USER MOD reduce.3.24.130724 H: found=0, std=0, add=1021, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1019 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 143 GLN : amide:sc= 0.0886 X(o=0.24,f=0.057) USER MOD Set 1.2: A 144 ASN : amide:sc= 0.148 X(o=0.24,f=-0.2) USER MOD Set 2.1: A 37 HIS : no HD1:sc= -0.348 X(o=0.099,f=0.014) USER MOD Set 2.2: A 53 SER OG : rot 19:sc= 0.447 USER MOD Set 3.1: A 40 THR OG1 : rot -164:sc= 0.142 USER MOD Set 3.2: A 98 TYR OH : rot 30:sc= 0.141 USER MOD Set 4.1: A 33 LYS NZ :NH3+ -176:sc=-0.00112 (180deg=-0.0229) USER MOD Set 4.2: A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0279 X(o=-0.028,f=-0.028) USER MOD Single : A 15 LYS NZ :NH3+ 160:sc=-0.00489 (180deg=-0.671) USER MOD Single : A 19 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 43 SER OG : rot 112:sc= 0.901 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -166:sc= -1.03 (180deg=-1.95) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 77:sc= 0.00176 USER MOD Single : A 78 CYS SG : rot -23:sc= 0.0659 USER MOD Single : A 79 THR OG1 : rot -160:sc= -0.152 USER MOD Single : A 80 MET CE :methyl -115:sc= -0.0608 (180deg=-3.81!) USER MOD Single : A 87 GLN : amide:sc= -1.58! K(o=-1.6!,f=-0.017) USER MOD Single : A 90 CYS SG : rot -140:sc= -1.19 USER MOD Single : A 93 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.307) USER MOD Single : A 94 HIS : no HD1:sc= -0.423 X(o=-0.42,f=-0.59) USER MOD Single : A 103 LYS NZ :NH3+ 151:sc= 0.0944 (180deg=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 142 GLN : amide:sc= -0.0324 X(o=-0.032,f=0) USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 151 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.22) USER MOD Single : A 152 MET CE :methyl 169:sc=-0.00339 (180deg=-0.017) USER MOD Single : A 154 MET CE :methyl 166:sc= -0.174 (180deg=-0.726) USER MOD Single : A 156 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 SER OG : rot -148:sc= 0.0717 USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ILE A 5 21.461 -4.748 -10.679 1.00 0.00 N ATOM 43 CA ILE A 5 22.111 -3.603 -9.963 1.00 0.00 C ATOM 44 C ILE A 5 22.989 -2.686 -10.892 1.00 0.00 C ATOM 45 O ILE A 5 22.876 -1.459 -10.816 1.00 0.00 O ATOM 46 CB ILE A 5 22.884 -4.164 -8.710 1.00 0.00 C ATOM 47 CG1 ILE A 5 21.990 -4.947 -7.690 1.00 0.00 C ATOM 48 CG2 ILE A 5 23.733 -3.108 -7.950 1.00 0.00 C ATOM 49 CD1 ILE A 5 20.915 -4.126 -6.977 1.00 0.00 C ATOM 0 HA ILE A 5 21.332 -2.923 -9.617 1.00 0.00 H new ATOM 0 HB ILE A 5 23.569 -4.877 -9.169 1.00 0.00 H new ATOM 0 HG12 ILE A 5 21.503 -5.767 -8.218 1.00 0.00 H new ATOM 0 HG13 ILE A 5 22.638 -5.394 -6.936 1.00 0.00 H new ATOM 0 HG21 ILE A 5 24.230 -3.582 -7.103 1.00 0.00 H new ATOM 0 HG22 ILE A 5 24.482 -2.691 -8.623 1.00 0.00 H new ATOM 0 HG23 ILE A 5 23.084 -2.310 -7.590 1.00 0.00 H new ATOM 0 HD11 ILE A 5 20.358 -4.769 -6.296 1.00 0.00 H new ATOM 0 HD12 ILE A 5 21.386 -3.322 -6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 5 20.233 -3.701 -7.714 1.00 0.00 H new ATOM 61 N ALA A 6 23.811 -3.289 -11.773 1.00 0.00 N ATOM 62 CA ALA A 6 24.526 -2.565 -12.850 1.00 0.00 C ATOM 63 C ALA A 6 23.650 -1.921 -13.968 1.00 0.00 C ATOM 64 O ALA A 6 24.047 -0.870 -14.472 1.00 0.00 O ATOM 65 CB ALA A 6 25.577 -3.510 -13.453 1.00 0.00 C ATOM 0 H ALA A 6 24.000 -4.291 -11.761 1.00 0.00 H new ATOM 0 HA ALA A 6 24.979 -1.698 -12.370 1.00 0.00 H new ATOM 0 HB1 ALA A 6 26.115 -2.995 -14.249 1.00 0.00 H new ATOM 0 HB2 ALA A 6 26.280 -3.815 -12.678 1.00 0.00 H new ATOM 0 HB3 ALA A 6 25.082 -4.392 -13.861 1.00 0.00 H new ATOM 71 N ARG A 7 22.487 -2.509 -14.343 1.00 0.00 N ATOM 72 CA ARG A 7 21.505 -1.865 -15.269 1.00 0.00 C ATOM 73 C ARG A 7 20.643 -0.711 -14.644 1.00 0.00 C ATOM 74 O ARG A 7 20.291 0.220 -15.371 1.00 0.00 O ATOM 75 CB ARG A 7 20.699 -2.948 -16.059 1.00 0.00 C ATOM 76 CG ARG A 7 19.295 -3.366 -15.555 1.00 0.00 C ATOM 77 CD ARG A 7 18.760 -4.658 -16.207 1.00 0.00 C ATOM 78 NE ARG A 7 17.309 -4.838 -15.958 1.00 0.00 N ATOM 79 CZ ARG A 7 16.643 -5.997 -16.132 1.00 0.00 C ATOM 80 NH1 ARG A 7 17.205 -7.119 -16.580 1.00 0.00 N ATOM 81 NH2 ARG A 7 15.357 -6.024 -15.838 1.00 0.00 N ATOM 0 H ARG A 7 22.200 -3.433 -14.020 1.00 0.00 H new ATOM 0 HA ARG A 7 22.089 -1.309 -16.003 1.00 0.00 H new ATOM 0 HB2 ARG A 7 20.587 -2.591 -17.083 1.00 0.00 H new ATOM 0 HB3 ARG A 7 21.313 -3.848 -16.101 1.00 0.00 H new ATOM 0 HG2 ARG A 7 19.333 -3.504 -14.474 1.00 0.00 H new ATOM 0 HG3 ARG A 7 18.593 -2.555 -15.748 1.00 0.00 H new ATOM 0 HD2 ARG A 7 18.944 -4.627 -17.281 1.00 0.00 H new ATOM 0 HD3 ARG A 7 19.306 -5.516 -15.815 1.00 0.00 H new ATOM 0 HE ARG A 7 16.779 -4.030 -15.633 1.00 0.00 H new ATOM 0 HH11 ARG A 7 18.198 -7.134 -16.814 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.643 -7.963 -16.689 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.896 -5.183 -15.490 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.824 -6.885 -15.959 1.00 0.00 H new ATOM 95 N LEU A 8 20.300 -0.762 -13.335 1.00 0.00 N ATOM 96 CA LEU A 8 19.492 0.288 -12.651 1.00 0.00 C ATOM 97 C LEU A 8 20.265 1.597 -12.317 1.00 0.00 C ATOM 98 O LEU A 8 19.689 2.674 -12.479 1.00 0.00 O ATOM 99 CB LEU A 8 18.776 -0.240 -11.375 1.00 0.00 C ATOM 100 CG LEU A 8 17.796 -1.447 -11.471 1.00 0.00 C ATOM 101 CD1 LEU A 8 16.890 -1.478 -10.228 1.00 0.00 C ATOM 102 CD2 LEU A 8 16.942 -1.534 -12.753 1.00 0.00 C ATOM 0 H LEU A 8 20.573 -1.529 -12.720 1.00 0.00 H new ATOM 0 HA LEU A 8 18.743 0.551 -13.398 1.00 0.00 H new ATOM 0 HB2 LEU A 8 19.551 -0.509 -10.657 1.00 0.00 H new ATOM 0 HB3 LEU A 8 18.221 0.594 -10.947 1.00 0.00 H new ATOM 0 HG LEU A 8 18.441 -2.324 -11.520 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.205 -2.323 -10.298 1.00 0.00 H new ATOM 0 HD12 LEU A 8 17.504 -1.581 -9.333 1.00 0.00 H new ATOM 0 HD13 LEU A 8 16.318 -0.552 -10.171 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.301 -2.414 -12.704 1.00 0.00 H new ATOM 0 HD22 LEU A 8 16.325 -0.640 -12.841 1.00 0.00 H new ATOM 0 HD23 LEU A 8 17.596 -1.610 -13.622 1.00 0.00 H new ATOM 114 N ARG A 9 21.544 1.542 -11.885 1.00 0.00 N ATOM 115 CA ARG A 9 22.419 2.746 -11.775 1.00 0.00 C ATOM 116 C ARG A 9 22.548 3.623 -13.071 1.00 0.00 C ATOM 117 O ARG A 9 22.449 4.851 -12.987 1.00 0.00 O ATOM 118 CB ARG A 9 23.778 2.368 -11.122 1.00 0.00 C ATOM 119 CG ARG A 9 24.731 1.478 -11.955 1.00 0.00 C ATOM 120 CD ARG A 9 25.936 0.941 -11.157 1.00 0.00 C ATOM 121 NE ARG A 9 26.907 0.214 -12.015 1.00 0.00 N ATOM 122 CZ ARG A 9 27.905 0.787 -12.716 1.00 0.00 C ATOM 123 NH1 ARG A 9 28.158 2.095 -12.722 1.00 0.00 N ATOM 124 NH2 ARG A 9 28.678 0.005 -13.445 1.00 0.00 N ATOM 0 H ARG A 9 22.002 0.675 -11.604 1.00 0.00 H new ATOM 0 HA ARG A 9 21.902 3.433 -11.105 1.00 0.00 H new ATOM 0 HB2 ARG A 9 24.304 3.290 -10.875 1.00 0.00 H new ATOM 0 HB3 ARG A 9 23.572 1.857 -10.181 1.00 0.00 H new ATOM 0 HG2 ARG A 9 24.168 0.635 -12.356 1.00 0.00 H new ATOM 0 HG3 ARG A 9 25.097 2.051 -12.807 1.00 0.00 H new ATOM 0 HD2 ARG A 9 26.442 1.772 -10.665 1.00 0.00 H new ATOM 0 HD3 ARG A 9 25.580 0.275 -10.371 1.00 0.00 H new ATOM 0 HE ARG A 9 26.810 -0.799 -12.078 1.00 0.00 H new ATOM 0 HH11 ARG A 9 27.578 2.729 -12.172 1.00 0.00 H new ATOM 0 HH12 ARG A 9 28.931 2.462 -13.276 1.00 0.00 H new ATOM 0 HH21 ARG A 9 28.511 -1.001 -13.466 1.00 0.00 H new ATOM 0 HH22 ARG A 9 29.443 0.406 -13.988 1.00 0.00 H new ATOM 138 N GLU A 10 22.692 2.985 -14.251 1.00 0.00 N ATOM 139 CA GLU A 10 22.552 3.649 -15.582 1.00 0.00 C ATOM 140 C GLU A 10 21.106 3.914 -16.127 1.00 0.00 C ATOM 141 O GLU A 10 20.988 4.526 -17.193 1.00 0.00 O ATOM 142 CB GLU A 10 23.417 2.865 -16.613 1.00 0.00 C ATOM 143 CG GLU A 10 23.021 1.388 -16.850 1.00 0.00 C ATOM 144 CD GLU A 10 23.860 0.690 -17.920 1.00 0.00 C ATOM 145 OE1 GLU A 10 23.543 0.824 -19.122 1.00 0.00 O ATOM 146 OE2 GLU A 10 24.842 0.002 -17.563 1.00 0.00 O ATOM 0 H GLU A 10 22.910 1.991 -14.317 1.00 0.00 H new ATOM 0 HA GLU A 10 22.909 4.667 -15.427 1.00 0.00 H new ATOM 0 HB2 GLU A 10 23.373 3.390 -17.567 1.00 0.00 H new ATOM 0 HB3 GLU A 10 24.455 2.893 -16.282 1.00 0.00 H new ATOM 0 HG2 GLU A 10 23.116 0.841 -15.912 1.00 0.00 H new ATOM 0 HG3 GLU A 10 21.971 1.345 -17.139 1.00 0.00 H new ATOM 153 N ASP A 11 20.025 3.518 -15.422 1.00 0.00 N ATOM 154 CA ASP A 11 18.628 3.906 -15.781 1.00 0.00 C ATOM 155 C ASP A 11 18.182 5.339 -15.336 1.00 0.00 C ATOM 156 O ASP A 11 17.044 5.708 -15.628 1.00 0.00 O ATOM 157 CB ASP A 11 17.708 2.742 -15.307 1.00 0.00 C ATOM 158 CG ASP A 11 16.243 2.785 -15.764 1.00 0.00 C ATOM 159 OD1 ASP A 11 15.971 2.504 -16.951 1.00 0.00 O ATOM 160 OD2 ASP A 11 15.361 3.105 -14.937 1.00 0.00 O ATOM 0 H ASP A 11 20.086 2.926 -14.594 1.00 0.00 H new ATOM 0 HA ASP A 11 18.550 4.025 -16.862 1.00 0.00 H new ATOM 0 HB2 ASP A 11 18.143 1.804 -15.651 1.00 0.00 H new ATOM 0 HB3 ASP A 11 17.723 2.720 -14.217 1.00 0.00 H new ATOM 165 N GLY A 12 19.040 6.153 -14.684 1.00 0.00 N ATOM 166 CA GLY A 12 18.601 7.401 -14.013 1.00 0.00 C ATOM 167 C GLY A 12 18.372 7.281 -12.482 1.00 0.00 C ATOM 168 O GLY A 12 18.719 8.187 -11.719 1.00 0.00 O ATOM 0 H GLY A 12 20.041 5.970 -14.607 1.00 0.00 H new ATOM 0 HA2 GLY A 12 19.348 8.174 -14.193 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.675 7.738 -14.478 1.00 0.00 H new ATOM 172 N ILE A 13 17.786 6.151 -12.061 1.00 0.00 N ATOM 173 CA ILE A 13 17.587 5.756 -10.639 1.00 0.00 C ATOM 174 C ILE A 13 18.919 5.262 -9.977 1.00 0.00 C ATOM 175 O ILE A 13 19.911 4.971 -10.654 1.00 0.00 O ATOM 176 CB ILE A 13 16.443 4.668 -10.586 1.00 0.00 C ATOM 177 CG1 ILE A 13 16.840 3.340 -11.307 1.00 0.00 C ATOM 178 CG2 ILE A 13 15.084 5.221 -11.077 1.00 0.00 C ATOM 179 CD1 ILE A 13 15.756 2.322 -11.655 1.00 0.00 C ATOM 0 H ILE A 13 17.422 5.457 -12.714 1.00 0.00 H new ATOM 0 HA ILE A 13 17.283 6.623 -10.053 1.00 0.00 H new ATOM 0 HB ILE A 13 16.314 4.414 -9.534 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.345 3.610 -12.235 1.00 0.00 H new ATOM 0 HG13 ILE A 13 17.574 2.834 -10.680 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.330 4.436 -11.022 1.00 0.00 H new ATOM 0 HG22 ILE A 13 14.783 6.058 -10.447 1.00 0.00 H new ATOM 0 HG23 ILE A 13 15.180 5.559 -12.109 1.00 0.00 H new ATOM 0 HD11 ILE A 13 16.209 1.463 -12.150 1.00 0.00 H new ATOM 0 HD12 ILE A 13 15.259 1.994 -10.742 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.026 2.781 -12.321 1.00 0.00 H new ATOM 191 N GLN A 14 18.895 5.129 -8.641 1.00 0.00 N ATOM 192 CA GLN A 14 19.959 4.431 -7.871 1.00 0.00 C ATOM 193 C GLN A 14 19.321 3.367 -6.945 1.00 0.00 C ATOM 194 O GLN A 14 18.260 3.599 -6.366 1.00 0.00 O ATOM 195 CB GLN A 14 20.780 5.430 -7.013 1.00 0.00 C ATOM 196 CG GLN A 14 21.716 6.382 -7.785 1.00 0.00 C ATOM 197 CD GLN A 14 22.785 5.713 -8.677 1.00 0.00 C ATOM 198 OE1 GLN A 14 23.447 4.750 -8.286 1.00 0.00 O ATOM 199 NE2 GLN A 14 22.985 6.212 -9.886 1.00 0.00 N ATOM 0 H GLN A 14 18.144 5.498 -8.058 1.00 0.00 H new ATOM 0 HA GLN A 14 20.632 3.952 -8.583 1.00 0.00 H new ATOM 0 HB2 GLN A 14 20.084 6.033 -6.429 1.00 0.00 H new ATOM 0 HB3 GLN A 14 21.380 4.860 -6.304 1.00 0.00 H new ATOM 0 HG2 GLN A 14 21.104 7.030 -8.412 1.00 0.00 H new ATOM 0 HG3 GLN A 14 22.224 7.023 -7.064 1.00 0.00 H new ATOM 0 HE21 GLN A 14 22.435 7.009 -10.206 1.00 0.00 H new ATOM 0 HE22 GLN A 14 23.689 5.799 -10.498 1.00 0.00 H new ATOM 208 N LYS A 15 20.015 2.226 -6.787 1.00 0.00 N ATOM 209 CA LYS A 15 19.584 1.102 -5.913 1.00 0.00 C ATOM 210 C LYS A 15 20.597 0.944 -4.739 1.00 0.00 C ATOM 211 O LYS A 15 21.815 0.911 -4.953 1.00 0.00 O ATOM 212 CB LYS A 15 19.526 -0.182 -6.799 1.00 0.00 C ATOM 213 CG LYS A 15 18.621 -1.351 -6.354 1.00 0.00 C ATOM 214 CD LYS A 15 18.907 -2.011 -4.988 1.00 0.00 C ATOM 215 CE LYS A 15 18.123 -3.319 -4.793 1.00 0.00 C ATOM 216 NZ LYS A 15 18.488 -4.024 -3.558 1.00 0.00 N ATOM 0 H LYS A 15 20.900 2.049 -7.263 1.00 0.00 H new ATOM 0 HA LYS A 15 18.602 1.285 -5.476 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.209 0.120 -7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 15 20.542 -0.567 -6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.592 -0.991 -6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 15 18.678 -2.127 -7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.974 -2.214 -4.902 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.650 -1.314 -4.190 1.00 0.00 H new ATOM 0 HE2 LYS A 15 17.056 -3.098 -4.778 1.00 0.00 H new ATOM 0 HE3 LYS A 15 18.301 -3.974 -5.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 17.730 -4.687 -3.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 19.372 -4.550 -3.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 18.621 -3.334 -2.791 1.00 0.00 H new ATOM 230 N ARG A 16 20.079 0.815 -3.501 1.00 0.00 N ATOM 231 CA ARG A 16 20.903 0.576 -2.284 1.00 0.00 C ATOM 232 C ARG A 16 20.132 -0.396 -1.343 1.00 0.00 C ATOM 233 O ARG A 16 18.972 -0.154 -1.002 1.00 0.00 O ATOM 234 CB ARG A 16 21.206 1.940 -1.594 1.00 0.00 C ATOM 235 CG ARG A 16 22.016 1.872 -0.277 1.00 0.00 C ATOM 236 CD ARG A 16 22.008 3.201 0.509 1.00 0.00 C ATOM 237 NE ARG A 16 22.548 3.049 1.885 1.00 0.00 N ATOM 238 CZ ARG A 16 21.834 2.619 2.949 1.00 0.00 C ATOM 239 NH1 ARG A 16 20.549 2.267 2.895 1.00 0.00 N ATOM 240 NH2 ARG A 16 22.447 2.539 4.115 1.00 0.00 N ATOM 0 H ARG A 16 19.079 0.872 -3.310 1.00 0.00 H new ATOM 0 HA ARG A 16 21.857 0.116 -2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 16 21.750 2.568 -2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 16 20.259 2.439 -1.389 1.00 0.00 H new ATOM 0 HG2 ARG A 16 21.608 1.082 0.353 1.00 0.00 H new ATOM 0 HG3 ARG A 16 23.046 1.598 -0.505 1.00 0.00 H new ATOM 0 HD2 ARG A 16 22.598 3.942 -0.030 1.00 0.00 H new ATOM 0 HD3 ARG A 16 20.988 3.582 0.562 1.00 0.00 H new ATOM 0 HE ARG A 16 23.528 3.286 2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 16 20.044 2.314 2.010 1.00 0.00 H new ATOM 0 HH12 ARG A 16 20.071 1.951 3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 16 23.431 2.798 4.193 1.00 0.00 H new ATOM 0 HH22 ARG A 16 21.937 2.218 4.938 1.00 0.00 H new ATOM 254 N VAL A 17 20.824 -1.454 -0.878 1.00 0.00 N ATOM 255 CA VAL A 17 20.256 -2.481 0.044 1.00 0.00 C ATOM 256 C VAL A 17 20.706 -2.271 1.519 1.00 0.00 C ATOM 257 O VAL A 17 21.840 -1.872 1.802 1.00 0.00 O ATOM 258 CB VAL A 17 20.569 -3.907 -0.526 1.00 0.00 C ATOM 259 CG1 VAL A 17 22.031 -4.380 -0.432 1.00 0.00 C ATOM 260 CG2 VAL A 17 19.697 -5.005 0.096 1.00 0.00 C ATOM 0 H VAL A 17 21.797 -1.629 -1.127 1.00 0.00 H new ATOM 0 HA VAL A 17 19.172 -2.373 0.086 1.00 0.00 H new ATOM 0 HB VAL A 17 20.338 -3.763 -1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 17 22.118 -5.379 -0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 17 22.672 -3.692 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 17 22.339 -4.404 0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.961 -5.969 -0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 17 19.863 -5.035 1.173 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.647 -4.792 -0.103 1.00 0.00 H new ATOM 270 N ILE A 18 19.794 -2.627 2.443 1.00 0.00 N ATOM 271 CA ILE A 18 20.070 -2.686 3.898 1.00 0.00 C ATOM 272 C ILE A 18 