.438 -6.268 4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.507 -8.534 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.780 -8.805 4.613 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.554 -9.609 3.227 1.00 0.00 H new ATOM 1422 N VAL A 87 7.685 -5.023 0.127 1.00 0.00 N ATOM 1423 CA VAL A 87 8.699 -4.565 -0.821 1.00 0.00 C ATOM 1424 C VAL A 87 10.068 -4.531 -0.199 1.00 0.00 C ATOM 1425 O VAL A 87 10.208 -4.240 0.989 1.00 0.00 O ATOM 1426 CB VAL A 87 8.399 -3.160 -1.310 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.371 -2.741 -2.402 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.957 -3.072 -1.780 1.00 0.00 C ATOM 0 H VAL A 87 7.194 -4.268 0.606 1.00 0.00 H new ATOM 0 HA VAL A 87 8.678 -5.275 -1.648 1.00 0.00 H new ATOM 0 HB VAL A 87 8.531 -2.464 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.132 -1.730 -2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.389 -2.764 -2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.290 -3.428 -3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.749 -2.061 -2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.796 -3.778 -2.595 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.289 -3.314 -0.953 1.00 0.00 H new ATOM 1438 N GLU A 88 11.085 -4.834 -0.992 1.00 0.00 N ATOM 1439 CA GLU A 88 12.432 -4.825 -0.455 1.00 0.00 C ATOM 1440 C GLU A 88 13.276 -3.627 -0.915 1.00 0.00 C ATOM 1441 O GLU A 88 14.119 -3.151 -0.154 1.00 0.00 O ATOM 1442 CB GLU A 88 13.154 -6.135 -0.782 1.00 0.00 C ATOM 1443 CG GLU A 88 12.240 -7.350 -0.809 1.00 0.00 C ATOM 1444 CD GLU A 88 13.000 -8.655 -0.677 1.00 0.00 C ATOM 1445 OE1 GLU A 88 13.633 -9.076 -1.668 1.00 0.00 O ATOM 1446 OE2 GLU A 88 12.962 -9.256 0.416 1.00 0.00 O ATOM 0 H GLU A 88 11.007 -5.081 -1.978 1.00 0.00 H new ATOM 0 HA GLU A 88 12.319 -4.725 0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.642 -6.038 -1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.940 -6.300 -0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.515 -7.273 0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.676 -7.355 -1.742 1.00 0.00 H new ATOM 1453 N ARG A 89 13.082 -3.132 -2.143 1.00 0.00 N ATOM 1454 CA ARG A 89 13.877 -1.995 -2.614 1.00 0.00 C ATOM 1455 C ARG A 89 13.246 -1.328 -3.832 1.00 0.00 C ATOM 1456 O ARG A 89 12.366 -1.900 -4.472 1.00 0.00 O ATOM 1457 CB ARG A 89 15.320 -2.433 -2.914 1.00 0.00 C ATOM 1458 CG ARG A 89 15.551 -2.917 -4.338 1.00 0.00 C ATOM 1459 CD ARG A 89 16.209 -1.849 -5.198 1.00 0.00 C ATOM 1460 NE ARG A 89 17.639 -1.725 -4.921 1.00 0.00 N ATOM 1461 CZ ARG A 89 18.171 -0.796 -4.126 1.00 0.00 C ATOM 1462 NH1 ARG A 89 17.398 0.098 -3.520 1.00 0.00 N ATOM 1463 NH2 ARG A 89 19.482 -0.763 -3.936 1.00 0.00 N ATOM 0 H ARG A 89 12.400 -3.490 -2.812 1.00 0.00 H new ATOM 0 HA ARG A 89 13.898 -1.254 -1.815 1.00 0.00 H new ATOM 0 HB2 ARG A 89 15.989 -1.595 -2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.595 -3.231 -2.224 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.179 -3.808 -4.322 1.00 0.00 H new ATOM 0 HG3 ARG A 89 14.599 -3.206 -4.783 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.064 -2.091 -6.251 1.00 0.00 H new ATOM 0 HD3 ARG A 89 15.721 -0.890 -5.021 1.00 0.00 H new ATOM 0 HE ARG A 89 18.271 -2.392 -5.364 1.00 0.00 H new ATOM 0 HH11 ARG A 89 16.388 0.078 -3.661 1.00 0.00 H new ATOM 0 HH12 ARG A 89 17.814 0.805 -2.914 1.00 0.00 H new ATOM 0 HH21 ARG A 89 20.082 -1.447 -4.397 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.892 -0.053 -3.328 1.00 0.00 H new ATOM 1477 N TRP A 90 13.711 -0.122 -4.156 1.00 0.00 N ATOM 1478 CA TRP A 90 13.193 0.606 -5.310 1.00 0.00 C ATOM 1479 C TRP A 90 14.245 1.543 -5.900 1.00 0.00 C ATOM 1480 O TRP A 90 14.837 2.356 -5.190 1.00 0.00 O ATOM 1481 CB TRP A 90 11.922 1.377 -4.932 1.00 0.00 C ATOM 1482 CG TRP A 90 12.158 2.720 -4.311 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.573 3.855 -4.945 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.971 3.071 -2.937 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.654 4.893 -4.048 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.289 4.436 -2.810 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.565 2.365 -1.801 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.211 5.108 -1.594 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.488 3.034 -0.594 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.808 4.393 -0.500 1.00 0.00 C ATOM 0 H TRP A 90 14.441 0.368 -3.638 1.00 0.00 H new ATOM 0 HA TRP A 90 12.939 -0.123 -6.079 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.315 1.509 -5.828 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.339 0.770 -4.239 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.804 3.927 -5.998 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.939 5.847 -4.268 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.316 1.316 -1.865 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.460 6.156 -1.