USER MOD reduce.3.24.130724 H: found=0, std=0, add=697, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 698 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 29 HIS : no HD1:sc= -0.171 X(o=-1.8,f=-2.2) USER MOD Set 1.2: A 77 SER OG : rot 180:sc= -1.61! USER MOD Single : A 3 TYR OH : rot 180:sc= -0.0266 USER MOD Single : A 8 HIS : no HD1:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 9 SER OG : rot 2:sc= -1.34 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.233 USER MOD Single : A 22 HIS : no HD1:sc= -0.364 X(o=-0.36,f=-0.088) USER MOD Single : A 24 ASN : amide:sc= -3.27! C(o=-3.3!,f=-7.9!) USER MOD Single : A 26 ASN : amide:sc= -0.845 K(o=-0.84,f=-1.4) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= -0.023 (180deg=-0.246) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 40 CYS SG : rot -20:sc= -1.84! USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -131:sc= -2.22 (180deg=-3.89!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.0569 X(o=-0.057,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.0054) USER MOD Single : A 70 THR OG1 : rot 99:sc= 0.307 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.604 USER MOD Single : A 79 THR OG1 : rot -150:sc= -2.9! USER MOD Single : A 87 GLN : amide:sc= -2.64! K(o=-2.6!,f=-0.12) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -43:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 3 5.743 3.080 -15.117 1.00 0.00 N ATOM 20 CA TYR A 3 4.444 2.889 -14.483 1.00 0.00 C ATOM 21 C TYR A 3 4.232 3.904 -13.364 1.00 0.00 C ATOM 22 O TYR A 3 5.044 4.008 -12.444 1.00 0.00 O ATOM 23 CB TYR A 3 4.329 1.467 -13.930 1.00 0.00 C ATOM 24 CG TYR A 3 3.018 1.193 -13.227 1.00 0.00 C ATOM 25 CD1 TYR A 3 1.844 1.020 -13.948 1.00 0.00 C ATOM 26 CD2 TYR A 3 2.957 1.108 -11.842 1.00 0.00 C ATOM 27 CE1 TYR A 3 0.645 0.769 -13.307 1.00 0.00 C ATOM 28 CE2 TYR A 3 1.763 0.856 -11.195 1.00 0.00 C ATOM 29 CZ TYR A 3 0.609 0.688 -11.932 1.00 0.00 C ATOM 30 OH TYR A 3 -0.582 0.438 -11.291 1.00 0.00 O ATOM 0 HA TYR A 3 3.671 3.041 -15.237 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.447 0.757 -14.749 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.149 1.290 -13.234 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.868 1.082 -15.026 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.858 1.241 -11.261 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.260 0.637 -13.882 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.733 0.791 -10.117 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.433 0.411 -10.323 1.00 0.00 H new ATOM 40 N TRP A 4 3.134 4.651 -13.448 1.00 0.00 N ATOM 41 CA TRP A 4 2.817 5.657 -12.442 1.00 0.00 C ATOM 42 C TRP A 4 1.305 5.860 -12.328 1.00 0.00 C ATOM 43 O TRP A 4 0.707 6.562 -13.143 1.00 0.00 O ATOM 44 CB TRP A 4 3.496 6.985 -12.788 1.00 0.00 C ATOM 45 CG TRP A 4 3.248 8.060 -11.775 1.00 0.00 C ATOM 46 CD1 TRP A 4 2.295 9.037 -11.831 1.00 0.00 C ATOM 47 CD2 TRP A 4 3.965 8.269 -10.553 1.00 0.00 C ATOM 48 NE1 TRP A 4 2.376 9.838 -10.718 1.00 0.00 N ATOM 49 CE2 TRP A 4 3.393 9.387 -9.919 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.035 7.616 -9.934 1.00 0.00 C ATOM 51 CZ2 TRP A 4 3.856 9.868 -8.697 1.00 0.00 C ATOM 52 CZ3 TRP A 4 5.493 8.094 -8.720 1.00 0.00 C ATOM 53 CH2 TRP A 4 4.904 9.210 -8.113 1.00 0.00 C ATOM 0 H TRP A 4 2.451 4.578 -14.202 1.00 0.00 H new ATOM 0 HA TRP A 4 3.191 5.303 -11.481 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.570 6.823 -12.880 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.141 7.324 -13.761 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.582 9.161 -12.633 1.00 0.00 H new ATOM 0 HE1 TRP A 4 1.776 10.639 -10.519 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.495 6.755 -10.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 3.404 10.729 -8.