20.424 -4.166 4.273 1.00 0.00 C ATOM 273 O ILE A 18 21.571 -4.422 4.649 1.00 0.00 O ATOM 274 CB ILE A 18 18.893 -2.063 4.723 1.00 0.00 C ATOM 275 CG1 ILE A 18 18.376 -0.668 4.250 1.00 0.00 C ATOM 276 CG2 ILE A 18 19.281 -1.930 6.221 1.00 0.00 C ATOM 277 CD1 ILE A 18 16.851 -0.561 4.284 1.00 0.00 C ATOM 0 H ILE A 18 18.837 -2.884 2.203 1.00 0.00 H new ATOM 0 HA ILE A 18 20.932 -2.072 4.159 1.00 0.00 H new ATOM 0 HB ILE A 18 18.079 -2.769 4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 18 18.805 0.108 4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 18 18.727 -0.480 3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 18 18.449 -1.495 6.775 1.00 0.00 H new ATOM 0 HG22 ILE A 18 19.511 -2.915 6.626 1.00 0.00 H new ATOM 0 HG23 ILE A 18 20.155 -1.286 6.315 1.00 0.00 H new ATOM 0 HD11 ILE A 18 16.548 0.430 3.945 1.00 0.00 H new ATOM 0 HD12 ILE A 18 16.419 -1.317 3.628 1.00 0.00 H new ATOM 0 HD13 ILE A 18 16.498 -0.720 5.303 1.00 0.00 H new ATOM 289 N GLN A 19 19.458 -5.113 4.181 1.00 0.00 N ATOM 290 CA GLN A 19 19.652 -6.531 4.587 1.00 0.00 C ATOM 291 C GLN A 19 19.319 -7.446 3.378 1.00 0.00 C ATOM 292 O GLN A 19 18.145 -7.705 3.095 1.00 0.00 O ATOM 293 CB GLN A 19 18.765 -6.910 5.806 1.00 0.00 C ATOM 294 CG GLN A 19 19.009 -6.144 7.134 1.00 0.00 C ATOM 295 CD GLN A 19 17.802 -5.324 7.619 1.00 0.00 C ATOM 296 OE1 GLN A 19 17.289 -5.504 8.724 1.00 0.00 O ATOM 297 NE2 GLN A 19 17.334 -4.415 6.784 1.00 0.00 N ATOM 0 H GLN A 19 18.523 -4.918 3.824 1.00 0.00 H new ATOM 0 HA GLN A 19 20.690 -6.667 4.890 1.00 0.00 H new ATOM 0 HB2 GLN A 19 17.723 -6.767 5.521 1.00 0.00 H new ATOM 0 HB3 GLN A 19 18.899 -7.974 6.002 1.00 0.00 H new ATOM 0 HG2 GLN A 19 19.282 -6.860 7.909 1.00 0.00 H new ATOM 0 HG3 GLN A 19 19.860 -5.475 7.004 1.00 0.00 H new ATOM 0 HE21 GLN A 19 17.775 -4.283 5.874 1.00 0.00 H new ATOM 0 HE22 GLN A 19 16.531 -3.844 7.049 1.00 0.00 H new ATOM 306 N GLU A 20 20.370 -7.970 2.714 1.00 0.00 N ATOM 307 CA GLU A 20 20.272 -8.990 1.629 1.00 0.00 C ATOM 308 C GLU A 20 19.381 -10.224 1.980 1.00 0.00 C ATOM 309 O GLU A 20 19.697 -10.963 2.918 1.00 0.00 O ATOM 310 CB GLU A 20 21.712 -9.428 1.245 1.00 0.00 C ATOM 311 CG GLU A 20 22.502 -8.384 0.421 1.00 0.00 C ATOM 312 CD GLU A 20 23.881 -8.887 -0.008 1.00 0.00 C ATOM 313 OE1 GLU A 20 23.986 -9.515 -1.085 1.00 0.00 O ATOM 314 OE2 GLU A 20 24.865 -8.659 0.729 1.00 0.00 O ATOM 0 H GLU A 20 21.332 -7.696 2.915 1.00 0.00 H new ATOM 0 HA GLU A 20 19.765 -8.524 0.784 1.00 0.00 H new ATOM 0 HB2 GLU A 20 22.267 -9.647 2.157 1.00 0.00 H new ATOM 0 HB3 GLU A 20 21.656 -10.355 0.675 1.00 0.00 H new ATOM 0 HG2 GLU A 20 21.926 -8.116 -0.465 1.00 0.00 H new ATOM 0 HG3 GLU A 20 22.619 -7.475 1.011 1.00 0.00 H new ATOM 321 N GLY A 21 18.259 -10.415 1.249 1.00 0.00 N ATOM 322 CA GLY A 21 17.244 -11.428 1.601 1.00 0.00 C ATOM 323 C GLY A 21 17.560 -12.889 1.222 1.00 0.00 C ATOM 324 O GLY A 21 18.717 -13.322 1.206 1.00 0.00 O ATOM 0 H GLY A 21 18.036 -9.879 0.411 1.00 0.00 H new ATOM 0 HA2 GLY A 21 17.079 -11.384 2.678 1.00 0.00 H new ATOM 0 HA3 GLY A 21 16.305 -11.148 1.123 1.00 0.00 H new ATOM 328 N ARG A 22 16.481 -13.652 0.983 1.00 0.00 N ATOM 329 CA ARG A 22 16.540 -15.128 0.805 1.00 0.00 C ATOM 330 C ARG A 22 15.463 -15.601 -0.228 1.00 0.00 C ATOM 331 O ARG A 22 14.722 -14.801 -0.815 1.00 0.00 O ATOM 332 CB ARG A 22 16.429 -15.801 2.213 1.00 0.00 C ATOM 333 CG ARG A 22 17.284 -17.076 2.350 1.00 0.00 C ATOM 334 CD ARG A 22 17.101 -17.779 3.705 1.00 0.00 C ATOM 335 NE ARG A 22 17.957 -18.988 3.830 1.00 0.00 N ATOM 336 CZ ARG A 22 19.209 -18.999 4.332 1.00 0.00 C ATOM 337 NH1 ARG A 22 19.837 -17.921 4.799 1.00 0.00 N ATOM 338 NH2 ARG A 22 19.855 -20.151 4.361 1.00 0.00 N ATOM 0 H ARG A 22 15.538 -13.271 0.906 1.00 0.00 H new ATOM 0 HA ARG A 22 17.493 -15.438 0.376 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.734 -15.084 2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 22 15.386 -16.049 2.408 1.00 0.00 H new ATOM 0 HG2 ARG A 22 17.024 -17.769 1.549 1.00 0.00 H new ATOM 0 HG3 ARG A 22 18.335 -16.818 2.220 1.00 0.00 H new ATOM 0 HD2 ARG A 22 17.339 -17.083 4.509 1.00 0.00 H new ATOM 0 HD3 ARG A 22 16.055 -18.062 3.828 1.00 0.00 H new ATOM 0 HE ARG A 22 17.568 -19.876 3.512 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.369 -17.015 4.791 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.786 -18.002 5.165 1.00 0.00 H new ATOM 0 HH21 ARG A 22 19.405 -20.997 4.010 1.00 0.00 H new ATOM 0 HH22 ARG A 22 20.803 -20.195 4.734 1.00 0.00 H new ATOM 393 N PRO A 26 12.901 -14.596 -8.327 1.00 0.00 N ATOM 394 CA PRO A 26 12.007 -15.287 -9.297 1.00 0.00 C ATOM 395 C PRO A 26 11.915 -14.558 -10.679 1.00 0.00 C ATOM 396 O PRO A 26 12.891 -13.961 -11.149 1.00 0.00 O ATOM 397 CB PRO A 26 10.721 -15.399 -8.441 1.00 0.00 C ATOM 398 CG PRO A 26 10.688 -14.125 -7.606 1.00 0.00 C ATOM 399 CD PRO A 26 12.157 -13.902 -7.255 1.00 0.00 C ATOM 0 HA PRO A 26 12.335 -16.261 -9.662 1.00 0.00 H new ATOM 0 HB2 PRO A 26 9.835 -15.481 -9.070 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.745 -16.285 -7.807 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.276 -13.286 -8.167 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.074 -14.244 -6.713 1.00 0.00 H new ATOM 0 HD2 PRO A 26 12.402 -12.840 -7.225 1.00 0.00 H new ATOM 0 HD3 PRO A 26 12.398 -14.312 -6.274 1.00 0.00 H new ATOM 407 N ASP A 27 10.754 -14.655 -11.347 1.00 0.00 N ATOM 408 CA ASP A 27 10.534 -14.105 -12.713 1.00 0.00 C ATOM 409 C ASP A 27 10.614 -12.549 -12.783 1.00 0.00 C ATOM 410 O ASP A 27 11.521 -12.033 -13.443 1.00 0.00 O ATOM 411 CB ASP A 27 9.207 -14.660 -13.310 1.00 0.00 C ATOM 412 CG ASP A 27 9.227 -16.142 -13.717 1.00 0.00 C ATOM 413 OD1 ASP A 27 9.163 -17.018 -12.827 1.00 0.00 O ATOM 414 OD2 ASP A 27 9.305 -16.435 -14.931 1.00 0.00 O ATOM 0 H ASP A 27 9.931 -15.118 -10.961 1.00 0.00 H new ATOM 0 HA ASP A 27 11.362 -14.450 -13.333 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.412 -14.514 -12.579 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.948 -14.065 -14.186 1.00 0.00 H new ATOM 419 N PHE A 28 9.675 -11.813 -12.142 1.00 0.00 N ATOM 420 CA PHE A 28 9.512 -10.332 -12.309 1.00 0.00 C ATOM 421 C PHE A 28 9.361 -9.871 -13.792 1.00 0.00 C ATOM 422 O PHE A 28 10.214 -9.184 -14.364 1.00 0.00 O ATOM 423 CB PHE A 28 10.561 -9.511 -11.513 1.00 0.00 C ATOM 424 CG PHE A 28 10.362 -9.481 -9.989 1.00 0.00 C ATOM 425 CD1 PHE A 28 9.433 -8.598 -9.424 1.00 0.00 C ATOM 426 CD2 PHE A 28 11.141 -10.284 -9.152 1.00 0.00 C ATOM 427 CE1 PHE A 28 9.294 -8.517 -8.042 1.00 0.00 C ATOM 428 CE2 PHE A 28 11.004 -10.193 -7.770 1.00 0.00 C ATOM 429 CZ PHE A 28 10.085 -9.308 -7.215 1.00 0.00 C ATOM 0 H PHE A 28 9.004 -12.221 -11.492 1.00 0.00 H new ATOM 0 HA PHE A 28 8.549 -10.103 -11.852 1.00 0.00 H new ATOM 0 HB2 PHE A 28 11.550 -9.917 -11.725 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.551 -8.486 -11.883 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.822 -7.978 -10.063 1.00 0.00 H new ATOM 0 HD2 PHE A 28 11.851 -10.977 -9.578 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.572 -7.840 -7.611 1.00 0.00 H new ATOM 0 HE2 PHE A 28 11.613 -10.811 -7.127 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.986 -9.235 -6.142 1.00 0.00 H new ATOM 439 N GLN A 29 8.243 -10.300 -14.386 1.00 0.00 N ATOM 440 CA GLN A 29 7.823 -9.933 -15.761 1.00 0.00 C ATOM 441 C GLN A 29 6.272 -9.753 -15.802 1.00 0.00 C ATOM 442 O GLN A 29 5.611 -9.738 -14.758 1.00 0.00 O ATOM 443 CB GLN A 29 8.436 -10.933 -16.790 1.00 0.00 C ATOM 444 CG GLN A 29 7.908 -12.390 -16.733 1.00 0.00 C ATOM 445 CD GLN A 29 8.700 -13.364 -17.617 1.00 0.00 C ATOM 446 OE1 GLN A 29 8.320 -13.653 -18.752 1.00 0.00 O ATOM 447 NE2 GLN A 29 9.810 -13.888 -17.118 1.00 0.00 N ATOM 0 H GLN A 29 7.584 -10.926 -13.923 1.00 0.00 H new ATOM 0 HA GLN A 29 8.220 -8.964 -16.063 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.258 -10.544 -17.792 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.516 -10.955 -16.644 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.941 -12.740 -15.701 1.00 0.00 H new ATOM 0 HG3 GLN A 29 6.862 -12.401 -17.040 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.113 -13.639 -16.176 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.362 -14.540 -17.676 1.00 0.00 H new ATOM 456 N ASP A 30 5.686 -9.575 -17.004 1.00 0.00 N ATOM 457 CA ASP A 30 4.259 -9.167 -17.166 1.00 0.00 C ATOM 458 C ASP A 30 3.269 -10.265 -16.655 1.00 0.00 C ATOM 459 O ASP A 30 2.995 -11.257 -17.336 1.00 0.00 O ATOM 460 CB ASP A 30 3.961 -8.773 -18.640 1.00 0.00 C ATOM 461 CG ASP A 30 4.734 -7.554 -19.175 1.00 0.00 C ATOM 462 OD1 ASP A 30 4.261 -6.410 -19.004 1.00 0.00 O ATOM 463 OD2 ASP A 30 5.820 -7.742 -19.769 1.00 0.00 O ATOM 0 H ASP A 30 6.177 -9.707 -17.888 1.00 0.00 H new ATOM 0 HA ASP A 30 4.099 -8.288 -16.541 1.00 0.00 H new ATOM 0 HB2 ASP A 30 4.183 -9.629 -19.277 1.00 0.00 H new ATOM 0 HB3 ASP A 30 2.894 -8.573 -18.735 1.00 0.00 H new ATOM 468 N GLY A 31 2.792 -10.059 -15.415 1.00 0.00 N ATOM 469 CA GLY A 31 1.994 -11.045 -14.657 1.00 0.00 C ATOM 470 C GLY A 31 2.686 -11.626 -13.401 1.00 0.00 C ATOM 471 O GLY A 31 2.515 -12.821 -13.163 1.00 0.00 O ATOM 0 H GLY A 31 2.951 -9.192 -14.902 1.00 0.00 H new ATOM 0 HA2 GLY A 31 1.059 -10.575 -14.352 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.735 -11.868 -15.323 1.00 0.00 H new ATOM 475 N THR A 32 3.410 -10.834 -12.575 1.00 0.00 N ATOM 476 CA THR A 32 3.999 -11.318 -11.303 1.00 0.00 C ATOM 477 C THR A 32 3.276 -10.540 -10.170 1.00 0.00 C ATOM 478 O THR A 32 3.204 -9.310 -10.166 1.00 0.00 O ATOM 479 CB THR A 32 5.545 -11.129 -11.342 1.00 0.00 C ATOM 480 OG1 THR A 32 6.135 -12.070 -12.230 1.00 0.00 O ATOM 481 CG2 THR A 32 6.244 -11.270 -9.982 1.00 0.00 C ATOM 0 H THR A 32 3.601 -9.851 -12.769 1.00 0.00 H new ATOM 0 HA THR A 32 3.853 -12.384 -11.131 1.00 0.00 H new ATOM 0 HB THR A 32 5.688 -10.102 -11.678 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.106 -11.940 -12.247 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.317 -11.123 -10.107 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.853 -10.522 -9.293 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.059 -12.266 -9.579 1.00 0.00 H new ATOM 489 N LYS A 33 2.784 -11.287 -9.175 1.00 0.00 N ATOM 490 CA LYS A 33 2.170 -10.714 -7.956 1.00 0.00 C ATOM 491 C LYS A 33 3.249 -10.536 -6.852 1.00 0.00 C ATOM 492 O LYS A 33 3.529 -11.455 -6.081 1.00 0.00 O ATOM 493 CB LYS A 33 1.012 -11.673 -7.571 1.00 0.00 C ATOM 494 CG LYS A 33 0.276 -11.416 -6.239 1.00 0.00 C ATOM 495 CD LYS A 33 -0.793 -10.301 -6.234 1.00 0.00 C ATOM 496 CE LYS A 33 -0.299 -8.840 -6.266 1.00 0.00 C ATOM 497 NZ LYS A 33 0.659 -8.511 -5.196 1.00 0.00 N ATOM 0 H LYS A 33 2.797 -12.307 -9.185 1.00 0.00 H new ATOM 0 HA LYS A 33 1.762 -9.714 -8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.274 -11.645 -8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.412 -12.686 -7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.202 -12.346 -5.931 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.021 -11.175 -5.481 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.443 -10.455 -7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.408 -10.429 -5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.168 -8.646 -7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.159 -8.174 -6.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.894 -7.499 -5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.235 -8.729 -4.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.525 -9.073 -5.321 1.00 0.00 H new ATOM 511 N ALA A 34 3.809 -9.321 -6.775 1.00 0.00 N ATOM 512 CA ALA A 34 4.826 -8.946 -5.761 1.00 0.00 C ATOM 513 C ALA A 34 4.172 -8.206 -4.564 1.00 0.00 C ATOM 514 O ALA A 34 3.616 -7.113 -4.704 1.00 0.00 O ATOM 515 CB ALA A 34 5.904 -8.093 -6.448 1.00 0.00 C ATOM 0 H ALA A 34 3.574 -8.561 -7.414 1.00 0.00 H new ATOM 0 HA ALA A 34 5.291 -9.841 -5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.661 -7.807 -5.718 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.370 -8.670 -7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 34 5.447 -7.196 -6.866 1.00 0.00 H new ATOM 521 N THR A 35 4.260 -8.846 -3.389 1.00 0.00 N ATOM 522 CA THR A 35 3.634 -8.373 -2.124 1.00 0.00 C ATOM 523 C THR A 35 4.772 -7.891 -1.178 1.00 0.00 C ATOM 524 O THR A 35 5.709 -8.633 -0.866 1.00 0.00 O ATOM 525 CB THR A 35 2.822 -9.564 -1.539 1.00 0.00 C ATOM 526 OG1 THR A 35 1.767 -9.927 -2.426 1.00 0.00 O ATOM 527 CG2 THR A 35 2.193 -9.320 -0.162 1.00 0.00 C ATOM 0 H THR A 35 4.773 -9.720 -3.278 1.00 0.00 H new ATOM 0 HA THR A 35 2.952 -7.535 -2.269 1.00 0.00 H new ATOM 0 HB THR A 35 3.563 -10.354 -1.421 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.265 -10.679 -2.047 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.650 -10.211 0.153 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.977 -9.097 0.562 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.504 -8.478 -0.221 1.00 0.00 H new ATOM 535 N PHE A 36 4.673 -6.627 -0.740 1.00 0.00 N ATOM 536 CA PHE A 36 5.774 -5.928 -0.014 1.00 0.00 C ATOM 537 C PHE A 36 5.237 -4.715 0.805 1.00 0.00 C ATOM 538 O PHE A 36 4.087 -4.297 0.669 1.00 0.00 O ATOM 539 CB PHE A 36 6.944 -5.552 -0.982 1.00 0.00 C ATOM 540 CG PHE A 36 6.627 -4.742 -2.244 1.00 0.00 C ATOM 541 CD1 PHE A 36 6.296 -5.405 -3.428 1.00 0.00 C ATOM 542 CD2 PHE A 36 6.694 -3.349 -2.234 1.00 0.00 C ATOM 543 CE1 PHE A 36 6.039 -4.682 -4.583 1.00 0.00 C ATOM 544 CE2 PHE A 36 6.445 -2.624 -3.393 1.00 0.00 C ATOM 545 CZ PHE A 36 6.114 -3.291 -4.565 1.00 0.00 C ATOM 0 H PHE A 36 3.840 -6.054 -0.872 1.00 0.00 H new ATOM 0 HA PHE A 36 6.194 -6.620 0.716 1.00 0.00 H new ATOM 0 HB2 PHE A 36 7.681 -4.992 -0.407 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.423 -6.479 -1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 36 6.240 -6.483 -3.444 1.00 0.00 H new ATOM 0 HD2 PHE A 36 6.941 -2.830 -1.319 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.781 -5.197 -5.496 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.509 -1.546 -3.382 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.914 -2.730 -5.466 1.00 0.00 H new ATOM 555 N HIS A 37 6.099 -4.134 1.655 1.00 0.00 N ATOM 556 CA HIS A 37 5.857 -2.820 2.316 1.00 0.00 C ATOM 557 C HIS A 37 6.535 -1.647 1.554 1.00 0.00 C ATOM 558 O HIS A 37 7.426 -1.851 0.733 1.00 0.00 O ATOM 559 CB HIS A 37 6.419 -2.916 3.757 1.00 0.00 C ATOM 560 CG HIS A 37 5.500 -3.625 4.743 1.00 0.00 C ATOM 561 ND1 HIS A 37 4.340 -3.057 5.209 1.00 0.00 N ATOM 562 CD2 HIS A 37 5.757 -4.819 5.436 1.00 0.00 C ATOM 563 CE1 HIS A 37 4.014 -3.954 6.174 1.00 0.00 C ATOM 564 NE2 HIS A 37 4.784 -5.066 6.392 1.00 0.00 N ATOM 0 H HIS A 37 6.991 -4.557 1.911 1.00 0.00 H new ATOM 0 HA HIS A 37 4.787 -2.610 2.320 1.00 0.00 H new ATOM 0 HB2 HIS A 37 7.374 -3.440 3.728 1.00 0.00 H new ATOM 0 HB3 HIS A 37 6.619 -1.909 4.124 1.00 0.00 H new ATOM 0 HD2 HIS A 37 6.604 -5.462 5.248 1.00 0.00 H new ATOM 0 HE1 HIS A 37 3.135 -3.789 6.779 1.00 0.00 H new ATOM 0 HE2 HIS A 37 4.675 -5.836 7.052 1.00 0.00 H new ATOM 572 N TYR A 38 6.097 -0.408 1.847 1.00 0.00 N