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.176 2.499 0.291 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.735 4.888 0.457 1.00 0.00 H new ATOM 1501 N GLU A 91 14.471 1.421 -7.209 1.00 0.00 N ATOM 1502 CA GLU A 91 15.451 2.258 -7.894 1.00 0.00 C ATOM 1503 C GLU A 91 14.899 3.660 -8.128 1.00 0.00 C ATOM 1504 O GLU A 91 13.698 3.840 -8.323 1.00 0.00 O ATOM 1505 CB GLU A 91 15.848 1.624 -9.229 1.00 0.00 C ATOM 1506 CG GLU A 91 16.618 0.322 -9.079 1.00 0.00 C ATOM 1507 CD GLU A 91 16.943 -0.318 -10.415 1.00 0.00 C ATOM 1508 OE1 GLU A 91 16.926 0.399 -11.438 1.00 0.00 O ATOM 1509 OE2 GLU A 91 17.214 -1.537 -10.438 1.00 0.00 O ATOM 0 H GLU A 91 13.990 0.753 -7.812 1.00 0.00 H new ATOM 0 HA GLU A 91 16.334 2.336 -7.259 1.00 0.00 H new ATOM 0 HB2 GLU A 91 14.948 1.439 -9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.455 2.333 -9.792 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.544 0.512 -8.536 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.033 -0.375 -8.479 1.00 0.00 H new ATOM 1516 N GLY A 92 15.784 4.651 -8.104 1.00 0.00 N ATOM 1517 CA GLY A 92 15.365 6.024 -8.315 1.00 0.00 C ATOM 1518 C GLY A 92 14.342 6.480 -7.294 1.00 0.00 C ATOM 1519 O GLY A 92 14.605 6.462 -6.091 1.00 0.00 O ATOM 0 H GLY A 92 16.784 4.528 -7.942 1.00 0.00 H new ATOM 0 HA2 GLY A 92 16.236 6.678 -8.269 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.944 6.123 -9.316 1.00 0.00 H new ATOM 1523 N GLU A 93 13.172 6.890 -7.772 1.00 0.00 N ATOM 1524 CA GLU A 93 12.105 7.351 -6.890 1.00 0.00 C ATOM 1525 C GLU A 93 10.767 6.730 -7.286 1.00 0.00 C ATOM 1526 O GLU A 93 10.519 6.473 -8.464 1.00 0.00 O ATOM 1527 CB GLU A 93 12.005 8.876 -6.931 1.00 0.00 C ATOM 1528 CG GLU A 93 13.046 9.577 -6.074 1.00 0.00 C ATOM 1529 CD GLU A 93 12.548 10.895 -5.514 1.00 0.00 C ATOM 1530 OE1 GLU A 93 11.317 11.060 -5.389 1.00 0.00 O ATOM 1531 OE2 GLU A 93 13.391 11.763 -5.200 1.00 0.00 O ATOM 0 H GLU A 93 12.938 6.913 -8.765 1.00 0.00 H new ATOM 0 HA GLU A 93 12.345 7.037 -5.874 1.00 0.00 H new ATOM 0 HB2 GLU A 93 12.110 9.211 -7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 93 11.011 9.176 -6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.335 8.923 -5.251 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.942 9.755 -6.669 1.00 0.00 H new ATOM 1538 N PRO A 94 9.876 6.490 -6.306 1.00 0.00 N ATOM 1539 CA PRO A 94 8.557 5.912 -6.555 1.00 0.00 C ATOM 1540 C PRO A 94 7.599 6.937 -7.134 1.00 0.00 C ATOM 1541 O PRO A 94 7.443 8.027 -6.583 1.00 0.00 O ATOM 1542 CB PRO A 94 8.082 5.456 -5.163 1.00 0.00 C ATOM 1543 CG PRO A 94 9.224 5.718 -4.233 1.00 0.00 C ATOM 1544 CD PRO A 94 10.061 6.778 -4.884 1.00 0.00 C ATOM 0 HA PRO A 94 8.596 5.100 -7.281 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.193 6.006 -4.854 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.817 4.399 -5.168 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.864 6.050 -3.259 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.805 4.811 -4.066 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.722 7.781 -4.624 1.00 0.00 H new ATOM 0 HD3 PRO A 94 11.108 6.709 -4.588 1.00 0.00 H new ATOM 1552 N TRP A 95 6.951 6.593 -8.241 1.00 0.00 N ATOM 1553 CA TRP A 95 6.011 7.511 -8.860 1.00 0.00 C ATOM 1554 C TRP A 95 4.735 6.805 -9.289 1.00 0.00 C ATOM 1555 O TRP A 95 3.640 7.164 -8.853 1.00 0.00 O ATOM 1556 CB TRP A 95 6.640 8.223 -10.061 1.00 0.00 C ATOM 1557 CG TRP A 95 7.288 7.320 -11.080 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.596 6.937 -11.112 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.669 6.713 -12.225 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.838 6.149 -12.214 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.671 5.999 -12.913 1.00 0.00 C ATOM 1562 CE3 TRP A 95 5.369 6.705 -12.739 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 7.412 5.294 -14.087 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 5.114 6.002 -13.902 1.00 0.00 C ATOM 1565 CH2 TRP A 95 6.132 5.309 -14.567 1.00 0.00 C ATOM 0 H TRP A 95 7.058 5.699 -8.720 1.00 0.00 H new ATOM 0 HA TRP A 95 5.754 8.255 -8.106 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.868 8.810 -10.559 1.00 0.00 H new ATOM 0 HB3 TRP A 95 7.388 8.926 -9.695 1.00 0.00 H new ATOM 0 HD1 TRP A 95 9.337 7.213 -10.377 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.739 5.744 -12.468 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.577 7.239 -12.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 8.195 4.755 -14.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 4.112 5.987 -14.304 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.902 4.776 -15.477 1.00 0.00 H new ATOM 1576 N GLY A 96 4.880 5.807 -10.147 1.00 0.00 N ATOM 1577 CA GLY A 96 3.726 5.066 -10.632 1.00 0.00 C ATOM 1578 C GLY A 96 2.570 5.965 -11.036 1.00 0.00 C ATOM 1579 O GLY A 96 2.526 6.469 -12.158 1.00 0.00 O ATOM 0 H GLY A 96 5.777 5.494 -10.519 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.024 4.460 -11.488 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.390 4.378 -9.856 1.00 0.00 H new ATOM 1583 N LYS A 97 1.630 6.161 -10.115 1.00 0.00 N ATOM 1584 CA LYS A 97 0.462 7.000 -10.370 1.00 0.00 C ATOM 1585 C LYS A 97 -0.520 6.938 -9.202 1.00 0.00 C ATOM 1586 O LYS A 97 -1.736 