ATOM 573 CA TYR A 38 6.591 0.823 1.164 1.00 0.00 C ATOM 574 C TYR A 38 6.593 2.019 2.167 1.00 0.00 C ATOM 575 O TYR A 38 5.664 2.180 2.964 1.00 0.00 O ATOM 576 CB TYR A 38 5.725 1.083 -0.119 1.00 0.00 C ATOM 577 CG TYR A 38 4.418 1.908 -0.011 1.00 0.00 C ATOM 578 CD1 TYR A 38 3.249 1.336 0.497 1.00 0.00 C ATOM 579 CD2 TYR A 38 4.384 3.231 -0.461 1.00 0.00 C ATOM 580 CE1 TYR A 38 2.051 2.044 0.488 1.00 0.00 C ATOM 581 CE2 TYR A 38 3.190 3.949 -0.455 1.00 0.00 C ATOM 582 CZ TYR A 38 2.021 3.347 -0.003 1.00 0.00 C ATOM 583 OH TYR A 38 0.827 4.018 -0.069 1.00 0.00 O ATOM 0 H TYR A 38 5.392 -0.222 2.561 1.00 0.00 H new ATOM 0 HA TYR A 38 7.622 0.698 0.833 1.00 0.00 H new ATOM 0 HB2 TYR A 38 6.365 1.581 -0.848 1.00 0.00 H new ATOM 0 HB3 TYR A 38 5.463 0.111 -0.537 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.275 0.335 0.901 1.00 0.00 H new ATOM 0 HD2 TYR A 38 5.290 3.700 -0.816 1.00 0.00 H new ATOM 0 HE1 TYR A 38 1.147 1.585 0.861 1.00 0.00 H new ATOM 0 HE2 TYR A 38 3.172 4.972 -0.801 1.00 0.00 H new ATOM 0 HH TYR A 38 0.976 4.916 -0.433 1.00 0.00 H new ATOM 593 N ARG A 39 7.607 2.896 2.085 1.00 0.00 N ATOM 594 CA ARG A 39 7.686 4.114 2.938 1.00 0.00 C ATOM 595 C ARG A 39 8.313 5.247 2.098 1.00 0.00 C ATOM 596 O ARG A 39 9.536 5.356 1.957 1.00 0.00 O ATOM 597 CB ARG A 39 8.462 3.829 4.248 1.00 0.00 C ATOM 598 CG ARG A 39 8.143 4.758 5.447 1.00 0.00 C ATOM 599 CD ARG A 39 9.243 5.781 5.799 1.00 0.00 C ATOM 600 NE ARG A 39 10.519 5.162 6.256 1.00 0.00 N ATOM 601 CZ ARG A 39 10.771 4.752 7.515 1.00 0.00 C ATOM 602 NH1 ARG A 39 9.926 4.907 8.533 1.00 0.00 N ATOM 603 NH2 ARG A 39 11.926 4.160 7.753 1.00 0.00 N ATOM 0 H ARG A 39 8.389 2.792 1.438 1.00 0.00 H new ATOM 0 HA ARG A 39 6.691 4.426 3.254 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.262 2.801 4.548 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.529 3.897 4.036 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.222 5.299 5.231 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.951 4.139 6.324 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.444 6.400 4.924 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.872 6.444 6.580 1.00 0.00 H new ATOM 0 HE ARG A 39 11.258 5.039 5.564 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.025 5.360 8.383 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.180 4.573 9.462 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.596 4.025 6.995 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.149 3.837 8.694 1.00 0.00 H new ATOM 617 N THR A 40 7.433 6.093 1.549 1.00 0.00 N ATOM 618 CA THR A 40 7.827 7.238 0.702 1.00 0.00 C ATOM 619 C THR A 40 8.042 8.476 1.599 1.00 0.00 C ATOM 620 O THR A 40 7.123 8.939 2.281 1.00 0.00 O ATOM 621 CB THR A 40 6.795 7.492 -0.426 1.00 0.00 C ATOM 622 OG1 THR A 40 5.470 7.602 0.073 1.00 0.00 O ATOM 623 CG2 THR A 40 6.831 6.388 -1.480 1.00 0.00 C ATOM 0 H THR A 40 6.425 6.007 1.677 1.00 0.00 H new ATOM 0 HA THR A 40 8.766 7.012 0.197 1.00 0.00 H new ATOM 0 HB THR A 40 7.080 8.440 -0.882 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.833 7.503 -0.665 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.094 6.600 -2.255 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.824 6.344 -1.927 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.600 5.431 -1.012 1.00 0.00 H new ATOM 631 N LEU A 41 9.278 8.991 1.587 1.00 0.00 N ATOM 632 CA LEU A 41 9.643 10.242 2.283 1.00 0.00 C ATOM 633 C LEU A 41 10.527 11.121 1.357 1.00 0.00 C ATOM 634 O LEU A 41 11.264 10.618 0.505 1.00 0.00 O ATOM 635 CB LEU A 41 10.247 9.913 3.681 1.00 0.00 C ATOM 636 CG LEU A 41 11.732 9.443 3.778 1.00 0.00 C ATOM 637 CD1 LEU A 41 12.396 9.983 5.059 1.00 0.00 C ATOM 638 CD2 LEU A 41 11.885 7.913 3.698 1.00 0.00 C ATOM 0 H LEU A 41 10.058 8.555 1.095 1.00 0.00 H new ATOM 0 HA LEU A 41 8.764 10.851 2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.144 10.804 4.301 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.627 9.138 4.132 1.00 0.00 H new ATOM 0 HG LEU A 41 12.242 9.857 2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 41 13.430 9.642 5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.373 11.073 5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.855 9.617 5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 41 12.940 7.649 3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.337 7.449 4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 41 11.487 7.557 2.748 1.00 0.00 H new ATOM 650 N HIS A 42 10.495 12.445 1.558 1.00 0.00 N ATOM 651 CA HIS A 42 11.322 13.411 0.782 1.00 0.00 C ATOM 652 C HIS A 42 12.848 13.240 1.047 1.00 0.00 C ATOM 653 O HIS A 42 13.279 13.019 2.185 1.00 0.00 O ATOM 654 CB HIS A 42 10.839 14.850 1.119 1.00 0.00 C ATOM 655 CG HIS A 42 9.574 15.275 0.370 1.00 0.00 C ATOM 656 ND1 HIS A 42 8.275 14.954 0.718 1.00 0.00 N ATOM 657 CD2 HIS A 42 9.582 15.972 -0.840 1.00 0.00 C ATOM 658 CE1 HIS A 42 7.607 15.510 -0.338 1.00 0.00 C ATOM 659 NE2 HIS A 42 8.300 16.152 -1.336 1.00 0.00 N ATOM 0 H HIS A 42 9.900 12.887 2.259 1.00 0.00 H new ATOM 0 HA HIS A 42 11.189 13.215 -0.282 1.00 0.00 H new ATOM 0 HB2 HIS A 42 10.654 14.918 2.191 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.639 15.554 0.888 1.00 0.00 H new ATOM 0 HD2 HIS A 42 10.477 16.327 -1.329 1.00 0.00 H new ATOM 0 HE1 HIS A 42 6.530 15.444 -0.388 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.972 16.618 -2.182 1.00 0.00 H new ATOM 667 N SER A 43 13.648 13.334 -0.035 1.00 0.00 N ATOM 668 CA SER A 43 15.125 13.129 0.015 1.00 0.00 C ATOM 669 C SER A 43 15.867 14.244 0.816 1.00 0.00 C ATOM 670 O SER A 43 16.457 13.950 1.860 1.00 0.00 O ATOM 671 CB SER A 43 15.705 12.973 -1.416 1.00 0.00 C ATOM 672 OG SER A 43 15.228 11.801 -2.063 1.00 0.00 O ATOM 0 H SER A 43 13.298 13.553 -0.968 1.00 0.00 H new ATOM 0 HA SER A 43 15.299 12.202 0.561 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.441 13.847 -2.011 1.00 0.00 H new ATOM 0 HB3 SER A 43 16.793 12.940 -1.364 1.00 0.00 H new ATOM 0 HG SER A 43 14.638 12.053 -2.804 1.00 0.00 H new ATOM 678 N ASP A 44 15.822 15.501 0.330 1.00 0.00 N ATOM 679 CA ASP A 44 16.431 16.685 1.005 1.00 0.00 C ATOM 680 C ASP A 44 15.564 17.993 0.933 1.00 0.00 C ATOM 681 O ASP A 44 15.853 18.929 1.684 1.00 0.00 O ATOM 682 CB ASP A 44 17.866 16.887 0.433 1.00 0.00 C ATOM 683 CG ASP A 44 18.774 17.816 1.250 1.00 0.00 C ATOM 684 OD1 ASP A 44 19.313 17.375 2.289 1.00 0.00 O ATOM 685 OD2 ASP A 44 18.948 18.991 0.858 1.00 0.00 O ATOM 0 H ASP A 44 15.360 15.734 -0.549 1.00 0.00 H new ATOM 0 HA ASP A 44 16.479 16.476 2.074 1.00 0.00 H new ATOM 0 HB2 ASP A 44 18.348 15.913 0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 44 17.783 17.285 -0.578 1.00 0.00 H new ATOM 690 N ASP A 45 14.517 18.075 0.078 1.00 0.00 N ATOM 691 CA ASP A 45 13.597 19.247 -0.024 1.00 0.00 C ATOM 692 C ASP A 45 12.870 19.621 1.301 1.00 0.00 C ATOM 693 O ASP A 45 12.994 20.760 1.760 1.00 0.00 O ATOM 694 CB ASP A 45 12.603 18.934 -1.176 1.00 0.00 C ATOM 695 CG ASP A 45 11.669 20.071 -1.617 1.00 0.00 C ATOM 696 OD1 ASP A 45 12.154 21.058 -2.214 1.00 0.00 O ATOM 697 OD2 ASP A 45 10.446 19.975 -1.374 1.00 0.00 O ATOM 0 H ASP A 45 14.280 17.324 -0.570 1.00 0.00 H new ATOM 0 HA ASP A 45 14.185 20.140 -0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.180 18.613 -2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.987 18.088 -0.872 1.00 0.00 H new ATOM 702 N GLU A 46 12.126 18.666 1.884 1.00 0.00 N ATOM 703 CA GLU A 46 11.466 18.823 3.203 1.00 0.00 C ATOM 704 C GLU A 46 12.080 17.863 4.268 1.00 0.00 C ATOM 705 O GLU A 46 12.133 18.231 5.446 1.00 0.00 O ATOM 706 CB GLU A 46 9.944 18.561 3.041 1.00 0.00 C ATOM 707 CG GLU A 46 9.167 19.623 2.230 1.00 0.00 C ATOM 708 CD GLU A 46 7.707 19.230 1.997 1.00 0.00 C ATOM 709 OE1 GLU A 46 6.847 19.566 2.839 1.00 0.00 O ATOM 710 OE2 GLU A 46 7.414 18.578 0.970 1.00 0.00 O ATOM 0 H GLU A 46 11.961 17.755 1.455 1.00 0.00 H new ATOM 0 HA GLU A 46 11.628 19.841 3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 46 9.809 17.592 2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.498 18.489 4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.204 20.576 2.757 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.658 19.772 1.268 1.00 0.00 H new ATOM 717 N GLY A 47 12.465 16.625 3.882 1.00 0.00 N ATOM 718 CA GLY A 47 12.655 15.506 4.828 1.00 0.00 C ATOM 719 C GLY A 47 11.385 14.841 5.432 1.00 0.00 C ATOM 720 O GLY A 47 11.525 14.044 6.363 1.00 0.00 O ATOM 0 H GLY A 47 12.651 16.376 2.911 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.228 14.731 4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.269 15.866 5.654 1.00 0.00 H new ATOM 724 N THR A 48 10.178 15.160 4.924 1.00 0.00 N ATOM 725 CA THR A 48 8.889 14.692 5.496 1.00 0.00 C ATOM 726 C THR A 48 8.474 13.321 4.905 1.00 0.00 C ATOM 727 O THR A 48 8.601 13.083 3.701 1.00 0.00 O ATOM 728 CB THR A 48 7.791 15.783 5.305 1.00 0.00 C ATOM 729 OG1 THR A 48 6.673 15.479 6.131 1.00 0.00 O ATOM 730 CG2 THR A 48 7.271 15.993 3.867 1.00 0.00 C ATOM 0 H THR A 48 10.064 15.752 4.101 1.00 0.00 H new ATOM 0 HA THR A 48 9.015 14.536 6.567 1.00 0.00 H new ATOM 0 HB THR A 48 8.291 16.712 5.578 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.983 16.165 6.013 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.513 16.776 3.865 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.098 16.287 3.220 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.835 15.065 3.499 1.00 0.00 H new ATOM 738 N VAL A 49 7.894 12.470 5.760 1.00 0.00 N ATOM 739 CA VAL A 49 7.264 11.196 5.325 1.00 0.00 C ATOM 740 C VAL A 49 5.812 11.504 4.874 1.00 0.00 C ATOM 741 O VAL A 49 4.928 11.818 5.679 1.00 0.00 O ATOM 742 CB VAL A 49 7.457 10.048 6.363 1.00 0.00 C ATOM 743 CG1 VAL A 49 6.976 10.374 7.794 1.00 0.00 C ATOM 744 CG2 VAL A 49 6.850 8.709 5.899 1.00 0.00 C ATOM 0 H VAL A 49 7.843 12.633 6.766 1.00 0.00 H new ATOM 0 HA VAL A 49 7.771 10.779 4.455 1.00 0.00 H new ATOM 0 HB VAL A 49 8.541 9.945 6.415 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.152 9.515 8.442 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.525 11.235 8.175 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.910 10.603 7.776 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.016 7.950 6.663 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.779 8.832 5.737 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.325 8.397 4.969 1.00 0.00 H new ATOM 754 N LEU A 50 5.619 11.405 3.553 1.00 0.00 N ATOM 755 CA LEU A 50 4.290 11.517 2.913 1.00 0.00 C ATOM 756 C LEU A 50 3.407 10.236 3.035 1.00 0.00 C ATOM 757 O LEU A 50 2.181 10.363 3.097 1.00 0.00 O ATOM 758 CB LEU A 50 4.482 11.991 1.440 1.00 0.00 C ATOM 759 CG LEU A 50 5.088 10.967 0.432 1.00 0.00 C ATOM 760 CD1 LEU A 50 4.054 10.480 -0.594 1.00 0.00 C ATOM 761 CD2 LEU A 50 6.344 11.496 -0.279 1.00 0.00 C ATOM 0 H LEU A 50 6.378 11.245 2.891 1.00 0.00 H new ATOM 0 HA LEU A 50 3.715 12.264 3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.511 12.306 1.058 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.122 12.873 1.450 1.00 0.00 H new ATOM 0 HG LEU A 50 5.394 10.113 1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.523 9.769 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.227 9.995 -0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.677 11.330 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.719 10.738 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.094 12.399 -0.835 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.111 11.726 0.460 1.00 0.00 H new ATOM 773 N ASP A 51 4.018 9.026 3.038 1.00 0.00 N ATOM 774 CA ASP A 51 3.290 7.742 3.127 1.00 0.00 C ATOM 775 C ASP A 51 4.171 6.694 3.866 1.00 0.00 C ATOM 776 O ASP A 51 5.392 6.651 3.691 1.00 0.00 O ATOM 777 CB ASP A 51 2.849 7.248 1.717 1.00 0.00 C ATOM 778 CG ASP A 51 1.445 6.634 1.689 1.00 0.00 C ATOM 779 OD1 ASP A 51 1.217 5.610 2.369 1.00 0.00 O ATOM 780 OD2 ASP A 51 0.564 7.171 0.982 1.00 0.00 O ATOM 0 H ASP A 51 5.030 8.916 2.979 1.00 0.00 H new ATOM 0 HA ASP A 51 2.377 7.886 3.704 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.883 8.086 1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.566 6.509 1.360 1.00 0.00 H new ATOM 785 N ASP A 52 3.534 5.845 4.693 1.00 0.00 N ATOM 786 CA ASP A 52 4.241 4.868 5.561 1.00 0.00 C ATOM 787 C ASP A 52 3.323 3.638 5.804 1.00 0.00 C ATOM 788 O ASP A 52 2.233 3.750 6.376 1.00 0.00 O ATOM 789 CB ASP A 52 4.761 5.524 6.872 1.00 0.00 C ATOM 790 CG ASP A 52 3.768 6.315 7.750 1.00 0.00 C ATOM 791 OD1 ASP A 52 2.957 5.698 8.473 1.00 0.00 O ATOM 792 OD2 ASP A 52 3.796 7.566 7.706 1.00 0.00 O ATOM 0 H ASP A 52 2.519 5.812 4.783 1.00 0.00 H new ATOM 0 HA ASP A 52 5.138 4.515 5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.191 4.735 7.489 1.00 0.00 H new ATOM 0 HB3 ASP A 52 5.575 6.198 6.604 1.00 0.00 H new ATOM 797 N SER A 53 3.793 2.466 5.344 1.00 0.00 N ATOM 798 CA SER A 53 3.023 1.191 5.370 1.00 0.00 C ATOM 799 C SER A 53 3.531 0.202 6.450 1.00 0.00 C ATOM 800 O SER A 53 2.727 -0.267 7.256 1.00 0.00 O ATOM 801 CB SER A 53 3.063 0.598 3.946 1.00 0.00 C ATOM 802 OG SER A 53 2.287 -0.580 3.827 1.00 0.00 O ATOM 0 H SER A 53 4.724 2.366 4.939 1.00 0.00 H new ATOM 0 HA SER A 53 1.991 1.388 5.659 1.00 0.00 H new ATOM 0 HB2 SER A 53 2.700 1.341 3.236 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.096 0.377 3.677 1.00 0.00 H new ATOM 0 HG SER A 53 1.642 -0.623 4.564 1.00 0.00 H new ATOM 808 N ARG A 54 4.845 -0.099 6.476 1.00 0.00 N ATOM 809 CA ARG A 54 5.515 -0.822 7.589 1.00 0.00 C ATOM 810 C ARG A 54 5.548 -0.119 8.976 1.00 0.00 C ATOM 811 O ARG A 54 5.652 -0.811 9.993 1.00 0.00 O ATOM 812 CB ARG A 54 6.952 -1.263 7.165 1.00 0.00 C ATOM 813 CG ARG A 54 7.884 -0.254 6.427 1.00 0.00 C ATOM 814 CD ARG A 54 8.520 0.869 7.265 1.00 0.00 C ATOM 815 NE ARG A 54 9.516 0.351 8.239 1.00 0.00 N ATOM 816 CZ ARG A 54 9.699 0.824 9.487 1.00 0.00 C ATOM 817 NH1 ARG A 54 9.000 1.824 10.020 1.00 0.00 N ATOM 818 NH2 ARG A 54 10.629 0.256 10.230 1.00 0.00 N ATOM 0 H ARG A 54 5.482 0.153 5.720 1.00 0.00 H new ATOM 0 HA ARG A 54 4.870 -1.684 7.758 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.472 -1.587 8.066 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.848 -2.139 6.524 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.688 -0.820 5.958 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.310 0.209 5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.003 1.586 6.601 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.738 1.407 7.800 1.00 0.00 H new ATOM 0 HE ARG A 54 10.108 -0.424 7.939 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.271 2.284 9.475 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.194 2.130 10.974 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.181 -0.515 9.855 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.796 0.588 11.180 1.00 0.00 H new ATOM 832 N ALA A 55 5.408 1.221 9.023 1.00 0.00 N ATOM 833 CA ALA A 55 5.082 1.953 10.269 1.00 0.00 C ATOM 834 C ALA A 55 3.726 1.563 10.942 1.00 0.00 C ATOM 835 O ALA A 55 3.664 1.440 12.168 1.00 0.00 O ATOM 836 CB ALA A 55 5.126 3.456 9.956 1.00 0.00 C ATOM 