6.942 -9.400 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.238 6.570 -11.663 1.00 0.00 C ATOM 1588 CG LYS A 97 -0.491 7.717 -12.628 1.00 0.00 C ATOM 1589 CD LYS A 97 -1.651 7.414 -13.563 1.00 0.00 C ATOM 1590 CE LYS A 97 -1.899 8.559 -14.532 1.00 0.00 C ATOM 1591 NZ LYS A 97 -0.655 8.963 -15.244 1.00 0.00 N ATOM 0 H LYS A 97 1.655 5.749 -9.182 1.00 0.00 H new ATOM 0 HA LYS A 97 0.807 8.028 -10.479 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.369 5.814 -12.161 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.189 6.100 -11.413 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.704 8.626 -12.066 1.00 0.00 H new ATOM 0 HG3 LYS A 97 0.409 7.907 -13.213 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.441 6.502 -14.122 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.552 7.229 -12.978 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.654 8.261 -15.260 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.300 9.414 -13.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.900 9.556 -16.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.044 9.502 -14.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.150 8.114 -15.570 1.00 0.00 H new ATOM 1605 N GLU A 98 0.012 6.884 -7.985 1.00 0.00 N ATOM 1606 CA GLU A 98 -0.817 6.824 -6.789 1.00 0.00 C ATOM 1607 C GLU A 98 -1.589 8.129 -6.607 1.00 0.00 C ATOM 1608 O GLU A 98 -2.700 8.136 -6.077 1.00 0.00 O ATOM 1609 CB GLU A 98 0.052 6.542 -5.562 1.00 0.00 C ATOM 1610 CG GLU A 98 1.287 7.425 -5.473 1.00 0.00 C ATOM 1611 CD GLU A 98 2.501 6.680 -4.956 1.00 0.00 C ATOM 1612 OE1 GLU A 98 2.770 5.566 -5.455 1.00 0.00 O ATOM 1613 OE2 GLU A 98 3.185 7.208 -4.055 1.00 0.00 O ATOM 0 H GLU A 98 1.015 6.881 -7.802 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.537 6.013 -6.903 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.548 6.680 -4.663 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.363 5.498 -5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.509 7.833 -6.459 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.078 8.270 -4.818 1.00 0.00 H new ATOM 1620 N GLY A 99 -0.996 9.230 -7.063 1.00 0.00 N ATOM 1621 CA GLY A 99 -1.644 10.525 -6.957 1.00 0.00 C ATOM 1622 C GLY A 99 -1.421 11.203 -5.616 1.00 0.00 C ATOM 1623 O GLY A 99 -2.060 12.210 -5.315 1.00 0.00 O ATOM 0 H GLY A 99 -0.077 9.247 -7.505 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -1.274 11.174 -7.750 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.715 10.402 -7.120 1.00 0.00 H new ATOM 1627 N GLN A 100 -0.517 10.657 -4.808 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.229 11.231 -3.498 1.00 0.00 C ATOM 1629 C GLN A 100 1.263 11.186 -3.188 1.00 0.00 C ATOM 1630 O GLN A 100 1.766 10.206 -2.639 1.00 0.00 O ATOM 1631 CB GLN A 100 -1.015 10.500 -2.411 1.00 0.00 C ATOM 1632 CG GLN A 100 -2.484 10.887 -2.356 1.00 0.00 C ATOM 1633 CD GLN A 100 -3.394 9.695 -2.132 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -4.402 9.532 -2.818 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -3.041 8.856 -1.165 1.00 0.00 N ATOM 0 H GLN A 100 0.025 9.824 -5.035 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.538 12.276 -3.518 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.937 9.426 -2.579 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -0.557 10.706 -1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.635 11.610 -1.555 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -2.761 11.381 -3.288 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.196 9.031 -0.621 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.615 8.036 -0.966 1.00 0.00 H new ATOM 1644 N PRO A 101 1.986 12.262 -3.532 1.00 0.00 N ATOM 1645 CA PRO A 101 3.426 12.368 -3.288 1.00 0.00 C ATOM 1646 C PRO A 101 3.824 11.881 -1.896 1.00 0.00 C ATOM 1647 O PRO A 101 3.139 12.160 -0.912 1.00 0.00 O ATOM 1648 CB PRO A 101 3.665 13.869 -3.414 1.00 0.00 C ATOM 1649 CG PRO A 101 2.681 14.306 -4.436 1.00 0.00 C ATOM 1650 CD PRO A 101 1.453 13.476 -4.189 1.00 0.00 C ATOM 0 HA PRO A 101 4.012 11.755 -3.973 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.507 14.379 -2.464 1.00 0.00 H new ATOM 0 HB3 PRO A 101 4.687 14.085 -3.726 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.462 15.370 -4.341 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.065 14.149 -5.444 1.00 0.00 H new ATOM 0 HD2 PRO A 101 0.738 13.996 -3.552 1.00 0.00 H new ATOM 0 HD3 PRO A 101 0.937 13.236 -5.118 1.00 0.00 H new ATOM 1658 N GLY A 102 4.933 11.152 -1.821 1.00 0.00 N ATOM 1659 CA GLY A 102 5.399 10.638 -0.545 1.00 0.00 C ATOM 1660 C GLY A 102 6.888 10.848 -0.336 1.00 0.00 C ATOM 1661 O GLY A 102 7.582 11.350 -1.220 1.00 0.00 O ATOM 0 H GLY A 102 5.517 10.908 -2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.851 11.127 0.261 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.174 9.573 -0.483 1.00 0.00 H new ATOM 1665 N GLU A 103 7.378 10.457 0.837 1.00 0.00 N ATOM 1666 CA GLU A 103 8.793 10.596 1.167 1.00 0.00 C ATOM 1667 C GLU A 103 9.312 9.332 1.846 1.00 0.00 C ATOM 1668 O GLU A 103 8.538 8.567 2.419 1.00 0.00 O ATOM 1669 CB GLU A 103 9.010 11.805 2.078 1.00 0.00 C ATOM 1670 CG GLU A 103 9.284 13.096 1.323 1.00 0.00 C ATOM 1671 CD GLU A 103 10.751 13.476 1.332 1.00 0.00 C ATOM 1672 OE1 GLU A 103 11.600 12.564 1.421 1.00 0.00 O ATOM 1673 OE2 GLU A 103 11.052 14.685 1.249 1.00 0.00 O ATOM 0 H GLU A 103 6.814 10.040 1.577 1.00 0.00 H new ATOM 0 HA GLU A 103 9.347 10.747 0.241 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.128 11.940 2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 103 9.847 11.600 2.746 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.947 12.988 0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.701 13.903 1.767 1.00 0.00 H new ATOM 1680 N TRP A 104 10.623 9.116 1.781 1.00 0.00 N ATOM 1681 CA TRP A 104 11.227 7.935 2.398 1.00 0.00 C ATOM 1682 C TRP A 104 11.240 8.080 3.916 1.00 0.00 C ATOM 1683 O TRP A 104 12.016 8.860 4.470 1.00 0.00 O ATOM 1684 CB TRP A 104 12.660 7.709 1.881 1.00 0.00 C ATOM 1685 CG TRP A 104 12.916 8.279 0.515 1.00 0.00 C ATOM 1686 CD1 TRP A 104 12.036 8.345 -0.526 1.00 0.00 C ATOM 1687 CD2 TRP A 104 14.137 8.862 0.047 1.00 0.00 C ATOM 1688 NE1 TRP A 104 12.635 8.934 -1.614 1.00 0.00 N ATOM 1689 CE2 TRP A 104 13.925 9.259 -1.287 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.390 9.086 0.625 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 14.919 9.869 -2.050 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.375 9.691 -0.133 1.00 0.00 C ATOM 1693 CH2 TRP A 104 16.135 10.077 -1.457 1.00 0.00 C ATOM 0 H TRP A 104 11.284 9.736 1.312 1.00 0.00 H new ATOM 0 HA TRP A 104 10.624 7.069 2.125 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.363 8.153 2.586 1.00 0.00 H new ATOM 0 HB3 TRP A 104 12.863 6.638 1.860 1.00 0.00 H new ATOM 0 HD1 TRP A 104 11.018 7.987 -0.499 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.192 9.102 -2.517 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.585 8.792 1.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 14.736 10.167 -3.072 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.347 9.869 0.304 1.00 0.00 H new ATOM 0 HH2 TRP A 104 16.925 10.549 -2.022 1.00 0.00 H new ATOM 1704 N MET A 105 10.373 7.325 4.587 1.00 0.00 N ATOM 1705 CA MET A 105 10.282 7.372 6.044 1.00 0.00 C ATOM 1706 C MET A 105 10.582 6.010 6.655 1.00 0.00 C ATOM 1707 O MET A 105 10.547 4.992 5.970 1.00 0.00 O ATOM 1708 CB MET A 105 8.894 7.845 6.481 1.00 0.00 C ATOM 1709 CG MET A 105 8.304 8.926 5.590 1.00 0.00 C ATOM 1710 SD MET A 105 7.480 10.229 6.526 1.00 0.00 S ATOM 1711 CE MET A 105 6.378 9.261 7.555 1.00 0.00 C ATOM 0 H MET A 105 9.724 6.674 4.145 1.00 0.00 H new ATOM 0 HA MET A 105 11.027 8.083 6.401 1.00 0.00 H new ATOM 0 HB2 MET A 105 8.217 6.990 6.496 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.954 8.222 7.502 1.00 0.00 H new ATOM 0 HG2 MET A 105 9.097 9.365 4.985 1.00 0.00 H new ATOM 0 HG3 MET A 105 7.591 8.474 4.901 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.542 9.882 7.877 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.001 8.411 6.986 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.920 8.900 8.429 1.00 0.00 H new ATOM 1721 N SER A 106 10.872 5.999 7.950 1.00 0.00 N ATOM 1722 CA SER A 106 11.175 4.759 8.654 1.00 0.00 C ATOM 1723 C SER A 106 9.897 3.996 8.988 1.00 0.00 C ATOM 1724 O SER A 106 9.072 4.461 9.774 1.00 0.00 O ATOM 1725 CB SER A 106 11.957 5.053 9.936 1.00 0.00 C ATOM 1726 OG SER A 106 12.906 4.034 10.200 1.00 0.00 O ATOM 0 H SER A 106 10.904 6.835 8.534 1.00 0.00 H new ATOM 0 HA SER A 106 11.786 4.139 7.998 1.00 0.00 H new ATOM 0 HB2 SER A 106 12.466 6.013 9.843 1.00 0.00 H new ATOM 0 HB3 SER A 106 11.267 5.138 10.775 1.00 0.00 H new ATOM 0 HG SER A 106 13.291 4.169 11.091 1.00 0.00 H new ATOM 1732 N LEU A 107 9.742 2.820 8.387 1.00 0.00 N ATOM 1733 CA LEU A 107 8.566 1.990 8.624 1.00 0.00 C ATOM 1734 C LEU A 107 8.606 1.365 10.018 1.00 0.00 C ATOM 1735 O LEU A 107 7.582 0.930 10.542 1.00 0.00 O ATOM 1736 CB LEU A 107 8.464 0.895 7.560 1.00 0.00 C ATOM 1737 CG LEU A 107 7.044 0.593 7.076 1.00 0.00 C ATOM 1738 CD1 LEU A 107 6.177 0.120 8.232 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.433 1.820 6.413 1.00 0.00 C ATOM 0 H LEU A 107 10.415 2.421 7.733 1.00 0.00 H new ATOM 0 HA LEU A 107 7.685 2.629 8.561 1.00 0.00 H new ATOM 0 HB2 LEU A 107 9.070 1.186 6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.898 -0.021 7.961 1.00 0.00 H new ATOM 0 HG LEU A 107 7.094 -0.206 6.336 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.171 -0.090 7.870 1.00 0.00 H new ATOM 0 HD12 LEU A 107 6.605 -0.786 8.661 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.133 0.897 8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.423 1.586 6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.395 2.640 7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.043 2.113 5.558 1.00 0.00 H new ATOM 1751 N VAL A 108 9.795 1.331 10.615 1.00 0.00 N ATOM 1752 CA VAL A 108 9.965 0.767 11.951 1.00 0.00 C ATOM 1753 C VAL A 108 9.165 1.550 12.995 1.00 0.00 C ATOM 1754 O VAL A 108 9.022 1.111 14.135 1.00 0.00 O ATOM 1755 CB VAL A 108 11.452 0.745 12.360 1.00 0.00 C