0 H ALA A 55 5.516 1.824 8.208 1.00 0.00 H new ATOM 0 HA ALA A 55 5.829 1.669 11.011 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.889 4.022 10.857 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.123 3.726 9.609 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.397 3.688 9.180 1.00 0.00 H new ATOM 842 N ARG A 56 2.673 1.337 10.130 1.00 0.00 N ATOM 843 CA ARG A 56 1.401 0.704 10.578 1.00 0.00 C ATOM 844 C ARG A 56 1.452 -0.857 10.732 1.00 0.00 C ATOM 845 O ARG A 56 0.668 -1.404 11.514 1.00 0.00 O ATOM 846 CB ARG A 56 0.258 1.070 9.585 1.00 0.00 C ATOM 847 CG ARG A 56 0.010 2.564 9.252 1.00 0.00 C ATOM 848 CD ARG A 56 -0.358 3.492 10.433 1.00 0.00 C ATOM 849 NE ARG A 56 -1.652 3.163 11.087 1.00 0.00 N ATOM 850 CZ ARG A 56 -2.859 3.607 10.681 1.00 0.00 C ATOM 851 NH1 ARG A 56 -3.047 4.397 9.624 1.00 0.00 N ATOM 852 NH2 ARG A 56 -3.922 3.234 11.370 1.00 0.00 N ATOM 0 H ARG A 56 2.674 1.587 9.141 1.00 0.00 H new ATOM 0 HA ARG A 56 1.220 1.102 11.576 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.456 0.551 8.647 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.670 0.662 9.985 1.00 0.00 H new ATOM 0 HG2 ARG A 56 0.908 2.959 8.777 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -0.791 2.619 8.515 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.436 3.444 11.179 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -0.396 4.520 10.074 1.00 0.00 H new ATOM 0 HE ARG A 56 -1.625 2.555 11.905 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.249 4.702 9.067 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.989 4.696 9.372 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -3.816 2.627 12.183 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.849 3.553 11.089 1.00 0.00 H new ATOM 866 N GLY A 57 2.307 -1.566 9.962 1.00 0.00 N ATOM 867 CA GLY A 57 2.239 -3.038 9.795 1.00 0.00 C ATOM 868 C GLY A 57 1.210 -3.598 8.777 1.00 0.00 C ATOM 869 O GLY A 57 0.783 -4.742 8.949 1.00 0.00 O ATOM 0 H GLY A 57 3.067 -1.134 9.436 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.228 -3.389 9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.022 -3.477 10.769 1.00 0.00 H new ATOM 873 N LYS A 58 0.834 -2.826 7.735 1.00 0.00 N ATOM 874 CA LYS A 58 -0.253 -3.192 6.786 1.00 0.00 C ATOM 875 C LYS A 58 0.331 -3.211 5.335 1.00 0.00 C ATOM 876 O LYS A 58 0.352 -2.149 4.706 1.00 0.00 O ATOM 877 CB LYS A 58 -1.456 -2.203 6.912 1.00 0.00 C ATOM 878 CG LYS A 58 -2.068 -1.928 8.306 1.00 0.00 C ATOM 879 CD LYS A 58 -2.457 -3.181 9.104 1.00 0.00 C ATOM 880 CE LYS A 58 -3.248 -2.856 10.384 1.00 0.00 C ATOM 881 NZ LYS A 58 -3.616 -4.081 11.114 1.00 0.00 N ATOM 0 H LYS A 58 1.272 -1.930 7.523 1.00 0.00 H new ATOM 0 HA LYS A 58 -0.635 -4.184 7.026 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.137 -1.246 6.500 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.255 -2.576 6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.353 -1.350 8.892 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.954 -1.306 8.181 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.054 -3.837 8.471 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.554 -3.730 9.371 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.650 -2.212 11.029 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.149 -2.300 10.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.148 -3.828 11.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -4.206 -4.684 10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.754 -4.598 11.381 1.00 0.00 H new ATOM 895 N PRO A 59 0.811 -4.349 4.750 1.00 0.00 N ATOM 896 CA PRO A 59 1.566 -4.349 3.464 1.00 0.00 C ATOM 897 C PRO A 59 0.699 -4.117 2.197 1.00 0.00 C ATOM 898 O PRO A 59 -0.466 -4.521 2.121 1.00 0.00 O ATOM 899 CB PRO A 59 2.246 -5.735 3.472 1.00 0.00 C ATOM 900 CG PRO A 59 1.397 -6.612 4.392 1.00 0.00 C ATOM 901 CD PRO A 59 0.811 -5.661 5.422 1.00 0.00 C ATOM 0 HA PRO A 59 2.263 -3.513 3.406 1.00 0.00 H new ATOM 0 HB2 PRO A 59 2.292 -6.153 2.467 1.00 0.00 H new ATOM 0 HB3 PRO A 59 3.271 -5.665 3.836 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.611 -7.122 3.835 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.002 -7.384 4.868 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.197 -5.960 5.711 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.411 -5.642 6.332 1.00 0.00 H new ATOM 909 N MET A 60 1.327 -3.469 1.205 1.00 0.00 N ATOM 910 CA MET A 60 0.721 -3.220 -0.128 1.00 0.00 C ATOM 911 C MET A 60 0.894 -4.433 -1.098 1.00 0.00 C ATOM 912 O MET A 60 1.546 -5.440 -0.798 1.00 0.00 O ATOM 913 CB MET A 60 1.279 -1.875 -0.685 1.00 0.00 C ATOM 914 CG MET A 60 2.808 -1.760 -0.818 1.00 0.00 C ATOM 915 SD MET A 60 3.515 -3.092 -1.792 1.00 0.00 S ATOM 916 CE MET A 60 3.078 -2.597 -3.453 1.00 0.00 C ATOM 0 H MET A 60 2.273 -3.098 1.297 1.00 0.00 H new ATOM 0 HA MET A 60 -0.360 -3.120 -0.029 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.839 -1.706 -1.668 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.933 -1.069 -0.037 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.059 -0.805 -1.279 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.257 -1.762 0.175 1.00 0.00 H new ATOM 0 HE1 MET A 60 3.227 -3.435 -4.134 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.032 -2.291 -3.478 1.00 0.00 H new ATOM 0 HE3 MET A 60 3.708 -1.763 -3.762 1.00 0.00 H new ATOM 926 N GLU A 61 0.276 -4.294 -2.281 1.00 0.00 N ATOM 927 CA GLU A 61 0.299 -5.315 -3.354 1.00 0.00 C ATOM 928 C GLU A 61 0.427 -4.612 -4.731 1.00 0.00 C ATOM 929 O GLU A 61 -0.432 -3.823 -5.139 1.00 0.00 O ATOM 930 CB GLU A 61 -0.985 -6.185 -3.290 1.00 0.00 C ATOM 931 CG GLU A 61 -0.953 -7.289 -2.210 1.00 0.00 C ATOM 932 CD GLU A 61 -1.617 -6.931 -0.874 1.00 0.00 C ATOM 933 OE1 GLU A 61 -2.840 -6.666 -0.855 1.00 0.00 O ATOM 934 OE2 GLU A 61 -0.920 -6.922 0.165 1.00 0.00 O ATOM 0 H GLU A 61 -0.261 -3.463 -2.528 1.00 0.00 H new ATOM 0 HA GLU A 61 1.158 -5.972 -3.216 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.841 -5.536 -3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.144 -6.650 -4.263 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.440 -8.178 -2.610 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.087 -7.555 -2.019 1.00 0.00 H new ATOM 941 N LEU A 62 1.521 -4.947 -5.436 1.00 0.00 N ATOM 942 CA LEU A 62 1.824 -4.448 -6.799 1.00 0.00 C ATOM 943 C LEU A 62 1.744 -5.659 -7.765 1.00 0.00 C ATOM 944 O LEU A 62 2.341 -6.719 -7.544 1.00 0.00 O ATOM 945 CB LEU A 62 3.216 -3.748 -6.807 1.00 0.00 C ATOM 946 CG LEU A 62 3.932 -3.506 -8.168 1.00 0.00 C ATOM 947 CD1 LEU A 62 3.492 -2.211 -8.845 1.00 0.00 C ATOM 948 CD2 LEU A 62 5.448 -3.620 -8.076 1.00 0.00 C ATOM 0 H LEU A 62 2.233 -5.581 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 62 1.106 -3.696 -7.127 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.100 -2.780 -6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.886 -4.341 -6.184 1.00 0.00 H new ATOM 0 HG LEU A 62 3.606 -4.321 -8.815 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.024 -2.095 -9.789 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.419 -2.246 -9.035 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.718 -1.366 -8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.887 -3.441 -9.058 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.826 -2.881 -7.369 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.718 -4.620 -7.735 1.00 0.00 H new ATOM 960 N ILE A 63 1.054 -5.417 -8.885 1.00 0.00 N ATOM 961 CA ILE A 63 1.003 -6.355 -10.036 1.00 0.00 C ATOM 962 C ILE A 63 2.031 -5.798 -11.072 1.00 0.00 C ATOM 963 O ILE A 63 1.982 -4.632 -11.480 1.00 0.00 O ATOM 964 CB ILE A 63 -0.455 -6.525 -10.601 1.00 0.00 C ATOM 965 CG1 ILE A 63 -1.476 -7.205 -9.637 1.00 0.00 C ATOM 966 CG2 ILE A 63 -0.478 -7.357 -11.908 1.00 0.00 C ATOM 967 CD1 ILE A 63 -1.904 -6.383 -8.417 1.00 0.00 C ATOM 0 H ILE A 63 0.510 -4.566 -9.029 1.00 0.00 H new ATOM 0 HA ILE A 63 1.274 -7.371 -9.750 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.763 -5.492 -10.761 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.368 -7.461 -10.208 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.044 -8.141 -9.285 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.505 -7.449 -12.263 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.125 -6.859 -12.667 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.070 -8.349 -11.715 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.614 -6.958 -7.822 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.029 -6.148 -7.811 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.374 -5.457 -8.749 1.00 0.00 H new ATOM 979 N ILE A 64 2.935 -6.684 -11.516 1.00 0.00 N ATOM 980 CA ILE A 64 3.959 -6.355 -12.552 1.00 0.00 C ATOM 981 C ILE A 64 3.265 -6.337 -13.951 1.00 0.00 C ATOM 982 O ILE A 64 2.869 -7.391 -14.445 1.00 0.00 O ATOM 983 CB ILE A 64 5.211 -7.306 -12.532 1.00 0.00 C ATOM 984 CG1 ILE A 64 5.913 -7.520 -11.158 1.00 0.00 C ATOM 985 CG2 ILE A 64 6.279 -6.907 -13.586 1.00 0.00 C ATOM 986 CD1 ILE A 64 6.497 -6.291 -10.475 1.00 0.00 C ATOM 0 H ILE A 64 2.988 -7.645 -11.178 1.00 0.00 H new ATOM 0 HA ILE A 64 4.363 -5.369 -12.323 1.00 0.00 H new ATOM 0 HB ILE A 64 4.758 -8.265 -12.784 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.192 -7.974 -10.478 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.717 -8.242 -11.299 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.122 -7.596 -13.529 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.841 -6.951 -14.583 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.626 -5.893 -13.387 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.954 -6.583 -9.530 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.252 -5.841 -11.120 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.703 -5.568 -10.286 1.00 0.00 H new ATOM 998 N GLY A 65 3.142 -5.154 -14.578 1.00 0.00 N ATOM 999 CA GLY A 65 2.802 -5.015 -16.022 1.00 0.00 C ATOM 1000 C GLY A 65 1.554 -5.743 -16.574 1.00 0.00 C ATOM 1001 O GLY A 65 1.665 -6.502 -17.539 1.00 0.00 O ATOM 0 H GLY A 65 3.274 -4.260 -14.105 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.681 -3.952 -16.230 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.663 -5.357 -16.597 1.00 0.00 H new ATOM 1005 N LYS A 66 0.392 -5.545 -15.930 1.00 0.00 N ATOM 1006 CA LYS A 66 -0.811 -6.400 -16.136 1.00 0.00 C ATOM 1007 C LYS A 66 -2.054 -5.621 -15.604 1.00 0.00 C ATOM 1008 O LYS A 66 -2.876 -5.191 -16.419 1.00 0.00 O ATOM 1009 CB LYS A 66 -0.555 -7.844 -15.586 1.00 0.00 C ATOM 1010 CG LYS A 66 -1.746 -8.789 -15.351 1.00 0.00 C ATOM 1011 CD LYS A 66 -2.536 -9.183 -16.611 1.00 0.00 C ATOM 1012 CE LYS A 66 -3.746 -10.062 -16.249 1.00 0.00 C ATOM 1013 NZ LYS A 66 -4.445 -10.550 -17.450 1.00 0.00 N ATOM 0 H LYS A 66 0.250 -4.795 -15.254 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.031 -6.591 -17.186 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.124 -8.341 -16.278 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.026 -7.743 -14.638 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.378 -9.698 -14.875 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.430 -8.315 -14.647 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -2.875 -8.285 -17.128 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.885 -9.720 -17.300 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -3.413 -10.911 -15.652 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.439 -9.490 -15.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.254 -11.138 -17.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.785 -9.740 -18.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.791 -11.117 -18.026 1.00 0.00 H new ATOM 1027 N LYS A 67 -2.182 -5.415 -14.274 1.00 0.00 N ATOM 1028 CA LYS A 67 -3.180 -4.488 -13.673 1.00 0.00 C ATOM 1029 C LYS A 67 -2.603 -3.064 -13.398 1.00 0.00 C ATOM 1030 O LYS A 67 -3.281 -2.079 -13.707 1.00 0.00 O ATOM 1031 CB LYS A 67 -3.823 -5.065 -12.373 1.00 0.00 C ATOM 1032 CG LYS A 67 -5.030 -6.016 -12.524 1.00 0.00 C ATOM 1033 CD LYS A 67 -4.706 -7.436 -13.032 1.00 0.00 C ATOM 1034 CE LYS A 67 -5.885 -8.429 -12.989 1.00 0.00 C ATOM 1035 NZ LYS A 67 -6.267 -8.830 -11.620 1.00 0.00 N ATOM 0 H LYS A 67 -1.598 -5.885 -13.582 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.962 -4.388 -14.426 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.046 -5.596 -11.823 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.135 -4.225 -11.753 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.525 -6.101 -11.557 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.745 -5.560 -13.209 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.348 -7.365 -14.059 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.888 -7.841 -12.436 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.747 -7.979 -13.481 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.621 -9.319 -13.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.064 -9.497 -11.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.458 -9.287 -11.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.549 -7.989 -11.078 1.00 0.00 H new ATOM 1049 N PHE A 68 -1.417 -2.947 -12.758 1.00 0.00 N ATOM 1050 CA PHE A 68 -0.986 -1.704 -12.072 1.00 0.00 C ATOM 1051 C PHE A 68 -0.499 -0.594 -13.043 1.00 0.00 C ATOM 1052 O PHE A 68 0.138 -0.846 -14.072 1.00 0.00 O ATOM 1053 CB PHE A 68 0.121 -2.064 -11.041 1.00 0.00 C ATOM 1054 CG PHE A 68 0.131 -1.210 -9.762 1.00 0.00 C ATOM 1055 CD1 PHE A 68 -0.573 -1.665 -8.640 1.00 0.00 C ATOM 1056 CD2 PHE A 68 0.964 -0.088 -9.639 1.00 0.00 C ATOM 1057 CE1 PHE A 68 -0.425 -1.030 -7.413 1.00 0.00 C ATOM 1058 CE2 PHE A 68 1.110 0.544 -8.406 1.00 0.00 C ATOM 1059 CZ PHE A 68 0.428 0.059 -7.295 1.00 0.00 C ATOM 0 H PHE A 68 -0.736 -3.704 -12.702 1.00 0.00 H new ATOM 0 HA PHE A 68 -1.857 -1.284 -11.569 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.005 -3.110 -10.759 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.092 -1.971 -11.528 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.235 -2.514 -8.729 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.494 0.287 -10.502 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.973 -1.383 -6.552 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.751 1.408 -8.313 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.563 0.533 -6.334 1.00 0.00 H new ATOM 1069 N LYS A 69 -0.811 0.644 -12.647 1.00 0.00 N ATOM 1070 CA LYS A 69 -0.523 1.865 -13.444 1.00 0.00 C ATOM 1071 C LYS A 69 0.932 2.424 -13.342 1.00 0.00 C ATOM 1072 O LYS A 69 1.411 2.970 -14.337 1.00 0.00 O ATOM 1073 CB LYS A 69 -1.543 2.978 -13.094 1.00 0.00 C ATOM 1074 CG LYS A 69 -3.020 2.692 -13.437 1.00 0.00 C ATOM 1075 CD LYS A 69 -3.849 2.116 -12.270 1.00 0.00 C ATOM 1076 CE LYS A 69 -5.225 1.629 -12.747 1.00 0.00 C ATOM 1077 NZ LYS A 69 -6.136 1.370 -11.618 1.00 0.00 N ATOM 0 H LYS A 69 -1.274 0.840 -11.760 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.623 1.546 -14.481 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.474 3.180 -12.025 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.243 3.890 -13.611 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.487 3.617 -13.775 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.057 1.992 -14.272 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -3.308 1.289 -11.811 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.977 2.879 -11.502 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.667 2.376 -13.406 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -5.105 0.718 -13.