ATOM 1756 CG1 VAL A 108 12.004 2.160 12.458 1.00 0.00 C ATOM 1757 CG2 VAL A 108 11.635 0.000 13.674 1.00 0.00 C ATOM 0 H VAL A 108 10.654 1.687 10.195 1.00 0.00 H new ATOM 0 HA VAL A 108 9.589 -0.255 11.914 1.00 0.00 H new ATOM 0 HB VAL A 108 12.012 0.216 11.589 1.00 0.00 H new ATOM 0 HG11 VAL A 108 13.054 2.122 12.748 1.00 0.00 H new ATOM 0 HG12 VAL A 108 11.912 2.654 11.491 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.442 2.719 13.206 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.691 -0.005 13.946 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.061 0.496 14.457 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.285 -1.026 13.562 1.00 0.00 H new ATOM 1767 N GLY A 109 8.641 2.708 12.597 1.00 0.00 N ATOM 1768 CA GLY A 109 7.862 3.524 13.505 1.00 0.00 C ATOM 1769 C GLY A 109 6.544 3.943 12.888 1.00 0.00 C ATOM 1770 O GLY A 109 6.191 5.123 12.889 1.00 0.00 O ATOM 0 H GLY A 109 8.744 3.094 11.658 1.00 0.00 H new ATOM 0 HA2 GLY A 109 7.674 2.968 14.424 1.00 0.00 H new ATOM 0 HA3 GLY A 109 8.434 4.410 13.780 1.00 0.00 H new ATOM 1774 N LEU A 110 5.822 2.966 12.357 1.00 0.00 N ATOM 1775 CA LEU A 110 4.534 3.209 11.723 1.00 0.00 C ATOM 1776 C LEU A 110 3.540 3.776 12.731 1.00 0.00 C ATOM 1777 O LEU A 110 3.495 3.341 13.881 1.00 0.00 O ATOM 1778 CB LEU A 110 4.001 1.896 11.147 1.00 0.00 C ATOM 1779 CG LEU A 110 3.131 2.020 9.893 1.00 0.00 C ATOM 1780 CD1 LEU A 110 2.070 3.096 10.069 1.00 0.00 C ATOM 1781 CD2 LEU A 110 3.997 2.312 8.678 1.00 0.00 C ATOM 0 H LEU A 110 6.111 1.988 12.353 1.00 0.00 H new ATOM 0 HA LEU A 110 4.663 3.936 10.922 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.850 1.253 10.915 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.421 1.392 11.920 1.00 0.00 H new ATOM 0 HG LEU A 110 2.620 1.070 9.736 1.00 0.00 H new ATOM 0 HD11 LEU A 110 1.466 3.163 9.164 1.00 0.00 H new ATOM 0 HD12 LEU A 110 1.430 2.841 10.914 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.552 4.056 10.255 1.00 0.00 H new ATOM 0 HD21 LEU A 110 3.366 2.398 7.793 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.536 3.247 8.831 1.00 0.00 H new ATOM 0 HD23 LEU A 110 4.711 1.501 8.537 1.00 0.00 H new ATOM 1793 N ASN A 111 2.752 4.758 12.302 1.00 0.00 N ATOM 1794 CA ASN A 111 1.774 5.379 13.183 1.00 0.00 C ATOM 1795 C ASN A 111 0.351 5.160 12.694 1.00 0.00 C ATOM 1796 O ASN A 111 -0.007 5.546 11.580 1.00 0.00 O ATOM 1797 CB ASN A 111 2.061 6.874 13.322 1.00 0.00 C ATOM 1798 CG ASN A 111 2.464 7.258 14.732 1.00 0.00 C ATOM 1799 OD1 ASN A 111 1.695 7.092 15.678 1.00 0.00 O ATOM 1800 ND2 ASN A 111 3.679 7.775 14.879 1.00 0.00 N ATOM 0 H ASN A 111 2.773 5.137 11.355 1.00 0.00 H new ATOM 0 HA ASN A 111 1.863 4.903 14.160 1.00 0.00 H new ATOM 0 HB2 ASN A 111 2.856 7.154 12.631 1.00 0.00 H new ATOM 0 HB3 ASN A 111 1.175 7.439 13.034 1.00 0.00 H new ATOM 0 HD21 ASN A 111 4.007 8.052 15.804 1.00 0.00 H new ATOM 0 HD22 ASN A 111 4.284 7.895 14.067 1.00 0.00 H new ATOM 1807 N ALA A 112 -0.462 4.544 13.547 1.00 0.00 N ATOM 1808 CA ALA A 112 -1.854 4.278 13.224 1.00 0.00 C ATOM 1809 C ALA A 112 -2.677 5.569 13.241 1.00 0.00 C ATOM 1810 O ALA A 112 -3.803 5.605 12.746 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.443 3.256 14.190 1.00 0.00 C ATOM 0 H ALA A 112 -0.176 4.220 14.471 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.893 3.864 12.216 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.486 3.070 13.932 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.881 2.325 14.122 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.384 3.642 15.208 1.00 0.00 H new ATOM 1817 N ASP A 113 -2.114 6.625 13.829 1.00 0.00 N ATOM 1818 CA ASP A 113 -2.804 7.908 13.919 1.00 0.00 C ATOM 1819 C ASP A 113 -2.747 8.681 12.600 1.00 0.00 C ATOM 1820 O ASP A 113 -3.770 9.163 12.114 1.00 0.00 O ATOM 1821 CB ASP A 113 -2.197 8.754 15.041 1.00 0.00 C ATOM 1822 CG ASP A 113 -3.242 9.556 15.791 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -4.194 8.943 16.318 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -3.108 10.796 15.850 1.00 0.00 O ATOM 0 H ASP A 113 -1.184 6.616 14.249 1.00 0.00 H new ATOM 0 HA ASP A 113 -3.851 7.701 14.139 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.672 8.103 15.740 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.455 9.433 14.620 1.00 0.00 H new ATOM 1829 N ASP A 114 -1.551 8.806 12.024 1.00 0.00 N ATOM 1830 CA ASP A 114 -1.385 9.535 10.767 1.00 0.00 C ATOM 1831 C ASP A 114 -1.995 8.771 9.597 1.00 0.00 C ATOM 1832 O ASP A 114 -2.325 9.360 8.571 1.00 0.00 O ATOM 1833 CB ASP A 114 0.092 9.838 10.469 1.00 0.00 C ATOM 1834 CG ASP A 114 1.058 9.251 11.480 1.00 0.00 C ATOM 1835 OD1 ASP A 114 0.965 9.615 12.671 1.00 0.00 O ATOM 1836 OD2 ASP A 114 1.908 8.428 11.080 1.00 0.00 O ATOM 0 H ASP A 114 -0.689 8.415 12.404 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.913 10.481 10.887 1.00 0.00 H new ATOM 0 HB2 ASP A 114 0.339 9.453 9.480 1.00 0.00 H new ATOM 0 HB3 ASP A 114 0.231 10.919 10.434 1.00 0.00 H new ATOM 1841 N PHE A 115 -2.142 7.461 9.751 1.00 0.00 N ATOM 1842 CA PHE A 115 -2.715 6.632 8.697 1.00 