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -7.054 1.043 -11.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -5.727 0.639 -11.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.271 2.245 -11.073 1.00 0.00 H new ATOM 1091 N LEU A 70 1.599 2.343 -12.168 1.00 0.00 N ATOM 1092 CA LEU A 70 2.893 3.020 -11.890 1.00 0.00 C ATOM 1093 C LEU A 70 4.086 2.041 -12.168 1.00 0.00 C ATOM 1094 O LEU A 70 4.289 1.128 -11.360 1.00 0.00 O ATOM 1095 CB LEU A 70 2.858 3.574 -10.430 1.00 0.00 C ATOM 1096 CG LEU A 70 3.856 4.655 -9.919 1.00 0.00 C ATOM 1097 CD1 LEU A 70 4.870 4.117 -8.905 1.00 0.00 C ATOM 1098 CD2 LEU A 70 4.516 5.516 -11.009 1.00 0.00 C ATOM 0 H LEU A 70 1.253 1.801 -11.377 1.00 0.00 H new ATOM 0 HA LEU A 70 3.047 3.868 -12.557 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.857 3.975 -10.273 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.964 2.714 -9.768 1.00 0.00 H new ATOM 0 HG LEU A 70 3.211 5.350 -9.382 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.534 4.923 -8.592 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.342 3.723 -8.037 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.457 3.322 -9.364 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.191 6.235 -10.545 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.079 4.875 -11.688 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.746 6.049 -11.568 1.00 0.00 H new ATOM 1110 N PRO A 71 4.888 2.173 -13.269 1.00 0.00 N ATOM 1111 CA PRO A 71 6.013 1.245 -13.588 1.00 0.00 C ATOM 1112 C PRO A 71 7.330 1.362 -12.756 1.00 0.00 C ATOM 1113 O PRO A 71 8.135 0.428 -12.789 1.00 0.00 O ATOM 1114 CB PRO A 71 6.265 1.560 -15.078 1.00 0.00 C ATOM 1115 CG PRO A 71 5.911 3.039 -15.234 1.00 0.00 C ATOM 1116 CD PRO A 71 4.720 3.218 -14.296 1.00 0.00 C ATOM 0 HA PRO A 71 5.726 0.223 -13.340 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.303 1.372 -15.351 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.647 0.936 -15.724 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.744 3.683 -14.953 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.652 3.284 -16.264 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.714 4.213 -13.851 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.776 3.101 -14.829 1.00 0.00 H new ATOM 1124 N VAL A 72 7.555 2.480 -12.036 1.00 0.00 N ATOM 1125 CA VAL A 72 8.747 2.659 -11.154 1.00 0.00 C ATOM 1126 C VAL A 72 8.744 1.758 -9.879 1.00 0.00 C ATOM 1127 O VAL A 72 9.812 1.259 -9.530 1.00 0.00 O ATOM 1128 CB VAL A 72 9.065 4.161 -10.885 1.00 0.00 C ATOM 1129 CG1 VAL A 72 8.048 4.905 -10.009 1.00 0.00 C ATOM 1130 CG2 VAL A 72 10.491 4.384 -10.329 1.00 0.00 C ATOM 0 H VAL A 72 6.927 3.283 -12.043 1.00 0.00 H new ATOM 0 HA VAL A 72 9.596 2.279 -11.722 1.00 0.00 H new ATOM 0 HB VAL A 72 8.992 4.600 -11.880 1.00 0.00 H new ATOM 0 HG11 VAL A 72 8.364 5.941 -9.885 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.069 4.879 -10.487 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.988 4.424 -9.033 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.654 5.449 -10.162 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.602 3.847 -9.387 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.223 4.013 -11.046 1.00 0.00 H new ATOM 1140 N TRP A 73 7.585 1.493 -9.230 1.00 0.00 N ATOM 1141 CA TRP A 73 7.443 0.392 -8.227 1.00 0.00 C ATOM 1142 C TRP A 73 7.901 -1.010 -8.715 1.00 0.00 C ATOM 1143 O TRP A 73 8.562 -1.716 -7.954 1.00 0.00 O ATOM 1144 CB TRP A 73 5.979 0.368 -7.686 1.00 0.00 C ATOM 1145 CG TRP A 73 5.662 1.387 -6.576 1.00 0.00 C ATOM 1146 CD1 TRP A 73 6.369 2.580 -6.314 1.00 0.00 C ATOM 1147 CD2 TRP A 73 4.627 1.373 -5.655 1.00 0.00 C ATOM 1148 NE1 TRP A 73 5.821 3.294 -5.248 1.00 0.00 N ATOM 1149 CE2 TRP A 73 4.743 2.536 -4.852 1.00 0.00 C ATOM 1150 CE3 TRP A 73 3.550 0.476 -5.454 1.00 0.00 C ATOM 1151 CZ2 TRP A 73 3.792 2.808 -3.850 1.00 0.00 C ATOM 1152 CZ3 TRP A 73 2.615 0.771 -4.457 1.00 0.00 C ATOM 1153 CH2 TRP A 73 2.734 1.921 -3.671 1.00 0.00 C ATOM 0 H TRP A 73 6.728 2.025 -9.379 1.00 0.00 H new ATOM 0 HA TRP A 73 8.137 0.622 -7.419 1.00 0.00 H new ATOM 0 HB2 TRP A 73 5.300 0.544 -8.520 1.00 0.00 H new ATOM 0 HB3 TRP A 73 5.767 -0.632 -7.307 1.00 0.00 H new ATOM 0 HD1 TRP A 73 7.234 2.903 -6.874 1.00 0.00 H new ATOM 0 HE1 TRP A 73 6.145 4.176 -4.852 1.00 0.00 H new ATOM 0 HE3 TRP A 73 3.453 -0.415 -6.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 3.882 3.689 -3.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 1.786 0.099 -4.291 1.00 0.00 H new ATOM 0 HH2 TRP A 73 1.993 2.125 -2.912 1.00 0.00 H new ATOM 1164 N GLU A 74 7.598 -1.360 -9.974 1.00 0.00 N ATOM 1165 CA GLU A 74 8.051 -2.626 -10.627 1.00 0.00 C ATOM 1166 C GLU A 74 9.588 -2.723 -10.887 1.00 0.00 C ATOM 1167 O GLU A 74 10.159 -3.794 -10.687 1.00 0.00 O ATOM 1168 CB GLU A 74 7.280 -2.832 -11.966 1.00 0.00 C ATOM 1169 CG GLU A 74 5.738 -2.669 -11.972 1.00 0.00 C ATOM 1170 CD GLU A 74 5.077 -2.670 -13.356 1.00 0.00 C ATOM 1171 OE1 GLU A 74 5.642 -3.228 -14.324 1.00 0.00 O ATOM 1172 OE2 GLU A 74 3.965 -2.110 -13.476 1.00 0.00 O ATOM 0 H GLU A 74 7.027 -0.776 -10.585 1.00 0.00 H new ATOM 0 HA GLU A 74 7.825 -3.418 -9.913 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.689 -2.131 -12.694 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.507 -3.835 -12.327 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.303 -3.475 -11.381 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.487 -1.734 -11.470 1.00 0.00 H new ATOM 1179 N THR A 75 10.239 -1.624 -11.315 1.00 0.00 N ATOM 1180 CA THR A 75 11.720 -1.522 -11.475 1.00 0.00 C ATOM 1181 C THR A 75 12.495 -1.452 -10.113 1.00 0.00 C ATOM 1182 O THR A 75 13.548 -2.088 -10.001 1.00 0.00 O ATOM 1183 CB THR A 75 12.017 -0.315 -12.419 1.00 0.00 C ATOM 1184 OG1 THR A 75 11.275 -0.421 -13.633 1.00 0.00 O ATOM 1185 CG2 THR A 75 13.491 -0.183 -12.829 1.00 0.00 C ATOM 0 H THR A 75 9.752 -0.764 -11.566 1.00 0.00 H new ATOM 0 HA THR A 75 12.096 -2.439 -11.928 1.00 0.00 H new ATOM 0 HB THR A 75 11.731 0.557 -11.831 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.341 -0.172 -13.469 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.611 0.680 -13.484 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.106 -0.051 -11.939 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.804 -1.084 -13.356 1.00 0.00 H new ATOM 1193 N ILE A 76 11.969 -0.747 -9.082 1.00 0.00 N ATOM 1194 CA ILE A 76 12.404 -0.873 -7.654 1.00 0.00 C ATOM 1195 C ILE A 76 12.462 -2.370 -7.181 1.00 0.00 C ATOM 1196 O ILE A 76 13.518 -2.817 -6.721 1.00 0.00 O ATOM 1197 CB ILE A 76 11.521 0.064 -6.733 1.00 0.00 C ATOM 1198 CG1 ILE A 76 11.749 1.588 -7.003 1.00 0.00 C ATOM 1199 CG2 ILE A 76 11.666 -0.196 -5.207 1.00 0.00 C ATOM 1200 CD1 ILE A 76 10.651 2.531 -6.478 1.00 0.00 C ATOM 0 H ILE A 76 11.222 -0.065 -9.212 1.00 0.00 H new ATOM 0 HA ILE A 76 13.432 -0.522 -7.565 1.00 0.00 H new ATOM 0 HB ILE A 76 10.506 -0.210 -7.022 1.00 0.00 H new ATOM 0 HG12 ILE A 76 12.698 1.880 -6.553 1.00 0.00 H new ATOM 0 HG13 ILE A 76 11.846 1.737 -8.078 1.00 0.00 H new ATOM 0 HG21 ILE A 76 11.024 0.493 -4.658 1.00 0.00 H new ATOM 0 HG22 ILE A 76 11.373 -1.222 -4.983 1.00 0.00 H new ATOM 0 HG23 ILE A 76 12.703 -0.042 -4.909 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.911 3.562 -6.719 1.00 0.00 H new ATOM 0 HD12 ILE A 76 9.700 2.277 -6.945 1.00 0.00 H new ATOM 0 HD13 ILE A 76 10.564 2.422 -5.397 1.00 0.00 H new ATOM 1212 N VAL A 77 11.347 -3.119 -7.305 1.00 0.00 N ATOM 1213 CA VAL A 77 11.264 -4.529 -6.826 1.00 0.00 C ATOM 1214 C VAL A 77 11.765 -5.652 -7.780 1.00 0.00 C ATOM 1215 O VAL A 77 11.890 -6.786 -7.308 1.00 0.00 O ATOM 1216 CB VAL A 77 9.860 -4.862 -6.240 1.00 0.00 C ATOM 1217 CG1 VAL A 77 9.544 -4.004 -4.994 1.00 0.00 C ATOM 1218 CG2 VAL A 77 8.679 -4.942 -7.227 1.00 0.00 C ATOM 0 H VAL A 77 10.486 -2.777 -7.732 1.00 0.00 H new ATOM 0 HA VAL A 77 12.010 -4.543 -6.032 1.00 0.00 H new ATOM 0 HB VAL A 77 9.961 -5.903 -5.934 1.00 0.00 H new ATOM 0 HG11 VAL A 77 8.556 -4.265 -4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 77 10.291 -4.193 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.561 -2.948 -5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 77 7.765 -5.181 -6.683 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.561 -3.983 -7.731 1.00 0.00 H new ATOM 0 HG23 VAL A 77 8.874 -5.719 -7.966 1.00 0.00 H new ATOM 1228 N CYS A 78 12.088 -5.388 -9.063 1.00 0.00 N ATOM 1229 CA CYS A 78 12.709 -6.404 -9.959 1.00 0.00 C ATOM 1230 C CYS A 78 14.082 -6.990 -9.479 1.00 0.00 C ATOM 1231 O CYS A 78 14.361 -8.165 -9.728 1.00 0.00 O ATOM 1232 CB CYS A 78 12.807 -5.824 -11.385 1.00 0.00 C ATOM 1233 SG CYS A 78 13.330 -7.100 -12.578 1.00 0.00 S ATOM 0 H CYS A 78 11.932 -4.483 -9.508 1.00 0.00 H new ATOM 0 HA CYS A 78 12.048 -7.270 -9.937 1.00 0.00 H new ATOM 0 HB2 CYS A 78 11.840 -5.418 -11.683 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.518 -4.998 -11.397 1.00 0.00 H new ATOM 0 HG CYS A 78 13.956 -8.050 -11.950 1.00 0.00 H new ATOM 1239 N THR A 79 14.895 -6.186 -8.765 1.00 0.00 N ATOM 1240 CA THR A 79 16.109 -6.648 -8.029 1.00 0.00 C ATOM 1241 C THR A 79 15.873 -7.347 -6.639 1.00 0.00 C ATOM 1242 O THR A 79 16.847 -7.830 -6.052 1.00 0.00 O ATOM 1243 CB THR A 79 17.053 -5.419 -7.816 1.00 0.00 C ATOM 1244 OG1 THR A 79 16.370 -4.399 -7.086 1.00 0.00 O ATOM 1245 CG2 THR A 79 17.609 -4.781 -9.092 1.00 0.00 C ATOM 0 H THR A 79 14.733 -5.183 -8.677 1.00 0.00 H new ATOM 0 HA THR A 79 16.539 -7.427 -8.659 1.00 0.00 H new ATOM 0 HB THR A 79 17.905 -5.828 -7.273 1.00 0.00 H new ATOM 0 HG1 THR A 79 16.821 -3.540 -7.225 1.00 0.00 H new ATOM 0 HG21 THR A 79 18.250 -3.939 -8.829 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.189 -5.520 -9.645 1.00 0.00 H new ATOM 0 HG23 THR A 79 16.784 -4.429 -9.712 1.00 0.00 H new ATOM 1253 N MET A 80 14.633 -7.385 -6.101 1.00 0.00 N ATOM 1254 CA MET A 80 14.358 -7.730 -4.677 1.00 0.00 C ATOM 1255 C MET A 80 13.670 -9.118 -4.542 1.00 0.00 C ATOM 1256 O MET A 80 12.665 -9.386 -5.203 1.00 0.00 O ATOM 1257 CB MET A 80 13.497 -6.632 -3.994 1.00 0.00 C ATOM 1258 CG MET A 80 14.195 -5.280 -3.735 1.00 0.00 C ATOM 1259 SD MET A 80 13.013 -4.054 -3.127 1.00 0.00 S ATOM 1260 CE MET A 80 12.558 -4.695 -1.501 1.00 0.00 C ATOM 0 H MET A 80 13.791 -7.178 -6.638 1.00 0.00 H new ATOM 0 HA MET A 80 15.321 -7.784 -4.169 1.00 0.00 H new ATOM 0 HB2 MET A 80 12.619 -6.451 -4.614 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.140 -7.021 -3.041 1.00 0.00 H new ATOM 0 HG2 MET A 80 14.996 -5.412 -3.007 1.00 0.00 H new ATOM 0 HG3 MET A 80 14.657 -4.922 -4.655 1.00 0.00 H new ATOM 0 HE1 MET A 80 11.503 -4.968 -1.500 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.160 -5.575 -1.275 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.736 -3.930 -0.745 1.00 0.00 H new ATOM 1270 N ARG A 81 14.214 -9.980 -3.658 1.00 0.00 N ATOM 1271 CA ARG A 81 13.708 -11.368 -3.425 1.00 0.00 C ATOM 1272 C ARG A 81 12.945 -11.497 -2.069 1.00 0.00 C ATOM 1273 O ARG A 81 12.870 -10.543 -1.297 1.00 0.00 O ATOM 1274 CB ARG A 81 14.885 -12.379 -3.567 1.00 0.00 C ATOM 1275 CG ARG A 81 16.040 -12.314 -2.539 1.00 0.00 C ATOM 1276 CD ARG A 81 17.183 -11.362 -2.937 1.00 0.00 C ATOM 1277 NE ARG A 81 18.328 -11.532 -2.017 1.00 0.00 N ATOM 1278 CZ ARG A 81 19.606 -11.249 -2.329 1.00 0.00 C ATOM 1279 NH1 ARG A 81 19.988 -10.657 -3.459 1.00 0.00 N ATOM 1280 NH2 ARG A 81 20.540 -11.579 -1.460 1.00 0.00 N ATOM 0 H ARG A 81 15.019 -9.742 -3.079 1.00 0.00 H new ATOM 0 HA ARG A 81 12.967 -11.609 -4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 81 14.465 -13.384 -3.531 1.00 0.00 H new ATOM 0 HB3 ARG A 81 15.316 -12.249 -4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 81 15.638 -11.999 -1.576 1.00 0.00 H new ATOM 0 HG3 ARG A 81 16.447 -13.316 -2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 81 17.496 -11.565 -3.961 1.00 0.00 H new ATOM 0 HD3 ARG A 81 16.834 -10.330 -2.909 1.00 0.00 H new ATOM 0 HE ARG A 81 18.136 -11.889 -1.081 1.00 0.00 H new ATOM 0 HH11 ARG A 81 19.292 -10.388 -4.154 1.00 0.00 H new ATOM 0 HH12 ARG A 81 20.977 -10.473 -3.629 1.00 0.00 H new ATOM 0 HH21 ARG A 81 20.284 -12.034 -0.584 1.00 0.00 H new ATOM 0 HH22 ARG A 81 21.519 -11.380 -1.664 1.00 0.00 H new ATOM 1294 N GLU A 82 12.384 -12.689 -1.770 1.00 0.00 N ATOM 1295 CA GLU A 82 11.517 -12.929 -0.576 1.00 0.00 C ATOM 1296 C GLU A 82 12.277 -12.715 0.767 1.00 0.00 C ATOM 1297 O GLU A 82 13.125 -13.526 1.157 1.00 0.00 O ATOM 1298 CB GLU A 82 10.896 -14.357 -0.608 1.00 0.00 C ATOM 1299 CG GLU A 82 10.019 -14.736 -1.825 1.00 0.00 C ATOM 1300 CD GLU A 82 10.802 -15.331 -3.004 1.00 0.00 C ATOM 1301 OE1 GLU A 82 11.085 -16.549 -2.990 1.00 0.00 O ATOM 1302 OE2 GLU A 82 11.145 -14.583 -3.946 1.00 0.00 O ATOM 0 H GLU A 82 12.515 -13.520 -2.347 1.00 0.00 H new ATOM 0 HA GLU A 82 10.718 -12.190 -0.627 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.711 -15.078 -0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 82 10.292 -14.480 0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.264 -15.454 -1.505 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.488 -13.847 -2.167 1.00 0.00 H new ATOM 1309 N GLY A 83 11.980 -11.590 1.438 1.00 0.00 N ATOM 1310 CA GLY A 83 12.760 -11.141 2.622 1.00 0.00 C ATOM 1311 C GLY A 83 13.904 -10.108 2.408 1.00 0.00 C ATOM 1312 O GLY A 83 14.714 -9.931 3.321 1.00 0.00 O ATOM 0 H GLY A 83 11.209 -10.971 1.188 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.058 -10.715 3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.195 -12.025 3.088 1.00 0.00 H new ATOM 1316 N GLU A 84 13.966 -9.419 1.252 1.00 0.00 N ATOM 1317 CA GLU A 84 14.967 -8.373 0.938 1.00 0.00 C ATOM 1318 C GLU A 84 14.453 -6.987 1.385 1.00 0.00 C ATOM 1319 O GLU A 84 13.308 -6.631 1.114 1.00 0.00 O ATOM 1320 CB GLU A 84 15.194 -8.426 -0.604 1.00 0.00 C ATOM 1321 CG GLU A 84 16.195 -7.425 -1.218 1.00 0.00 C ATOM 1322 CD GLU A 84 17.613 -7.622 -0.736 1.00 0.00 C ATOM 1323 OE1 GLU A 84 17.872 -7.247 0.422 1.00 0.00 O ATOM 1324 OE2 GLU A 84 18.468 -8.142 -1.486 1.00 0.00 O ATOM 0 H GLU A 84 13.306 -9.576 0.490 1.00 0.00 H new ATOM 0 HA GLU A 84 15.904 -8.544 1.467 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.527 -9.432 -0.859 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.230 -8.276 -1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.172 -7.519 -2.304 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.876 -6.411 -0.979 1.00 0.00 H new ATOM 1331 N ILE A 85 15.318 -6.197 2.040 1.00 0.00 N ATOM 1332 CA ILE A 85 14.944 -4.858 2.553 1.00 0.00 C ATOM 1333 C ILE A 85 15.953 -3.882 1.903 1.00 0.00 C ATOM 1334 O ILE A 85 17.140 -3.903 2.240 1.00 0.00 O ATOM 1335 CB ILE A 85 14.917 -4.811 4.123 1.00 0.00 C ATOM 1336 CG1 ILE A 