0.00 C ATOM 1843 C PHE A 115 -4.186 6.328 8.998 1.00 0.00 C ATOM 1844 O PHE A 115 -4.671 6.617 10.092 1.00 0.00 O ATOM 1845 CB PHE A 115 -1.893 5.337 8.547 1.00 0.00 C ATOM 1846 CG PHE A 115 -2.573 4.102 9.062 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -3.093 4.079 10.338 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -2.688 2.969 8.274 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -3.717 2.956 10.829 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -3.312 1.840 8.758 1.00 0.00 C ATOM 1851 CZ PHE A 115 -3.826 1.834 10.039 1.00 0.00 C ATOM 0 H PHE A 115 -1.874 6.951 10.592 1.00 0.00 H new ATOM 0 HA PHE A 115 -2.676 7.173 7.751 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -1.656 5.193 7.493 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.946 5.460 9.072 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -3.009 4.956 10.962 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.285 2.970 7.272 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.120 2.954 11.831 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.399 0.961 8.136 1.00 0.00 H new ATOM 0 HZ PHE A 115 -4.313 0.949 10.421 1.00 0.00 H new ATOM 1861 N PRO A 116 -4.918 5.734 8.038 1.00 0.00 N ATOM 1862 CA PRO A 116 -6.333 5.394 8.230 1.00 0.00 C ATOM 1863 C PRO A 116 -6.517 4.280 9.261 1.00 0.00 C ATOM 1864 O PRO A 116 -5.893 3.227 9.156 1.00 0.00 O ATOM 1865 CB PRO A 116 -6.778 4.921 6.844 1.00 0.00 C ATOM 1866 CG PRO A 116 -5.528 4.461 6.177 1.00 0.00 C ATOM 1867 CD PRO A 116 -4.429 5.343 6.703 1.00 0.00 C ATOM 0 HA PRO A 116 -6.911 6.237 8.609 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -7.507 4.114 6.917 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.251 5.728 6.284 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.329 3.413 6.402 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -5.610 4.545 5.093 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.480 4.811 6.762 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -4.269 6.211 6.063 1.00 0.00 H new ATOM 1875 N PRO A 117 -7.375 4.495 10.277 1.00 0.00 N ATOM 1876 CA PRO A 117 -7.622 3.498 11.329 1.00 0.00 C ATOM 1877 C PRO A 117 -8.291 2.230 10.804 1.00 0.00 C ATOM 1878 O PRO A 117 -8.247 1.183 11.449 1.00 0.00 O ATOM 1879 CB PRO A 117 -8.553 4.226 12.304 1.00 0.00 C ATOM 1880 CG PRO A 117 -9.192 5.300 11.495 1.00 0.00 C ATOM 1881 CD PRO A 117 -8.162 5.723 10.486 1.00 0.00 C ATOM 0 HA PRO A 117 -6.690 3.155 11.778 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -9.298 3.548 12.719 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.997 4.642 13.144 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -10.094 4.935 11.003 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.490 6.139 12.124 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.623 6.069 9.561 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.544 6.539 10.859 1.00 0.00 H new ATOM 1889 N ALA A 118 -8.914 2.329 9.635 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.595 1.188 9.032 1.00 0.00 C ATOM 1891 C ALA A 118 -8.612 0.150 8.504 1.00 0.00 C ATOM 1892 O ALA A 118 -9.009 -0.945 8.105 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.519 1.656 7.917 1.00 0.00 C ATOM 0 H ALA A 118 -8.962 3.187 9.086 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.186 0.709 9.813 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -11.021 0.795 7.475 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.263 2.341 8.324 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -9.936 2.168 7.152 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.333 0.500 8.485 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.302 -0.397 7.983 1.00 0.00 C ATOM 1901 C ASN A 119 -5.298 -0.761 9.077 1.00 0.00 C ATOM 1902 O ASN A 119 -4.127 -1.013 8.798 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.592 0.280 6.814 1.00 0.00 C ATOM 1904 CG ASN A 119 -6.109 -0.193 5.469 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -5.333 -0.480 4.558 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.427 -0.272 5.337 1.00 0.00 N ATOM 0 H ASN A 119 -6.984 1.401 8.812 1.00 0.00 H new ATOM 0 HA ASN A 119 -6.769 -1.324 7.651 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -5.721 1.360 6.890 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -4.522 0.082 6.879 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -7.834 -0.581 4.454 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -8.034 -0.024 6.119 1.00 0.00 H new ATOM 1913 N GLU A 120 -5.762 -0.775 10.325 1.00 0.00 N ATOM 1914 CA GLU A 120 -4.901 -1.093 11.465 1.00 0.00 C ATOM 1915 C GLU A 120 -4.606 -2.592 11.588 1.00 0.00 C ATOM 1916 O GLU A 120 -3.536 -2.968 12.055 1.00 0.00 O ATOM 1917 CB GLU A 120 -5.523 -0.565 12.760 1.00 0.00 C ATOM 1918 CG GLU A 120 -4.764 0.604 13.365 1.00 0.00 C ATOM 1919 CD GLU A 120 -5.035 0.771 14.848 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -6.220 0.762 15.240 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -4.060 0.909 15.617 1.00 0.00 O ATOM 0 H GLU A 120 -6.730 -0.570 10.574 1.00 0.00 H new ATOM 0 HA GLU A 120 -3.946 -0.598 11.289 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -6.550 -0.257 12.561 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -5.568 -1.375 13.488 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.695 0.458 13.209 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.040 1.521 12.844 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.535 -3.478 11.191 1.00 0.00 N ATOM 1929 CA PRO A 121 -5.318 -4.926 11.292 1.00 0.00 C ATOM 1930 C PRO A 121 -3.968 -5.369 10.730 1.00 0.00 C ATOM 1931 O PRO A 121 -3.259 -6.162 11.350 1.00 0.00 O ATOM 1932 CB PRO A 121 -6.460 -5.508 10.461 1.00 0.00 C ATOM 1933 CG PRO A 121 -7.547 -4.496 10.560 1.00 0.00 C ATOM 1934 CD PRO A 121 -6.862 -3.157 10.629 1.00 0.00 C ATOM 0 HA PRO A 121 -5.305 -5.260 12.329 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -6.157 -5.665 9.426 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -6.781 -6.474 10.850 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.211 -4.551 9.697 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.160 -4.667 11.445 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.780 -2.697 9.644 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.408 -2.459 11.263 1.00 0.00 H new ATOM 1942 N VAL A 122 -3.616 -4.856 9.556 1.00 0.00 N ATOM 1943 CA VAL A 122 -2.348 -5.206 8.918 1.00 0.00 C ATOM 1944 C VAL A 122 -1.186 -4.467 9.562 1.00 0.00 C ATOM 1945 O VAL A 122 -0.179 -5.069 9.936 1.00 0.00 O ATOM 1946 CB VAL A 122 -2.345 -4.879 7.410 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -1.415 -5.822 6.665 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -3.748 -4.941 6.828 1.00 0.00 C ATOM 0 H VAL A 122 -4.188 -4.198 9.026 1.00 0.00 H new ATOM 0 HA VAL A 122 -2.232 -6.281 9.053 1.00 0.00 H new ATOM 0 HB VAL A 122 -1.980 -3.859 7.288 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -1.424 -5.578 5.603 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -0.402 -5.716 7.053 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.751 -6.850 6.804 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.711 -4.706 5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.154 -5.943 6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.386 -4.219 7.338 1.00 0.00 H new ATOM 1958 N ILE A 123 -1.329 -3.153 9.672 1.00 0.00 N ATOM 1959 CA ILE A 123 -0.293 -2.314 10.253 1.00 0.00 C ATOM 1960 C ILE A 123 -0.034 -2.671 11.711 1.00 0.00 C ATOM 1961 O ILE A 123 1.100 -2.633 12.170 1.00 0.00 O ATOM 1962 CB ILE A 123 -0.667 -0.824 10.142 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -0.789 -0.423 8.664 1.00 0.00 C ATOM 1964 CG2 ILE A 123 0.359 0.039 10.862 1.00 0.00 C ATOM 1965 CD1 ILE A 123 0.191 0.647 8.230 1.00 0.00 C ATOM 0 H ILE A 123 -2.158 -2.644 9.364 1.00 0.00 H new ATOM 0 HA ILE A 123 0.621 -2.496 9.688 1.00 0.00 H new ATOM 0 HB ILE A 123 -1.632 -0.664 10.622 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -0.641 -1.308 8.045 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -1.803 -0.069 8.477 1.00 0.00 H new ATOM 0 HG21 ILE A 123 0.078 1.088 10.773 1.00 0.00 H new ATOM 0 HG22 ILE A 123 0.394 -0.239 11.915 1.00 0.00 H new ATOM 0 HG23 ILE A 123 1.341 -0.113 10.414 1.00 0.00 H new ATOM 0 HD11 ILE A 123 0.039 0.873 7.174 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.030 1.549 8.821 1.00 0.00 H new ATOM 0 HD13 ILE A 123 1.210 0.291 8.382 1.00 0.00 H new ATOM 1977 N ALA A 124 -1.085 -3.017 12.438 1.00 0.00 N ATOM 1978 CA ALA A 124 -0.948 -3.378 13.843 1.00 0.00 C ATOM 1979 C ALA A 124 0.074 -4.495 14.019 1.00 0.00 C ATOM 1980 O ALA A 124 0.734 -4.591 15.054 1.00 0.00 O ATOM 1981 CB ALA A 124 -2.294 -3.791 14.418 1.00 0.00 C ATOM 0 H ALA A 124 -2.040 -3.056 12.081 1.00 0.00 H new ATOM 0 HA ALA A 124 -0.591 -2.503 14.387 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -2.175 -4.058 15.468 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -2.996 -2.962 14.332 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.677 -4.650 13.867 1.00 0.00 H new ATOM 1987 N LYS A 125 0.197 -5.342 13.001 1.00 0.00 N ATOM 1988 CA LYS A 125 1.139 -6.456 13.047 1.00 0.00 C ATOM 1989 C LYS A 125 2.568 -5.999 12.738 1.00 0.00 C ATOM 1990 O LYS A 125 3.506 -6.341 13.459 1.00 0.00 O ATOM 1991 CB LYS A 125 0.716 -7.548 12.061 1.00 0.00 C ATOM 1992 CG LYS A 125 0.759 -8.947 12.654 1.00 0.00 C ATOM 1993 CD LYS A 125 2.160 -9.536 12.592 1.00 0.00 C ATOM 1994 CE LYS A 125 2.370 -10.587 13.670 1.00 0.00 C ATOM 1995 NZ LYS A 125 2.419 -9.986 15.030 1.00 0.00 N ATOM 0 H LYS A 125 -0.342 -5.279 12.137 1.00 0.00 H new ATOM 0 HA LYS A 125 1.126 -6.858 14.060 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.296 -7.340 11.712 1.00 0.00 H new ATOM 0 HB3 LYS A 125 1.368 -7.511 11.188 1.00 0.00 H new ATOM 0 HG2 LYS A 125 0.422 -8.915 13.690 1.00 0.00 H new ATOM 0 HG3 LYS A 125 0.067 -9.594 12.114 1.00 0.00 H new ATOM 0 HD2 LYS A 125 2.326 -9.981 11.611 1.00 0.00 H new ATOM 0 HD3 LYS A 125 2.896 -8.741 12.709 1.00 0.00 H new ATOM 0 HE2 LYS A 125 1.563 -11.319 13.625 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.299 -11.124 13.