85 14.054 -5.916 4.816 1.00 0.00 C ATOM 1337 CG2 ILE A 85 14.410 -3.436 4.606 1.00 0.00 C ATOM 1338 CD1 ILE A 85 14.820 -7.201 5.166 1.00 0.00 C ATOM 0 H ILE A 85 16.285 -6.458 2.230 1.00 0.00 H new ATOM 0 HA ILE A 85 13.925 -4.579 2.285 1.00 0.00 H new ATOM 0 HB ILE A 85 15.951 -4.996 4.414 1.00 0.00 H new ATOM 0 HG12 ILE A 85 13.626 -5.504 5.730 1.00 0.00 H new ATOM 0 HG13 ILE A 85 13.221 -6.172 4.161 1.00 0.00 H new ATOM 0 HG21 ILE A 85 14.396 -3.416 5.696 1.00 0.00 H new ATOM 0 HG22 ILE A 85 15.073 -2.654 4.237 1.00 0.00 H new ATOM 0 HG23 ILE A 85 13.402 -3.266 4.227 1.00 0.00 H new ATOM 0 HD11 ILE A 85 14.143 -7.910 5.642 1.00 0.00 H new ATOM 0 HD12 ILE A 85 15.226 -7.642 4.256 1.00 0.00 H new ATOM 0 HD13 ILE A 85 15.636 -6.964 5.849 1.00 0.00 H new ATOM 1350 N ALA A 86 15.459 -3.042 0.977 1.00 0.00 N ATOM 1351 CA ALA A 86 16.294 -2.066 0.243 1.00 0.00 C ATOM 1352 C ALA A 86 15.602 -0.683 0.182 1.00 0.00 C ATOM 1353 O ALA A 86 14.423 -0.557 -0.165 1.00 0.00 O ATOM 1354 CB ALA A 86 16.611 -2.618 -1.157 1.00 0.00 C ATOM 0 H ALA A 86 14.474 -3.018 0.715 1.00 0.00 H new ATOM 0 HA ALA A 86 17.235 -1.920 0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 86 17.226 -1.901 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 86 17.150 -3.561 -1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.682 -2.784 -1.702 1.00 0.00 H new ATOM 1360 N GLN A 87 16.386 0.350 0.538 1.00 0.00 N ATOM 1361 CA GLN A 87 15.909 1.746 0.693 1.00 0.00 C ATOM 1362 C GLN A 87 16.738 2.657 -0.229 1.00 0.00 C ATOM 1363 O GLN A 87 17.971 2.688 -0.139 1.00 0.00 O ATOM 1364 CB GLN A 87 16.002 2.103 2.202 1.00 0.00 C ATOM 1365 CG GLN A 87 15.720 3.550 2.661 1.00 0.00 C ATOM 1366 CD GLN A 87 16.920 4.503 2.571 1.00 0.00 C ATOM 1367 OE1 GLN A 87 17.832 4.493 3.398 1.00 0.00 O ATOM 1368 NE2 GLN A 87 16.914 5.340 1.556 1.00 0.00 N ATOM 0 H GLN A 87 17.382 0.243 0.730 1.00 0.00 H new ATOM 0 HA GLN A 87 14.870 1.881 0.391 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.310 1.451 2.735 1.00 0.00 H new ATOM 0 HB3 GLN A 87 17.006 1.844 2.537 1.00 0.00 H new ATOM 0 HG2 GLN A 87 14.907 3.955 2.058 1.00 0.00 H new ATOM 0 HG3 GLN A 87 15.370 3.526 3.693 1.00 0.00 H new ATOM 0 HE21 GLN A 87 16.144 5.325 0.887 1.00 0.00 H new ATOM 0 HE22 GLN A 87 17.679 6.004 1.438 1.00 0.00 H new ATOM 1377 N PHE A 88 16.041 3.399 -1.118 1.00 0.00 N ATOM 1378 CA PHE A 88 16.697 4.104 -2.244 1.00 0.00 C ATOM 1379 C PHE A 88 15.765 5.091 -3.002 1.00 0.00 C ATOM 1380 O PHE A 88 14.540 4.940 -3.027 1.00 0.00 O ATOM 1381 CB PHE A 88 17.341 3.085 -3.219 1.00 0.00 C ATOM 1382 CG PHE A 88 16.456 2.026 -3.902 1.00 0.00 C ATOM 1383 CD1 PHE A 88 15.868 2.290 -5.144 1.00 0.00 C ATOM 1384 CD2 PHE A 88 16.404 0.727 -3.382 1.00 0.00 C ATOM 1385 CE1 PHE A 88 15.351 1.251 -5.907 1.00 0.00 C ATOM 1386 CE2 PHE A 88 15.841 -0.302 -4.126 1.00 0.00 C ATOM 1387 CZ PHE A 88 15.357 -0.045 -5.404 1.00 0.00 C ATOM 0 H PHE A 88 15.030 3.525 -1.079 1.00 0.00 H new ATOM 0 HA PHE A 88 17.477 4.724 -1.801 1.00 0.00 H new ATOM 0 HB2 PHE A 88 17.836 3.654 -4.006 1.00 0.00 H new ATOM 0 HB3 PHE A 88 18.120 2.555 -2.670 1.00 0.00 H new ATOM 0 HD1 PHE A 88 15.816 3.305 -5.510 1.00 0.00 H new ATOM 0 HD2 PHE A 88 16.803 0.524 -2.399 1.00 0.00 H new ATOM 0 HE1 PHE A 88 14.946 1.449 -6.888 1.00 0.00 H new ATOM 0 HE2 PHE A 88 15.779 -1.298 -3.713 1.00 0.00 H new ATOM 0 HZ PHE A 88 14.983 -0.857 -6.010 1.00 0.00 H new ATOM 1397 N LEU A 89 16.401 6.066 -3.681 1.00 0.00 N ATOM 1398 CA LEU A 89 15.701 7.092 -4.503 1.00 0.00 C ATOM 1399 C LEU A 89 15.415 6.649 -5.969 1.00 0.00 C ATOM 1400 O LEU A 89 16.079 5.764 -6.519 1.00 0.00 O ATOM 1401 CB LEU A 89 16.420 8.479 -4.416 1.00 0.00 C ATOM 1402 CG LEU A 89 17.917 8.615 -4.835 1.00 0.00 C ATOM 1403 CD1 LEU A 89 18.149 8.568 -6.360 1.00 0.00 C ATOM 1404 CD2 LEU A 89 18.505 9.929 -4.279 1.00 0.00 C ATOM 0 H LEU A 89 17.416 6.171 -3.680 1.00 0.00 H new ATOM 0 HA LEU A 89 14.711 7.207 -4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 89 15.849 9.178 -5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 89 16.341 8.820 -3.384 1.00 0.00 H new ATOM 0 HG LEU A 89 18.423 7.748 -4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 89 19.214 8.669 -6.569 1.00 0.00 H new ATOM 0 HD12 LEU A 89 17.790 7.617 -6.753 1.00 0.00 H new ATOM 0 HD13 LEU A 89 17.607 9.385 -6.836 1.00 0.00 H new ATOM 0 HD21 LEU A 89 19.550 10.015 -4.577 1.00 0.00 H new ATOM 0 HD22 LEU A 89 17.944 10.775 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 89 18.437 9.927 -3.191 1.00 0.00 H new ATOM 1416 N CYS A 90 14.437 7.331 -6.601 1.00 0.00 N ATOM 1417 CA CYS A 90 14.214 7.261 -8.067 1.00 0.00 C ATOM 1418 C CYS A 90 14.038 8.690 -8.642 1.00 0.00 C ATOM 1419 O CYS A 90 13.331 9.520 -8.060 1.00 0.00 O ATOM 1420 CB CYS A 90 12.966 6.422 -8.398 1.00 0.00 C ATOM 1421 SG CYS A 90 13.054 4.772 -7.627 1.00 0.00 S ATOM 0 H CYS A 90 13.781 7.943 -6.116 1.00 0.00 H new ATOM 0 HA CYS A 90 15.084 6.784 -8.519 1.00 0.00 H new ATOM 0 HB2 CYS A 90 12.073 6.941 -8.050 1.00 0.00 H new ATOM 0 HB3 CYS A 90 12.872 6.316 -9.479 1.00 0.00 H new ATOM 0 HG CYS A 90 12.598 3.881 -8.456 1.00 0.00 H new ATOM 1427 N ASP A 91 14.631 8.947 -9.827 1.00 0.00 N ATOM 1428 CA ASP A 91 14.532 10.255 -10.535 1.00 0.00 C ATOM 1429 C ASP A 91 13.068 10.612 -10.937 1.00 0.00 C ATOM 1430 O ASP A 91 12.273 9.727 -11.264 1.00 0.00 O ATOM 1431 CB ASP A 91 15.504 10.222 -11.747 1.00 0.00 C ATOM 1432 CG ASP A 91 15.819 11.596 -12.358 1.00 0.00 C ATOM 1433 OD1 ASP A 91 16.690 12.311 -11.815 1.00 0.00 O ATOM 1434 OD2 ASP A 91 15.193 11.969 -13.374 1.00 0.00 O ATOM 0 H ASP A 91 15.194 8.258 -10.326 1.00 0.00 H new ATOM 0 HA ASP A 91 14.828 11.058 -9.860 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.438 9.757 -11.433 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.076 9.585 -12.521 1.00 0.00 H new ATOM 1439 N ILE A 92 12.730 11.917 -10.893 1.00 0.00 N ATOM 1440 CA ILE A 92 11.366 12.430 -11.224 1.00 0.00 C ATOM 1441 C ILE A 92 10.791 12.112 -12.636 1.00 0.00 C ATOM 1442 O ILE A 92 9.571 12.029 -12.750 1.00 0.00 O ATOM 1443 CB ILE A 92 11.106 13.944 -10.864 1.00 0.00 C ATOM 1444 CG1 ILE A 92 12.317 14.858 -10.527 1.00 0.00 C ATOM 1445 CG2 ILE A 92 10.042 14.038 -9.750 1.00 0.00 C ATOM 1446 CD1 ILE A 92 13.247 15.173 -11.702 1.00 0.00 C ATOM 0 H ILE A 92 13.387 12.651 -10.629 1.00 0.00 H new ATOM 0 HA ILE A 92 10.795 11.808 -10.535 1.00 0.00 H new ATOM 0 HB ILE A 92 10.766 14.359 -11.813 1.00 0.00 H new ATOM 0 HG12 ILE A 92 11.940 15.797 -10.121 1.00 0.00 H new ATOM 0 HG13 ILE A 92 12.902 14.382 -9.740 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.865 15.085 -9.504 1.00 0.00 H new ATOM 0 HG22 ILE A 92 9.113 13.584 -10.095 1.00 0.00 H new ATOM 0 HG23 ILE A 92 10.396 13.512 -8.864 1.00 0.00 H new ATOM 0 HD11 ILE A 92 14.058 15.816 -11.362 1.00 0.00 H new ATOM 0 HD12 ILE A 92 13.661 14.245 -12.097 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.685 15.682 -12.485 1.00 0.00 H new ATOM 1458 N LYS A 93 11.608 11.878 -13.676 1.00 0.00 N ATOM 1459 CA LYS A 93 11.135 11.220 -14.939 1.00 0.00 C ATOM 1460 C LYS A 93 10.378 9.847 -14.802 1.00 0.00 C ATOM 1461 O LYS A 93 9.539 9.523 -15.647 1.00 0.00 O ATOM 1462 CB LYS A 93 12.319 11.125 -15.945 1.00 0.00 C ATOM 1463 CG LYS A 93 13.415 10.076 -15.625 1.00 0.00 C ATOM 1464 CD LYS A 93 14.731 10.199 -16.422 1.00 0.00 C ATOM 1465 CE LYS A 93 14.701 9.730 -17.892 1.00 0.00 C ATOM 1466 NZ LYS A 93 14.061 10.692 -18.810 1.00 0.00 N ATOM 0 H LYS A 93 12.597 12.127 -13.683 1.00 0.00 H new ATOM 0 HA LYS A 93 10.348 11.875 -15.313 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.912 10.903 -16.931 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.792 12.105 -16.009 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.651 10.140 -14.563 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.000 9.083 -15.800 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.042 11.244 -16.405 1.00 0.00 H new ATOM 0 HD3 LYS A 93 15.499 9.629 -15.899 1.00 0.00 H new ATOM 0 HE2 LYS A 93 15.722 9.547 -18.226 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.171 8.779 -17.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.377 10.506 -19.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 13.028 10.589 -18.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.327 11.660 -18.539 1.00 0.00 H new ATOM 1480 N HIS A 94 10.687 9.068 -13.747 1.00 0.00 N ATOM 1481 CA HIS A 94 10.022 7.785 -13.409 1.00 0.00 C ATOM 1482 C HIS A 94 8.877 8.001 -12.366 1.00 0.00 C ATOM 1483 O HIS A 94 7.804 7.414 -12.539 1.00 0.00 O ATOM 1484 CB HIS A 94 11.066 6.755 -12.894 1.00 0.00 C ATOM 1485 CG HIS A 94 12.293 6.491 -13.776 1.00 0.00 C ATOM 1486 ND1 HIS A 94 12.316 5.708 -14.917 1.00 0.00 N ATOM 1487 CD2 HIS A 94 13.557 7.056 -13.557 1.00 0.00 C ATOM 1488 CE1 HIS A 94 13.625 5.878 -15.286 1.00 0.00 C ATOM 1489 NE2 HIS A 94 14.455 6.676 -14.538 1.00 0.00 N ATOM 0 H HIS A 94 11.424 9.316 -13.087 1.00 0.00 H new ATOM 0 HA HIS A 94 9.566 7.385 -14.315 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.418 7.092 -11.919 1.00 0.00 H new ATOM 0 HB3 HIS A 94 10.554 5.806 -12.737 1.00 0.00 H new ATOM 0 HD2 HIS A 94 13.799 7.705 -12.728 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.005 5.383 -16.168 1.00 0.00 H new ATOM 0 HE2 HIS A 94 15.438 6.916 -14.667 1.00 0.00 H new ATOM 1497 N VAL A 95 9.085 8.830 -11.308 1.00 0.00 N ATOM 1498 CA VAL A 95 8.036 9.154 -10.289 1.00 0.00 C ATOM 1499 C VAL A 95 7.143 10.405 -10.635 1.00 0.00 C ATOM 1500 O VAL A 95 6.502 10.967 -9.743 1.00 0.00 O ATOM 1501 CB VAL A 95 8.677 9.206 -8.855 1.00 0.00 C ATOM 1502 CG1 VAL A 95 9.387 7.892 -8.463 1.00 0.00 C ATOM 1503 CG2 VAL A 95 9.626 10.389 -8.572 1.00 0.00 C ATOM 0 H VAL A 95 9.977 9.293 -11.133 1.00 0.00 H new ATOM 0 HA VAL A 95 7.313 8.338 -10.306 1.00 0.00 H new ATOM 0 HB VAL A 95 7.798 9.360 -8.229 1.00 0.00 H new ATOM 0 HG11 VAL A 95 9.809 7.991 -7.463 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.668 7.073 -8.474 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.186 7.684 -9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.005 10.316 -7.552 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.461 10.361 -9.272 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.084 11.327 -8.691 1.00 0.00 H new ATOM 1513 N VAL A 96 7.041 10.798 -11.925 1.00 0.00 N ATOM 1514 CA VAL A 96 6.137 11.884 -12.417 1.00 0.00 C ATOM 1515 C VAL A 96 4.615 11.555 -12.253 1.00 0.00 C ATOM 1516 O VAL A 96 3.842 12.427 -11.848 1.00 0.00 O ATOM 1517 CB VAL A 96 6.597 12.357 -13.858 1.00 0.00 C ATOM 1518 CG1 VAL A 96 5.571 12.288 -15.016 1.00 0.00 C ATOM 1519 CG2 VAL A 96 7.199 13.783 -13.838 1.00 0.00 C ATOM 0 H VAL A 96 7.589 10.369 -12.671 1.00 0.00 H new ATOM 0 HA VAL A 96 6.243 12.753 -11.768 1.00 0.00 H new ATOM 0 HB VAL A 96 7.341 11.594 -14.088 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.035 12.645 -15.935 1.00 0.00 H new ATOM 0 HG12 VAL A 96 5.244 11.257 -15.151 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.711 12.913 -14.778 1.00 0.00 H new ATOM 0 HG21 VAL A 96 7.500 14.065 -14.847 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.453 14.488 -13.472 1.00 0.00 H new ATOM 0 HG23 VAL A 96 8.069 13.802 -13.181 1.00 0.00 H new ATOM 1529 N LEU A 97 4.223 10.310 -12.581 1.00 0.00 N ATOM 1530 CA LEU A 97 2.861 9.770 -12.322 1.00 0.00 C ATOM 1531 C LEU A 97 2.685 8.920 -11.019 1.00 0.00 C ATOM 1532 O LEU A 97 1.625 8.319 -10.841 1.00 0.00 O ATOM 1533 CB LEU A 97 2.363 9.024 -13.597 1.00 0.00 C ATOM 1534 CG LEU A 97 3.185 7.773 -14.051 1.00 0.00 C ATOM 1535 CD1 LEU A 97 2.283 6.563 -14.354 1.00 0.00 C ATOM 1536 CD2 LEU A 97 4.110 8.068 -15.248 1.00 0.00 C ATOM 0 H LEU A 97 4.842 9.640 -13.037 1.00 0.00 H new ATOM 0 HA LEU A 97 2.228 10.632 -12.113 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.333 8.710 -13.426 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.346 9.736 -14.422 1.00 0.00 H new ATOM 0 HG LEU A 97 3.820 7.518 -13.202 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.899 5.719 -14.665 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.723 6.293 -13.458 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.587 6.819 -15.153 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.655 7.163 -15.518 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.512 8.399 -16.097 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.818 8.851 -14.976 1.00 0.00 H new ATOM 1548 N TYR A 98 3.636 8.935 -10.062 1.00 0.00 N ATOM 1549 CA TYR A 98 3.381 8.516 -8.660 1.00 0.00 C ATOM 1550 C TYR A 98 2.252 9.319 -7.915 1.00 0.00 C ATOM 1551 O TYR A 98 1.404 8.629 -7.341 1.00 0.00 O ATOM 1552 CB TYR A 98 4.727 8.491 -7.882 1.00 0.00 C ATOM 1553 CG TYR A 98 4.618 8.053 -6.405 1.00 0.00 C ATOM 1554 CD1 TYR A 98 4.089 6.801 -6.065 1.00 0.00 C ATOM 1555 CD2 TYR A 98 4.855 8.993 -5.395 1.00 0.00 C ATOM 1556 CE1 TYR A 98 3.755 6.516 -4.744 1.00 0.00 C ATOM 1557 CE2 TYR A 98 4.539 8.697 -4.074 1.00 0.00 C ATOM 1558 CZ TYR A 98 3.971 7.467 -3.750 1.00 0.00 C ATOM 1559 OH TYR A 98 3.608 7.195 -2.455 1.00 0.00 O ATOM 0 H TYR A 98 4.596 9.235 -10.233 1.00 0.00 H new ATOM 0 HA TYR A 98 2.966 7.509 -8.699 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.414 7.818 -8.395 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.169 9.487 -7.919 1.00 0.00 H new ATOM 0 HD1 TYR A 98 3.940 6.054 -6.831 1.00 0.00 H new ATOM 0 HD2 TYR A 98 5.285 9.952 -5.643 1.00 0.00 H new ATOM 0 HE1 TYR A 98 3.328 5.557 -4.490 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.734 9.422 -3.298 1.00 0.00 H new ATOM 0 HH TYR A 98 3.675 6.231 -2.292 1.00 0.00 H new ATOM 1569 N PRO A 99 2.163 10.682 -7.863 1.00 0.00 N ATOM 1570 CA PRO A 99 0.987 11.388 -7.285 1.00 0.00 C ATOM 1571 C PRO A 99 -0.369 11.295 -8.058 1.00 0.00 C ATOM 1572 O PRO A 99 -1.382 11.744 -7.522 1.00 0.00 O ATOM 1573 CB PRO A 99 1.514 12.829 -7.187 1.00 0.00 C ATOM 1574 CG PRO A 99 2.498 12.984 -8.344 1.00 0.00 C ATOM 1575 CD PRO A 99 3.098 11.598 -8.538 1.00 0.00 C ATOM 0 HA PRO A 99 0.682 10.925 -6.346 1.00 0.00 H new ATOM 0 HB2 PRO A 99 0.701 13.550 -7.265 1.00 0.00 H new ATOM 0 HB3 PRO A 99 2.004 13.003 -6.229 1.00 0.00 H new ATOM 0 HG2 PRO A 99 1.994 13.326 -9.248 1.00 0.00 H new ATOM 0 HG3 PRO A 99 3.269 13.719 -8.111 1.00 0.00 H new ATOM 0 HD2 PRO A 99 3.195 11.354 -9.596 1.00 0.00 H new ATOM 0 HD3 PRO A 99 4.096 11.535 -8.103 1.00 0.00 H new ATOM 1583 N LEU A 100 -0.395 10.717 -9.276 1.00 0.00 N ATOM 1584 CA LEU A 100 -1.643 10.379 -10.009 1.00 0.00 C ATOM 1585 C LEU A 100 -2.155 8.942 -9.643 1.00 0.00 C ATOM 1586 O LEU A 100 -3.353 8.759 -9.413 1.00 0.00 O ATOM 1587 CB LEU A 100 -1.442 10.531 -11.550 1.00 0.00 C ATOM 1588 CG LEU A 100 -0.710 11.793 -12.102 1.00 0.00 C ATOM 1589 CD1 LEU A 100 -0.715 11.801 -13.643 1.00 0.00 C ATOM 1590 CD2 LEU A 100 -1.233 13.131 -11.548 1.00 0.00 C ATOM 0 H LEU A 100 0.452 10.468 -9.786 1.00 0.00 H new ATOM 0 HA LEU A 100 -2.411 11.087 -9.697 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.893 9.656 -11.897 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.427 10.494 -12.014 1.00 0.00 H new ATOM 0 HG LEU A 100 0.315 11.711 -11.741 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.199 12.691 -14.004 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -0.206 10.911 -14.013 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.744 11.807 -14.003 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.666 13.953 -11.986 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.288 13.242 -11.801 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -1.116 13.147 -10.464 1.00 0.00 H new ATOM 1602 N VAL A 101 -1.246 7.942 -9.591 1.00 0.00 N ATOM 1603 CA VAL A 101 -1.550 6.528 -9.206 1.00 0.00 C ATOM 1604 C VAL A 101 -1.756 6.300 -7.679 1.00 0.00 C ATOM 1605 O VAL A 101 -2.499 5.391 -7.316 1.00 0.00 O ATOM 1606 CB VAL A 101 -0.466 5.552 -9.778 1.00 0.00 C ATOM 1607 CG1 VAL A 101 -0.737 4.058 -9.440 1.00 0.00 C ATOM 1608 CG2 VAL A 101 -0.304 5.703 -11.308 1.00 0.00 C ATOM 0 H VAL A 101 -0.262 8.088 -9.817 1.00 0.00 H new ATOM 0 HA VAL A 101 -2.516 6.306 -9.659 1.00 0.00 H new ATOM 0 HB VAL A 101 0.460 5.844 -9.283 1.00 0.00 H new ATOM 0 HG11 VAL A 101 0.052 3.439 -9.867 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -0.755 3.927 -8.358 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.698 3.759 -9.858 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.457 5.008 -11.664 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.253 5.484 -11.798 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -0.002 6.724 -11.543 1.00 0.00 H new ATOM 1618 N ALA A 102 -1.144 7.102 -6.796 1.00 0.00 N ATOM 1619 CA ALA A 102 -1.594 7.253 -5.385 1.00 0.00 C ATOM 1620 C ALA A 102 -3.114 7.530 -5.152 1.00 0.00 C ATOM 1621 O ALA A 102 -3.662 7.055 -4.153 1.00 0.00 O ATOM 1622 CB ALA A 102 -0.778 8.384 -4.745 1.00 0.00 C ATOM 0 H ALA A 102 -0.326 7.666 -7.028 1.00 0.00 H new ATOM 0 HA ALA A 102 -1.428 6.278 -4.927 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -1.089 8.515 -3.709 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.282 8.131 -4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.946 9.310 -5.295 1.00 0.00 H new ATOM 1628 N LYS A 103 -3.786 8.239 -6.087 1.00 0.00 N ATOM 1629 CA LYS A 103 -5.272 8.332 -6.125 1.00 0.00 C ATOM 1630 C LYS A 103 -6.023 7.100 -6.770 1.00 0.00 C ATOM 1631 O LYS A 103 -7.201 7.216 -7.127 1.00 0.00 O ATOM 1632 CB LYS A 103 -5.672 9.667 -6.826 1.00 0.00 C ATOM 1633 CG LYS A 103 -5.562 10.968 -5.998 1.00 0.00 C ATOM 1634 CD LYS A 103 -4.126 11.455 -5.713 1.00 0.00 C ATOM 1635 CE LYS A 103 -3.915 12.978 -5.836 1.00 0.00 C ATOM 1636 NZ LYS A 103 -4.563 13.737 -4.754 1.00 0.00 N ATOM 0 H LYS A 103 -3.323 8.760 -6.832 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.604 8.315 -5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -5.051 9.780 -7.714 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -6.703 9.572 -7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.097 11.759 -6.523 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -6.071 10.816 -5.046 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.847 11.145 -4.706 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -3.445 10.953 -6.401 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -2.846 13.193 -5.834 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.306 13.317 -6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -4.033 14.614 -4.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -5.538 13.971 -5.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -4.577 13.163 -3.887 1.00 0.00 H new ATOM 1650 N SER A 104 -5.387 5.917 -6.881 1.00 0.00 N ATOM 1651 CA SER A 104 -6.022 4.654 -7.355 1.00 0.00 C ATOM 1652 C SER A 104 -5.496 3.394 -6.600 1.00 0.00 C ATOM 1653 O SER A 104 -6.303 2.525 -6.264 1.00 0.00 O ATOM 1654 CB SER A 104 -5.854 4.465 -8.882 1.00 0.00 C ATOM 1655 OG SER A 104 -6.530 5.483 -9.610 1.00 0.00 O ATOM 0 H SER A 104 -4.402 5.802 -6.642 1.00 0.00 H new ATOM 0 HA SER A 104 -7.084 4.755 -7.130 1.00 0.00 H new ATOM 0 HB2 SER A 104 -4.794 4.476 -9.137 1.00 0.00 H new ATOM 0 HB3 SER A 104 -6.242 3.489 -9.174 1.00 0.00 H new ATOM 0 HG SER A 104 -6.404 5.337 -10.571 1.00 0.00 H new ATOM 1661 N LEU A 105 -4.184 3.274 -6.290 1.00 0.00 N ATOM 1662 CA LEU A 105 -3.655 2.285 -5.300 1.00 0.00 C ATOM 1663 C LEU A 105 -4.272 2.345 -3.856 1.00 0.00 C ATOM 1664 O LEU A 105 -4.328 1.319 -3.175 1.00 0.00 O ATOM 1665 CB LEU A 105 -2.096 2.306 -5.357 1.00 0.00 C ATOM 1666 CG LEU A 105 -1.303 3.315 -4.475 1.00 0.00 C ATOM 1667 CD1 LEU A 105 -1.019 2.784 -3.053 1.00 0.00 C ATOM 1668 CD2 LEU A 105 0.030 3.709 -5.146 1.00 0.00 C ATOM 0 H LEU A 105 -3.459 3.854 -6.713 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.005 1.299 -5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.748 1.306 -5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.811 2.486 -6.394 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.944 4.192 -4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.464 3.533 -2.489 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.962 2.574 -2.548 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.431 1.869 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.564 4.414 -4.509 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.641 2.818 -5.292 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -0.172 4.173 -6.111 1.00 0.00 H new ATOM 2135 N ASP A 137 0.947 16.497 0.521 1.00 0.00 N ATOM 2136 CA ASP A 137 2.191 15.720 0.791 1.00 0.00 C ATOM 2137 C ASP A 137 2.744 14.962 -0.457 1.00 0.00 C ATOM 2138 O ASP A 137 3.923 15.120 -0.783 1.00 0.00 O ATOM 2139 CB ASP A 137 1.945 14.724 1.955 1.00 0.00 C ATOM 2140 CG ASP A 137 1.639 15.335 3.331 1.00 0.00 C ATOM 2141 OD1 ASP A 137 2.592 15.718 4.047 1.00 0.00 O ATOM 2142 OD2 ASP A 137 0.447 15.434 3.697 1.00 0.00 O ATOM 0 HA ASP A 137 2.956 16.446 1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 137 1.114 14.075 1.678 1.00 0.00 H new ATOM 0 HB3 ASP A 137 2.826 14.090 2.052 1.00 0.00 H new ATOM 2147 N LEU A 138 1.903 14.161 -1.146 1.00 0.00 N ATOM 2148 CA LEU A 138 2.252 13.546 -2.462 1.00 0.00 C ATOM 2149 C LEU A 138 2.187 14.524 -3.672 1.00 0.00 C ATOM 2150 O LEU A 138 3.037 14.427 -4.562 1.00 0.00 O ATOM 2151 CB LEU A 138 1.428 12.246 -2.693 1.00 0.00 C ATOM 2152 CG LEU A 138 -0.123 12.327 -2.555 1.00 0.00 C ATOM 2153 CD1 LEU A 138 -0.847 12.292 -3.908 1.00 0.00 C ATOM 2154 CD2 LEU A 138 -0.663 11.245 -1.598 1.00 0.00 C ATOM 0 H LEU A 138 0.969 13.919 -0.816 1.00 0.00 H new ATOM 0 HA LEU A 138 3.307 13.278 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 138 1.655 11.880 -3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 138 1.787 11.494 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 138 -0.340 13.301 -2.117 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -1.923 12.352 -3.746 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -0.524 13.137 -4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -0.609 11.362 -4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -1.747 11.331 -1.526 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -0.402 10.258 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -0.222 11.380 -0.610 1.00 0.00 H new ATOM 2166 N ASP A 139 1.235 15.481 -3.679 1.00 0.00 N ATOM 2167 CA ASP A 139 1.192 16.578 -4.694 1.00 0.00 C ATOM 2168 C ASP A 139 2.228 17.742 -4.492 1.00 0.00 C ATOM 2169 O ASP A 139 2.170 18.745 -5.208 1.00 0.00 O ATOM 2170 CB ASP A 139 -0.258 17.129 -4.795 1.00 0.00 C ATOM 2171 CG ASP A 139 -1.355 16.152 -5.266 1.00 0.00 C ATOM 2172 OD1 ASP A 139 -1.107 15.336 -6.183 1.00 0.00 O ATOM 2173 OD2 ASP A 139 -2.478 16.210 -4.720 1.00 0.00 O ATOM 0 H ASP A 139 0.480 15.524 -2.995 1.00 0.00 H new ATOM 0 HA ASP A 139 1.502 16.120 -5.634 1.00 0.00 H new ATOM 0 HB2 ASP A 139 -0.543 17.509 -3.814 1.00 0.00 H new ATOM 0 HB3 ASP A 139 -0.249 17.980 -5.476 1.00 0.00 H new ATOM 2178 N ALA A 140 3.234 17.573 -3.608 1.00 0.00 N ATOM 2179 CA ALA A 140 4.506 18.331 -3.634 1.00 0.00 C ATOM 2180 C ALA A 140 5.330 18.278 -4.958 1.00 0.00 C ATOM 2181 O ALA A 140 5.976 19.277 -5.274 1.00 0.00 O ATOM 2182 CB ALA A 140 5.348 17.802 -2.462 1.00 0.00 C ATOM 0 H ALA A 140 3.186 16.897 -2.845 1.00 0.00 H new ATOM 0 HA ALA A 140 4.249 19.387 -3.553 1.00 0.00 H new ATOM 0 HB1 ALA A 140 6.302 18.328 -2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 140 4.814 17.967 -1.526 1.00 0.00 H new ATOM 0 HB3 ALA A 140 5.526 16.735 -2.595 1.00 0.00 H new ATOM 2188 N LEU A 141 5.301 17.170 -5.733 1.00 0.00 N ATOM 2189 CA LEU A 141 5.909 17.115 -7.098 1.00 0.00 C ATOM 2190 C LEU A 141 5.142 17.887 -8.207 1.00 0.00 C ATOM 2191 O LEU A 141 5.770 18.505 -9.069 1.00 0.00 O ATOM 2192 CB LEU A 141 6.080 15.659 -7.616 1.00 0.00 C ATOM 2193 CG LEU A 141 6.675 14.610 -6.653 1.00 0.00 C ATOM 2194 CD1 LEU A 141 6.618 13.225 -7.311 1.00 0.00 C ATOM 2195 CD2 LEU A 141 8.111 14.944 -6.218 1.00 0.00 C ATOM 0 H LEU A 141 4.864 16.296 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 141 6.869 17.604 -6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 141 5.101 15.301 -7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 141 6.712 15.693 -8.504 1.00 0.00 H new ATOM 0 HG LEU A 141 6.072 14.617 -5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 141 7.038 12.482 -6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 141 5.582 12.970 -7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 141 7.194 13.238 -8.236 1.00 0.00 H new ATOM 0 HD21 LEU A 141 8.476 14.171 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 141 8.755 14.992 -7.096 1.00 0.00 H new ATOM 0 HD23 LEU A 141 8.122 15.907 -5.707 1.00 0.00 H new ATOM 2207 N GLN A 142 3.798 17.838 -8.177 1.00 0.00 N ATOM 2208 CA GLN A 142 2.906 18.676 -9.034 1.00 0.00 C ATOM 2209 C GLN A 142 3.223 20.215 -9.050 1.00 0.00 C ATOM 2210 O GLN A 142 3.143 20.850 -10.104 1.00 0.00 O ATOM 2211 CB GLN A 142 1.431 18.466 -8.592 1.00 0.00 C ATOM 2212 CG GLN A 142 0.880 17.022 -8.555 1.00 0.00 C ATOM 2213 CD GLN A 142 0.567 16.401 -9.923 1.00 0.00 C ATOM 2214 OE1 GLN A 142 -0.516 16.589 -10.477 1.00 0.00 O ATOM 2215 NE2 GLN A 142 1.484 15.631 -10.485 1.00 0.00 N ATOM 0 H GLN A 142 3.285 17.213 -7.555 1.00 0.00 H new ATOM 0 HA GLN A 142 3.087 18.335 -10.053 1.00 0.00 H new ATOM 0 HB2 GLN A 142 1.318 18.892 -7.595 1.00 0.00 H new ATOM 0 HB3 GLN A 142 0.797 19.048 -9.261 1.00 0.00 H new ATOM 0 HG2 GLN A 142 1.605 16.388 -8.044 1.00 0.00 H new ATOM 0 HG3 GLN A 142 -0.030 17.014 -7.955 1.00 0.00 H new ATOM 0 HE21 GLN A 142 2.379 15.481 -10.019 1.00 0.00 H new ATOM 0 HE22 GLN A 142 1.296 15.188 -11.384 1.00 0.00 H new ATOM 2224 N GLN A 143 3.596 20.773 -7.880 1.00 0.00 N ATOM 2225 CA GLN A 143 4.144 22.145 -7.734 1.00 0.00 C ATOM 2226 C GLN A 143 5.691 22.247 -7.914 1.00 0.00 C ATOM 2227 O GLN A 143 6.148 23.254 -8.462 1.00 0.00 O ATOM 2228 CB GLN A 143 3.669 22.767 -6.385 1.00 0.00 C ATOM 2229 CG GLN A 143 3.977 21.985 -5.082 1.00 0.00 C ATOM 2230 CD GLN A 143 3.498 22.684 -3.802 1.00 0.00 C ATOM 2231 OE1 GLN A 143 2.332 22.588 -3.421 1.00 0.00 O ATOM 2232 NE2 GLN A 143 4.382 23.384 -3.107 1.00 0.00 N ATOM 0 H GLN A 143 3.525 20.277 -6.992 1.00 0.00 H new ATOM 0 HA GLN A 143 3.741 22.729 -8.561 1.00 0.00 H new ATOM 0 HB2 GLN A 143 4.117 23.757 -6.296 1.00 0.00 H new ATOM 0 HB3 GLN A 143 2.590 22.910 -6.443 1.00 0.00 H new ATOM 0 HG2 GLN A 143 3.510 21.002 -5.142 1.00 0.00 H new ATOM 0 HG3 GLN A 143 5.053 21.823 -5.014 1.00 0.00 H new ATOM 0 HE21 GLN A 143 5.346 23.456 -3.433 1.00 0.00 H new ATOM 0 HE22 GLN A 143 4.099 23.851 -2.245 1.00 0.00 H new ATOM 2241 N ASN A 144 6.492 21.263 -7.438 1.00 0.00 N ATOM 2242 CA ASN A 144 7.978 21.345 -7.459 1.00 0.00 C ATOM 2243 C ASN A 144 8.563 19.899 -7.571 1.00 0.00 C ATOM 2244 O ASN A 144 8.721 19.253 -6.533 1.00 0.00 O ATOM 2245 CB ASN A 144 8.595 22.204 -6.313 1.00 0.00 C ATOM 2246 CG ASN A 144 8.037 22.079 -4.878 1.00 0.00 C ATOM 2247 OD1 ASN A 144 7.292 22.941 -4.413 1.00 0.00 O ATOM 2248 ND2 ASN A 144 8.363 21.024 -4.156 1.00 0.00 N ATOM 0 H ASN A 144 6.134 20.398 -7.032 1.00 0.00 H new ATOM 0 HA ASN A 144 8.277 21.906 -8.345 1.00 0.00 H new ATOM 0 HB2 ASN A 144 9.659 21.973 -6.270 1.00 0.00 H new ATOM 0 HB3 ASN A 144 8.507 23.250 -6.607 1.00 0.00 H new ATOM 0 HD21 ASN A 144 7.997 20.921 -3.209 1.00 0.00 H new ATOM 0 HD22 ASN A 144 8.981 20.311 -4.544 1.00 0.00 H new ATOM 2255 N PRO A 145 8.894 19.341 -8.774 1.00 0.00 N ATOM 2256 CA PRO A 145 9.343 17.929 -8.915 1.00 0.00 C ATOM 2257 C PRO A 145 10.814 17.682 -8.459 1.00 0.00 C ATOM 2258 O PRO A 145 11.726 18.416 -8.852 1.00 0.00 O ATOM 2259 CB PRO A 145 9.088 17.648 -10.411 1.00 0.00 C ATOM 2260 CG PRO A 145 9.118 19.004 -11.113 1.00 0.00 C ATOM 2261 CD PRO A 145 8.599 19.988 -10.067 1.00 0.00 C ATOM 0 HA PRO A 145 8.806 17.244 -8.259 1.00 0.00 H new ATOM 0 HB2 PRO A 145 9.850 16.983 -10.817 1.00 0.00 H new ATOM 0 HB3 PRO A 145 8.126 17.156 -10.556 1.00 0.00 H new ATOM 0 HG2 PRO A 145 10.127 19.262 -11.435 1.00 0.00 H new ATOM 0 HG3 PRO A 145 8.490 19.004 -12.004 1.00 0.00 H new ATOM 0 HD2 PRO A 145 9.096 20.955 -10.150 1.00 0.00 H new ATOM 0 HD3 PRO A 145 7.531 20.168 -10.186 1.00 0.00 H new ATOM 2269 N GLN A 146 11.022 16.635 -7.631 1.00 0.00 N ATOM 2270 CA GLN A 146 12.364 16.214 -7.147 1.00 0.00 C ATOM 2271 C GLN A 146 12.331 14.680 -6.795 1.00 0.00 C ATOM 2272 O GLN A 146 11.260 14.172 -6.438 1.00 0.00 O ATOM 2273 CB GLN A 146 12.858 17.130 -5.983 1.00 0.00 C ATOM 2274 CG GLN A 146 12.417 16.828 -4.530 1.00 0.00 C ATOM 2275 CD GLN A 146 10.912 16.712 -4.249 1.00 0.00 C ATOM 2276 OE1 GLN A 146 10.414 15.632 -3.939 1.00 0.00 O ATOM 2277 NE2 GLN A 146 10.152 17.789 -4.345 1.00 0.00 N ATOM 0 H GLN A 146 10.264 16.053 -7.276 1.00 0.00 H new ATOM 0 HA GLN A 146 13.106 16.342 -7.935 1.00 0.00 H new ATOM 0 HB2 GLN A 146 13.948 17.121 -6.001 1.00 0.00 H new ATOM 0 HB3 GLN A 146 12.544 18.148 -6.214 1.00 0.00 H new ATOM 0 HG2 GLN A 146 12.888 15.894 -4.224 1.00 0.00 H new ATOM 0 HG3 GLN A 146 12.818 17.612 -3.888 1.00 0.00 H new ATOM 0 HE21 GLN A 146 10.567 18.685 -4.602 1.00 0.00 H new ATOM 0 HE22 GLN A 146 9.151 17.725 -4.162 1.00 0.00 H new ATOM 2286 N PRO A 147 13.446 13.891 -6.829 1.00 0.00 N ATOM 2287 CA PRO A 147 13.420 12.442 -6.485 1.00 0.00 C ATOM 2288 C PRO A 147 13.070 12.169 -4.990 1.00 0.00 C ATOM 2289 O PRO A 147 13.617 12.806 -4.085 1.00 0.00 O ATOM 2290 CB PRO A 147 14.862 12.004 -6.816 1.00 0.00 C ATOM 2291 CG PRO A 147 15.724 13.261 -6.726 1.00 0.00 C ATOM 2292 CD PRO A 147 14.793 14.376 -7.200 1.00 0.00 C ATOM 0 HA PRO A 147 12.649 11.897 -7.029 1.00 0.00 H new ATOM 0 HB2 PRO A 147 15.208 11.244 -6.115 1.00 0.00 H new ATOM 0 HB3 PRO A 147 14.916 11.566 -7.813 1.00 0.00 H new ATOM 0 HG2 PRO A 147 16.071 13.436 -5.708 1.00 0.00 H new ATOM 0 HG3 PRO A 147 16.610 13.185 -7.356 1.00 0.00 H new ATOM 0 HD2 PRO A 147 15.025 15.324 -6.715 1.00 0.00 H new ATOM 0 HD3 PRO A 147 14.878 14.539 -8.274 1.00 0.00 H new ATOM 2300 N LEU A 148 12.144 11.225 -4.770 1.00 0.00 N ATOM 2301 CA LEU A 148 11.715 10.800 -3.404 1.00 0.00 C ATOM 2302 C LEU A 148 12.439 9.479 -2.987 1.00 0.00 C ATOM 2303 O LEU A 148 12.871 8.694 -3.833 1.00 0.00 O ATOM 2304 CB LEU A 148 10.173 10.591 -3.336 1.00 0.00 C ATOM 2305 CG LEU A 148 9.237 11.712 -3.866 1.00 0.00 C ATOM 2306 CD1 LEU A 148 7.835 11.151 -4.168 1.00 0.00 C ATOM 2307 CD2 LEU A 148 9.176 12.915 -2.910 1.00 0.00 C ATOM 0 H LEU A 148 11.665 10.729 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 148 11.989 11.596 -2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 148 9.940 9.680 -3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 148 9.911 10.409 -2.294 1.00 0.00 H new ATOM 0 HG LEU A 148 9.660 12.082 -4.800 1.00 0.00 H new ATOM 0 HD11 LEU A 148 7.195 11.952 -4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 148 7.911 10.369 -4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 148 7.406 10.735 -3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 148 8.510 13.673 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 148 8.800 12.590 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 148 10.174 13.335 -2.790 1.00 0.00 H new ATOM 2319 N ILE A 149 12.508 9.228 -1.668 1.00 0.00 N ATOM 2320 CA ILE A 149 13.084 7.978 -1.080 1.00 0.00 C ATOM 2321 C ILE A 149 11.934 6.950 -0.902 1.00 0.00 C ATOM 2322 O ILE A 149 11.062 7.135 -0.057 1.00 0.00 O ATOM 2323 CB ILE A 149 13.873 8.257 0.252 1.00 0.00 C ATOM 2324 CG1 ILE A 149 15.176 9.085 0.050 1.00 0.00 C ATOM 2325 CG2 ILE A 149 14.201 6.979 1.058 1.00 0.00 C ATOM 2326 CD1 ILE A 149 16.368 8.387 -0.626 1.00 0.00 C ATOM 0 H ILE A 149 12.167 9.883 -0.965 1.00 0.00 H new ATOM 0 HA ILE A 149 13.828 7.560 -1.758 1.00 0.00 H new ATOM 0 HB ILE A 149 13.174 8.859 0.833 1.00 0.00 H new ATOM 0 HG12 ILE A 149 14.925 9.967 -0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 149 15.504 9.438 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 149 14.745 7.249 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 149 13.275 6.472 1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 149 14.814 6.313 0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 149 17.203 9.083 -0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 149 16.667 7.523 -0.033 1.00 0.00 H new ATOM 0 HD13 ILE A 149 16.079 8.060 -1.625 1.00 0.00 H new ATOM 2338 N PHE A 150 12.020 5.838 -1.644 1.00 0.00 N ATOM 2339 CA PHE A 150 11.059 4.713 -1.574 1.00 0.00 C ATOM 2340 C PHE A 150 11.767 3.564 -0.806 1.00 0.00 C ATOM 2341 O PHE A 150 12.602 2.843 -1.366 1.00 0.00 O ATOM 2342 CB PHE A 150 10.681 4.276 -3.022 1.00 0.00 C ATOM 2343 CG PHE A 150 9.847 5.256 -3.866 1.00 0.00 C ATOM 2344 CD1 PHE A 150 10.447 6.388 -4.428 1.00 0.00 C ATOM 2345 CD2 PHE A 150 8.484 5.035 -4.076 1.00 0.00 C ATOM 2346 CE1 PHE A 150 9.679 7.314 -5.124 1.00 0.00 C ATOM 2347 CE2 PHE A 150 7.724 5.954 -4.797 1.00 0.00 C ATOM 2348 CZ PHE A 150 8.319 7.092 -5.318 1.00 0.00 C ATOM 0 H PHE A 150 12.767 5.686 -2.321 1.00 0.00 H new ATOM 0 HA PHE A 150 10.139 4.991 -1.060 1.00 0.00 H new ATOM 0 HB2 PHE A 150 11.605 4.069 -3.562 1.00 0.00 H new ATOM 0 HB3 PHE A 150 10.132 3.337 -2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 150 11.510 6.543 -4.321 1.00 0.00 H new ATOM 0 HD2 PHE A 150 8.016 4.147 -3.677 1.00 0.00 H new ATOM 0 HE1 PHE A 150 10.139 8.209 -5.516 1.00 0.00 H new ATOM 0 HE2 PHE A 150 6.669 5.779 -4.950 1.00 0.00 H new ATOM 0 HZ PHE A 150 7.728 7.805 -5.874 1.00 0.00 H new ATOM 2358 N HIS A 151 11.418 3.400 0.485 1.00 0.00 N ATOM 2359 CA HIS A 151 11.917 2.281 1.321 1.00 0.00 C ATOM 2360 C HIS A 151 10.933 1.093 1.164 1.00 0.00 C ATOM 2361 O HIS A 151 9.920 1.014 1.863 1.00 0.00 O ATOM 2362 CB HIS A 151 12.116 2.770 2.782 1.00 0.00 C ATOM 2363 CG HIS A 151 12.629 1.790 3.858 1.00 0.00 C ATOM 2364 ND1 HIS A 151 13.352 2.206 4.963 1.00 0.00 N ATOM 2365 CD2 HIS A 151 12.363 0.407 3.979 1.00 0.00 C ATOM 2366 CE1 HIS A 151 13.492 1.019 5.628 1.00 0.00 C ATOM 2367 NE2 HIS A 151 12.932 -0.127 5.127 1.00 0.00 N ATOM 0 H HIS A 151 10.787 4.032 0.978 1.00 0.00 H new ATOM 0 HA HIS A 151 12.897 1.929 1.000 1.00 0.00 H new ATOM 0 HB2 HIS A 151 12.809 3.611 2.751 1.00 0.00 H new ATOM 0 HB3 HIS A 151 11.158 3.159 3.127 1.00 0.00 H new ATOM 0 HD2 HIS A 151 11.788 -0.164 3.266 1.00 0.00 H new ATOM 0 HE1 HIS A 151 14.047 0.985 6.554 1.00 0.00 H new ATOM 0 HE2 HIS A 151 12.933 -1.081 5.488 1.00 0.00 H new ATOM 2375 N MET A 152 11.298 0.141 0.293 1.00 0.00 N ATOM 2376 CA MET A 152 10.570 -1.140 0.145 1.00 0.00 C ATOM 2377 C MET A 152 11.127 -2.240 1.093 1.00 0.00 C ATOM 2378 O MET A 152 12.327 -2.303 1.381 1.00 0.00 O ATOM 2379 CB MET A 152 10.601 -1.616 -1.331 1.00 0.00 C ATOM 2380 CG MET A 152 9.497 -1.037 -2.223 1.00 0.00 C ATOM 2381 SD MET A 152 9.571 0.752 -2.391 1.00 0.00 S ATOM 2382 CE MET A 152 8.061 0.969 -3.356 1.00 0.00 C ATOM 0 H MET A 152 12.102 0.231 -0.329 1.00 0.00 H new ATOM 0 HA MET A 152 9.534 -0.962 0.433 1.00 0.00 H new ATOM 0 HB2 MET A 152 11.568 -1.355 -1.761 1.00 0.00 H new ATOM 0 HB3 MET A 152 10.528 -2.703 -1.348 1.00 0.00 H new ATOM 0 HG2 MET A 152 9.566 -1.490 -3.212 1.00 0.00 H new ATOM 0 HG3 MET A 152 8.526 -1.315 -1.812 1.00 0.00 H new ATOM 0 HE1 MET A 152 7.811 2.029 -3.406 1.00 0.00 H new ATOM 0 HE2 MET A 152 8.215 0.584 -4.364 1.00 0.00 H new ATOM 0 HE3 MET A 152 7.244 0.425 -2.881 1.00 0.00 H new ATOM 2392 N GLU A 153 10.220 -3.133 1.533 1.00 0.00 N ATOM 2393 CA GLU A 153 10.566 -4.328 2.329 1.00 0.00 C ATOM 2394 C GLU A 153 9.796 -5.503 1.659 1.00 0.00 C ATOM 2395 O GLU A 153 8.595 -5.662 1.875 1.00 0.00 O ATOM 2396 CB GLU A 153 10.276 -4.024 3.835 1.00 0.00 C ATOM 2397 CG GLU A 153 9.679 -5.166 4.678 1.00 0.00 C ATOM 2398 CD GLU A 153 9.827 -4.967 6.186 1.00 0.00 C ATOM 2399 OE1 GLU A 153 8.985 -4.264 6.788 1.00 0.00 O ATOM 2400 OE2 GLU A 153 10.789 -5.508 6.775 1.00 0.00 O ATOM 0 H GLU A 153 9.221 -3.046 1.346 1.00 0.00 H new ATOM 0 HA GLU A 153 11.618 -4.614 2.336 1.00 0.00 H new ATOM 0 HB2 GLU A 153 11.209 -3.710 4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 153 9.594 -3.175 3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 153 8.621 -5.267 4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 153 10.161 -6.102 4.396 1.00 0.00 H new ATOM 2407 N MET A 154 10.499 -6.351 0.884 1.00 0.00 N ATOM 2408 CA MET A 154 9.929 -7.589 0.303 1.00 0.00 C ATOM 2409 C MET A 154 9.680 -8.678 1.380 1.00 0.00 C ATOM 2410 O MET A 154 10.522 -8.938 2.244 1.00 0.00 O ATOM 2411 CB MET A 154 10.839 -8.083 -0.849 1.00 0.00 C ATOM 2412 CG MET A 154 10.206 -9.140 -1.780 1.00 0.00 C ATOM 2413 SD MET A 154 8.684 -8.551 -2.552 1.00 0.00 S ATOM 2414 CE MET A 154 9.332 -7.276 -3.648 1.00 0.00 C ATOM 0 H MET A 154 11.478 -6.200 0.641 1.00 0.00 H new ATOM 0 HA MET A 154 8.946 -7.365 -0.112 1.00 0.00 H new ATOM 0 HB2 MET A 154 11.136 -7.224 -1.450 1.00 0.00 H new ATOM 0 HB3 MET A 154 11.749 -8.500 -0.418 1.00 0.00 H new ATOM 0 HG2 MET A 154 10.922 -9.413 -2.555 1.00 0.00 H new ATOM 0 HG3 MET A 154 9.995 -10.044 -1.209 1.00 0.00 H new ATOM 0 HE1 MET A 154 8.565 -6.991 -4.368 1.00 0.00 H new ATOM 0 HE2 MET A 154 9.621 -6.404 -3.061 1.00 0.00 H new ATOM 0 HE3 MET A 154 10.203 -7.661 -4.179 1.00 0.00 H new ATOM 2424 N LEU A 155 8.494 -9.288 1.281 1.00 0.00 N ATOM 2425 CA LEU A 155 8.067 -10.443 2.117 1.00 0.00 C ATOM 2426 C LEU A 155 7.801 -11.689 1.222 1.00 0.00 C ATOM 2427 O LEU A 155 8.381 -12.748 1.479 1.00 0.00 O ATOM 2428 CB LEU A 155 6.893 -10.137 3.109 1.00 0.00 C ATOM 2429 CG LEU A 155 5.936 -8.939 2.809 1.00 0.00 C ATOM 2430 CD1 LEU A 155 4.484 -9.219 3.210 1.00 0.00 C ATOM 2431 CD2 LEU A 155 6.431 -7.639 3.470 1.00 0.00 C ATOM 0 H LEU A 155 7.783 -8.997 0.610 1.00 0.00 H new ATOM 0 HA LEU A 155 8.902 -10.668 2.781 1.00 0.00 H new ATOM 0 HB2 LEU A 155 6.281 -11.036 3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 155 7.330 -9.970 4.093 1.00 0.00 H new ATOM 0 HG LEU A 155 5.953 -8.810 1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 155 3.868 -8.350 2.977 1.00 0.00 H new ATOM 0 HD12 LEU A 155 4.115 -10.084 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 155 4.435 -9.422 4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 155 5.740 -6.828 3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 155 6.482 -7.776 4.550 1.00 0.00 H new ATOM 0 HD23 LEU A 155 7.422 -7.391 3.089 1.00 0.00 H new ATOM 2443 N LYS A 156 6.919 -11.577 0.207 1.00 0.00 N ATOM 2444 CA LYS A 156 6.542 -12.698 -0.692 1.00 0.00 C ATOM 2445 C LYS A 156 6.330 -12.179 -2.144 1.00 0.00 C ATOM 2446 O LYS A 156 6.046 -11.003 -2.383 1.00 0.00 O ATOM 2447 CB LYS A 156 5.353 -13.513 -0.115 1.00 0.00 C ATOM 2448 CG LYS A 156 4.002 -12.787 -0.107 1.00 0.00 C ATOM 2449 CD LYS A 156 2.866 -13.474 0.674 1.00 0.00 C ATOM 2450 CE LYS A 156 3.016 -13.366 2.204 1.00 0.00 C ATOM 2451 NZ LYS A 156 1.899 -14.022 2.905 1.00 0.00 N ATOM 0 H LYS A 156 6.443 -10.703 -0.017 1.00 0.00 H new ATOM 0 HA LYS A 156 7.364 -13.412 -0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 156 5.250 -14.432 -0.693 1.00 0.00 H new ATOM 0 HB3 LYS A 156 5.596 -13.805 0.907 1.00 0.00 H new ATOM 0 HG2 LYS A 156 4.151 -11.791 0.310 1.00 0.00 H new ATOM 0 HG3 LYS A 156 3.677 -12.655 -1.139 1.00 0.00 H new ATOM 0 HD2 LYS A 156 1.914 -13.032 0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 156 2.829 -14.527 0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 156 3.957 -13.822 2.511 1.00 0.00 H new ATOM 0 HE3 LYS A 156 3.061 -12.316 2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 156 2.032 -13.930 3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 156 1.003 -13.570 2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 156 1.872 -15.029 2.648 1.00 0.00 H new ATOM 2465 N VAL A 157 6.469 -13.087 -3.120 1.00 0.00 N ATOM 2466 CA VAL A 157 6.291 -12.773 -4.561 1.00 0.00 C ATOM 2467 C VAL A 157 5.973 -14.108 -5.308 1.00 0.00 C ATOM 2468 O VAL A 157 6.663 -15.122 -5.149 1.00 0.00 O ATOM 2469 CB VAL A 157 7.437 -11.891 -5.177 1.00 0.00 C ATOM 2470 CG1 VAL A 157 8.876 -12.286 -4.795 1.00 0.00 C ATOM 2471 CG2 VAL A 157 7.310 -11.743 -6.705 1.00 0.00 C ATOM 0 H VAL A 157 6.708 -14.062 -2.942 1.00 0.00 H new ATOM 0 HA VAL A 157 5.439 -12.107 -4.693 1.00 0.00 H new ATOM 0 HB VAL A 157 7.272 -10.923 -4.704 1.00 0.00 H new ATOM 0 HG11 VAL A 157 9.580 -11.608 -5.278 1.00 0.00 H new ATOM 0 HG12 VAL A 157 8.996 -12.223 -3.713 1.00 0.00 H new ATOM 0 HG13 VAL A 157 9.072 -13.307 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 157 8.126 -11.125 -7.080 1.00 0.00 H new ATOM 0 HG22 VAL A 157 7.357 -12.727 -7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 157 6.357 -11.272 -6.947 1.00 0.00 H new ATOM 2481 N GLU A 158 4.914 -14.058 -6.138 1.00 0.00 N ATOM 2482 CA GLU A 158 4.348 -15.237 -6.844 1.00 0.00 C ATOM 2483 C GLU A 158 4.404 -14.966 -8.373 1.00 0.00 C ATOM 2484 O GLU A 158 3.978 -13.917 -8.859 1.00 0.00 O ATOM 2485 CB GLU A 158 2.883 -15.509 -6.403 1.00 0.00 C ATOM 2486 CG GLU A 158 2.644 -15.950 -4.940 1.00 0.00 C ATOM 2487 CD GLU A 158 2.664 -14.817 -3.903 1.00 0.00 C ATOM 2488 OE1 GLU A 158 1.807 -13.909 -3.976 1.00 0.00 O ATOM 2489 OE2 GLU A 158 3.543 -14.831 -3.013 1.00 0.00 O ATOM 0 H GLU A 158 4.418 -13.191 -6.344 1.00 0.00 H new ATOM 0 HA GLU A 158 4.934 -16.121 -6.593 1.00 0.00 H new ATOM 0 HB2 GLU A 158 2.306 -14.601 -6.578 1.00 0.00 H new ATOM 0 HB3 GLU A 158 2.473 -16.279 -7.057 1.00 0.00 H new ATOM 0 HG2 GLU A 158 1.680 -16.456 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 158 3.405 -16.682 -4.669 1.00 0.00 H new ATOM 2496 N SER A 159 4.927 -15.940 -9.126 1.00 0.00 N ATOM 2497 CA SER A 159 5.207 -15.797 -10.584 1.00 0.00 C ATOM 2498 C SER A 159 4.003 -16.196 -11.511 1.00 0.00 C ATOM 2499 O SER A 159 3.083 -16.857 -11.019 1.00 0.00 O ATOM 2500 CB SER A 159 6.448 -16.683 -10.862 1.00 0.00 C ATOM 2501 OG SER A 159 7.616 -16.126 -10.270 1.00 0.00 O ATOM 0 H SER A 159 5.173 -16.857 -8.753 1.00 0.00 H new ATOM 0 HA SER A 159 5.382 -14.748 -10.821 1.00 0.00 H new ATOM 0 HB2 SER A 159 6.279 -17.685 -10.468 1.00 0.00 H new ATOM 0 HB3 SER A 159 6.594 -16.784 -11.938 1.00 0.00 H new ATOM 0 HG SER A 159 8.397 -16.344 -10.820 1.00 0.00 H new ATOM 2507 N PRO A 160 3.963 -15.862 -12.846 1.00 0.00 N ATOM 2508 CA PRO A 160 2.855 -16.261 -13.761 1.00 0.00 C ATOM 2509 C PRO A 160 2.790 -17.796 -14.003 1.00 0.00 C ATOM 2510 O PRO A 160 3.651 -18.375 -14.672 1.00 0.00 O ATOM 2511 CB PRO A 160 3.115 -15.440 -15.041 1.00 0.00 C ATOM 2512 CG PRO A 160 4.587 -15.027 -14.992 1.00 0.00 C ATOM 2513 CD PRO A 160 4.938 -14.971 -13.505 1.00 0.00 C ATOM 0 HA PRO A 160 1.872 -16.049 -13.341 1.00 0.00 H new ATOM 0 HB2 PRO A 160 2.906 -16.032 -15.932 1.00 0.00 H new ATOM 0 HB3 PRO A 160 2.466 -14.565 -15.081 1.00 0.00 H new ATOM 0 HG2 PRO A 160 5.215 -15.746 -15.518 1.00 0.00 H new ATOM 0 HG3 PRO A 160 4.741 -14.059 -15.470 1.00 0.00 H new ATOM 0 HD2 PRO A 160 5.960 -15.306 -13.328 1.00 0.00 H new ATOM 0 HD3 PRO A 160 4.865 -13.954 -13.121 1.00 0.00 H new ATOM 2521 N GLY A 161 1.782 -18.430 -13.383 1.00 0.00 N ATOM 2522 CA GLY A 161 1.774 -19.894 -13.178 1.00 0.00 C ATOM 2523 C GLY A 161 1.195 -20.286 -11.806 1.00 0.00 C ATOM 2524 O GLY A 161 0.240 -21.063 -11.740 1.00 0.00 O ATOM 0 H GLY A 161 0.959 -17.954 -13.013 1.00 0.00 H new ATOM 0 HA2 GLY A 161 1.188 -20.366 -13.966 1.00 0.00 H new ATOM 0 HA3 GLY A 161 2.791 -20.277 -13.264 1.00 0.00 H new ATOM 2528 N THR A 162 1.803 -19.762 -10.726 1.00 0.00 N ATOM 2529 CA THR A 162 1.387 -20.035 -9.326 1.00 0.00 C ATOM 2530 C THR A 162 0.384 -19.012 -8.709 1.00 0.00 C ATOM 2531 O THR A 162 -0.396 -19.417 -7.842 1.00 0.00 O ATOM 2532 CB THR A 162 2.654 -20.293 -8.454 1.00 0.00 C ATOM 2533 OG1 THR A 162 2.271 -20.746 -7.159 1.00 0.00 O ATOM 2534 CG2 THR A 162 3.636 -19.119 -8.284 1.00 0.00 C ATOM 0 H THR A 162 2.603 -19.132 -10.794 1.00 0.00 H new ATOM 0 HA THR A 162 0.782 -20.942 -9.343 1.00 0.00 H new ATOM 0 HB THR A 162 3.201 -21.045 -9.022 1.00 0.00 H new ATOM 0 HG1 THR A 162 3.072 -20.907 -6.618 1.00 0.00 H new ATOM 0 HG21 THR A 162 4.471 -19.431 -7.657 1.00 0.00 H new ATOM 0 HG22 THR A 162 4.010 -18.813 -9.261 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.123 -18.280 -7.814 1.00 0.00 H new ATOM 2542 N TYR A 163 0.391 -17.723 -9.115 1.00 0.00 N ATOM 2543 CA TYR A 163 -0.452 -16.677 -8.482 1.00 0.00 C ATOM 2544 C TYR A 163 -1.964 -16.804 -8.852 1.00 0.00 C ATOM 2545 O TYR A 163 -2.314 -17.187 -9.973 1.00 0.00 O ATOM 2546 CB TYR A 163 0.152 -15.259 -8.730 1.00 0.00 C ATOM 2547 CG TYR A 163 -0.304 -14.456 -9.963 1.00 0.00 C ATOM 2548 CD1 TYR A 163 0.213 -14.730 -11.230 1.00 0.00 C ATOM 2549 CD2 TYR A 163 -1.254 -13.441 -9.813 1.00 0.00 C ATOM 2550 CE1 TYR A 163 -0.207 -13.987 -12.333 1.00 0.00 C ATOM 2551 CE2 TYR A 163 -1.657 -12.684 -10.910 1.00 0.00 C ATOM 2552 CZ TYR A 163 -1.128 -12.954 -12.170 1.00 0.00 C ATOM 2553 OH TYR A 163 -1.512 -12.201 -13.251 1.00 0.00 O ATOM 0 H TYR A 163 0.972 -17.379 -9.880 1.00 0.00 H new ATOM 0 HA TYR A 163 -0.434 -16.838 -7.404 1.00 0.00 H new ATOM 0 HB2 TYR A 163 -0.057 -14.654 -7.848 1.00 0.00 H new ATOM 0 HB3 TYR A 163 1.235 -15.369 -8.792 1.00 0.00 H new ATOM 0 HD1 TYR A 163 0.940 -15.519 -11.357 1.00 0.00 H new ATOM 0 HD2 TYR A 163 -1.678 -13.243 -8.840 1.00 0.00 H new ATOM 0 HE1 TYR A 163 0.182 -14.213 -13.315 1.00 0.00 H new ATOM 0 HE2 TYR A 163 -2.378 -11.890 -10.784 1.00 0.00 H new ATOM 0 HH TYR A 163 -2.160 -11.524 -12.964 1.00 0.00 H new