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 2.888 -10.645 15.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 2.952 -9.094 14.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 1.451 -9.798 15.362 1.00 0.00 H new ATOM 2009 N LEU A 126 2.729 -5.233 11.661 1.00 0.00 N ATOM 2010 CA LEU A 126 4.046 -4.740 11.257 1.00 0.00 C ATOM 2011 C LEU A 126 4.480 -3.554 12.114 1.00 0.00 C ATOM 2012 O LEU A 126 5.612 -3.502 12.592 1.00 0.00 O ATOM 2013 CB LEU A 126 4.031 -4.338 9.782 1.00 0.00 C ATOM 2014 CG LEU A 126 5.404 -4.300 9.110 1.00 0.00 C ATOM 2015 CD1 LEU A 126 5.742 -5.656 8.510 1.00 0.00 C ATOM 2016 CD2 LEU A 126 5.442 -3.218 8.042 1.00 0.00 C ATOM 0 H LEU A 126 1.965 -4.940 11.052 1.00 0.00 H new ATOM 0 HA LEU A 126 4.764 -5.547 11.403 1.00 0.00 H new ATOM 0 HB2 LEU A 126 3.395 -5.036 9.237 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.572 -3.353 9.694 1.00 0.00 H new ATOM 0 HG LEU A 126 6.153 -4.064 9.866 1.00 0.00 H new ATOM 0 HD11 LEU A 126 6.723 -5.610 8.036 1.00 0.00 H new ATOM 0 HD12 LEU A 126 5.755 -6.409 9.298 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.991 -5.922 7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.426 -3.204 7.573 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.683 -3.425 7.287 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.244 -2.248 8.499 1.00 0.00 H new ATOM 2028 N LYS A 127 3.568 -2.607 12.301 1.00 0.00 N ATOM 2029 CA LYS A 127 3.839 -1.416 13.102 1.00 0.00 C ATOM 2030 C LYS A 127 4.386 -1.795 14.468 1.00 0.00 C ATOM 2031 O LYS A 127 5.334 -1.185 14.963 1.00 0.00 O ATOM 2032 CB LYS A 127 2.562 -0.611 13.274 1.00 0.00 C ATOM 2033 CG LYS A 127 2.711 0.600 14.179 1.00 0.00 C ATOM 2034 CD LYS A 127 1.488 1.501 14.112 1.00 0.00 C ATOM 2035 CE LYS A 127 0.244 0.797 14.633 1.00 0.00 C ATOM 2036 NZ LYS A 127 -0.204 1.358 15.938 1.00 0.00 N ATOM 0 H LYS A 127 2.628 -2.640 11.906 1.00 0.00 H new ATOM 0 HA LYS A 127 4.586 -0.816 12.582 1.00 0.00 H new ATOM 0 HB2 LYS A 127 2.219 -0.279 12.294 1.00 0.00 H new ATOM 0 HB3 LYS A 127 1.787 -1.261 13.679 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.865 0.271 15.206 1.00 0.00 H new ATOM 0 HG3 LYS A 127 3.597 1.165 13.889 1.00 0.00 H new ATOM 0 HD2 LYS A 127 1.668 2.403 14.697 1.00 0.00 H new ATOM 0 HD3 LYS A 127 1.324 1.816 13.082 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -0.559 0.891 13.902 1.00 0.00 H new ATOM 0 HE3 LYS A 127 0.449 -0.267 14.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -1.054 0.852 16.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 0.553 1.246 16.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -0.424 2.368 15.824 1.00 0.00 H new ATOM 2050 N ARG A 128 3.792 -2.822 15.064 1.00 0.00 N ATOM 2051 CA ARG A 128 4.231 -3.301 16.364 1.00 0.00 C ATOM 2052 C ARG A 128 5.656 -3.839 16.272 1.00 0.00 C ATOM 2053 O ARG A 128 6.269 -4.173 17.285 1.00 0.00 O ATOM 2054 CB ARG A 128 3.290 -4.393 16.875 1.00 0.00 C ATOM 2055 CG ARG A 128 3.564 -4.807 18.312 1.00 0.00 C ATOM 2056 CD ARG A 128 2.507 -5.774 18.823 1.00 0.00 C ATOM 2057 NE ARG A 128 3.071 -6.774 19.727 1.00 0.00 N ATOM 2058 CZ ARG A 128 3.914 -7.730 19.343 1.00 0.00 C ATOM 2059 NH1 ARG A 128 4.294 -7.819 18.075 1.00 0.00 N ATOM 2060 NH2 ARG A 128 4.379 -8.598 20.230 1.00 0.00 N ATOM 0 H ARG A 128 3.006 -3.337 14.666 1.00 0.00 H new ATOM 0 HA ARG A 128 4.212 -2.467 17.066 1.00 0.00 H new ATOM 0 HB2 ARG A 128 2.261 -4.041 16.797 1.00 0.00 H new ATOM 0 HB3 ARG A 128 3.377 -5.268 16.230 1.00 0.00 H new ATOM 0 HG2 ARG A 128 4.547 -5.273 18.377 1.00 0.00 H new ATOM 0 HG3 ARG A 128 3.588 -3.923 18.949 1.00 0.00 H new ATOM 0 HD2 ARG A 128 1.726 -5.217 19.340 1.00 0.00 H new ATOM 0 HD3 ARG A 128 2.035 -6.275 17.978 1.00 0.00 H new ATOM 0 HE ARG A 128 2.803 -6.737 20.710 1.00 0.00 H new ATOM 0 HH11 ARG A 128 3.940 -7.153 17.389 1.00 0.00 H new ATOM 0 HH12 ARG A 128 4.940 -8.554 17.787 1.00 0.00 H new ATOM 0 HH21 ARG A 128 4.091 -8.533 21.206 1.00 0.00 H new ATOM 0 HH22 ARG A 128 5.025 -9.331 19.936 1.00 0.00 H new ATOM 2074 N LEU A 129 6.177 -3.917 15.046 1.00 0.00 N ATOM 2075 CA LEU A 129 7.532 -4.411 14.824 1.00 0.00 C ATOM 2076 C LEU A 129 7.660 -5.865 15.267 1.00 0.00 C ATOM 2077 O LEU A 129 7.485 -6.185 16.443 1.00 0.00 O ATOM 2078 CB LEU A 129 8.545 -3.544 15.579 1.00 0.00 C ATOM 2079 CG LEU A 129 9.090 -2.345 14.798 1.00 0.00 C ATOM 2080 CD1 LEU A 129 7.951 -1.514 14.225 1.00 0.00 C ATOM 2081 CD2 LEU A 129 9.977 -1.489 15.691 1.00 0.00 C ATOM 0 H LEU A 129 5.682 -3.645 14.197 1.00 0.00 H new ATOM 0 HA LEU A 129 7.742 -4.355 13.756 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.076 -3.179 16.493 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.383 -4.172 15.880 1.00 0.00 H new ATOM 0 HG LEU A 129 9.690 -2.720 13.969 1.00 0.00 H new ATOM 0 HD11 LEU A 129 8.360 -0.667 13.674 1.00 0.00 H new ATOM 0 HD12 LEU A 129 7.354 -2.130 13.553 1.00 0.00 H new ATOM 0 HD13 LEU A 129 7.323 -1.149 15.037 1.00 0.00 H new ATOM 0 HD21 LEU A 129 10.357 -0.641 15.121 1.00 0.00 H new ATOM 0 HD22 LEU A 129 9.397 -1.126 16.539 1.00 0.00 H new ATOM 0 HD23 LEU A 129 10.814 -2.087 16.053 1.00 0.00 H new