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 6.319 7.598 -8.232 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.285 9.559 -7.164 1.00 0.00 H new ATOM 64 N PRO A 5 0.665 5.242 -11.317 1.00 0.00 N ATOM 65 CA PRO A 5 -0.782 5.368 -11.104 1.00 0.00 C ATOM 66 C PRO A 5 -1.198 6.810 -10.835 1.00 0.00 C ATOM 67 O PRO A 5 -0.358 7.666 -10.562 1.00 0.00 O ATOM 68 CB PRO A 5 -1.049 4.500 -9.867 1.00 0.00 C ATOM 69 CG PRO A 5 0.130 3.596 -9.762 1.00 0.00 C ATOM 70 CD PRO A 5 1.294 4.370 -10.309 1.00 0.00 C ATOM 0 HA PRO A 5 -1.348 5.059 -11.983 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.156 5.113 -8.972 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.973 3.932 -9.977 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.307 3.304 -8.727 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.030 2.679 -10.329 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.796 4.947 -9.533 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.043 3.714 -10.753 1.00 0.00 H new ATOM 78 N ALA A 6 -2.499 7.071 -10.914 1.00 0.00 N ATOM 79 CA ALA A 6 -3.019 8.411 -10.671 1.00 0.00 C ATOM 80 C ALA A 6 -2.957 8.754 -9.186 1.00 0.00 C ATOM 81 O ALA A 6 -2.336 8.037 -8.402 1.00 0.00 O ATOM 82 CB ALA A 6 -4.446 8.528 -11.186 1.00 0.00 C ATOM 0 H ALA A 6 -3.209 6.376 -11.143 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.396 9.123 -11.211 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.820 9.534 -10.997 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.463 8.330 -12.258 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.079 7.804 -10.673 1.00 0.00 H new ATOM 88 N ARG A 7 -3.603 9.851 -8.803 1.00 0.00 N ATOM 89 CA ARG A 7 -3.612 10.283 -7.410 1.00 0.00 C ATOM 90 C ARG A 7 -4.682 9.540 -6.612 1.00 0.00 C ATOM 91 O ARG A 7 -5.809 9.369 -7.075 1.00 0.00 O ATOM 92 CB ARG A 7 -3.850 11.791 -7.324 1.00 0.00 C ATOM 93 CG ARG A 7 -2.786 12.614 -8.031 1.00 0.00 C ATOM 94 CD ARG A 7 -3.053 14.104 -7.900 1.00 0.00 C ATOM 95 NE ARG A 7 -2.033 14.906 -8.572 1.00 0.00 N ATOM 96 CZ ARG A 7 -2.023 16.236 -8.576 1.00 0.00 C ATOM 97 NH1 ARG A 7 -2.975 16.911 -7.947 1.00 0.00 N ATOM 98 NH2 ARG A 7 -1.059 16.890 -9.210 1.00 0.00 N ATOM 0 H ARG A 7 -4.126 10.456 -9.436 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.638 10.050 -6.979 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.824 12.022 -7.756 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.889 12.085 -6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.807 12.381 -7.612 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.755 12.341 -9.086 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.031 14.335 -8.322 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.089 14.374 -6.845 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.286 14.418 -9.066 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.717 16.410 -7.458 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.965 17.931 -7.952 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.325 16.373 -9.695 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.051 17.910 -9.213 1.00 0.00 H new ATOM 112 N HIS A 8 -4.312 9.099 -5.411 1.00 0.00 N ATOM 113 CA HIS A 8 -5.232 8.376 -4.534 1.00 0.00 C ATOM 114 C HIS A 8 -5.723 7.087 -5.187 1.00 0.00 C ATOM 115 O HIS A 8 -6.676 6.467 -4.714 1.00 0.00 O ATOM 116 CB HIS A 8 -6.425 9.263 -4.168 1.00 0.00 C ATOM 117 CG HIS A 8 -6.039 10.524 -3.459 1.00 0.00 C ATOM 118 ND1 HIS A 8 -6.108 10.670 -2.090 1.00 0.00 N ATOM 119 CD2 HIS A 8 -5.580 11.705 -3.939 1.00 0.00 C ATOM 120 CE1 HIS A 8 -5.710 11.885 -1.757 1.00 0.00 C ATOM 121 NE2 HIS A 8 -5.383 12.533 -2.860 1.00 0.00 N ATOM 0 H HIS A 8 -3.378 9.230 -5.022 1.00 0.00 H new ATOM 0 HA HIS A 8 -4.689 8.112 -3.626 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.969 9.519 -5.077 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.109 8.696 -3.537 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.402 11.950 -4.976 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.661 12.281 -0.753 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.040 13.493 -2.904 1.00 0.00 H new ATOM 130 N SER A 9 -5.068 6.685 -6.273 1.00 0.00 N ATOM 131 CA SER A 9 -5.441 5.464 -6.980 1.00 0.00 C ATOM 132 C SER A 9 -5.377 4.261 -6.047 1.00 0.00 C ATOM 133 O SER A 9 -4.484 4.166 -5.209 1.00 0.00 O ATOM 134 CB SER A 9 -4.521 5.239 -8.182 1.00 0.00 C ATOM 135 OG SER A 9 -4.636 6.297 -9.115 1.00 0.00 O ATOM 0 H SER A 9 -4.279 7.186 -6.681 1.00 0.00 H new ATOM 0 HA SER A 9 -6.465 5.578 -7.335 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.488 5.159 -7.844 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.772 4.295 -8.665 1.00 0.00 H new ATOM 0 HG SER A 9 -5.264 6.968 -8.774 1.00 0.00 H new ATOM 141 N GLY A 10 -6.323 3.343 -6.199 1.00 0.00 N ATOM 142 CA GLY A 10 -6.348 2.169 -5.348 1.00 0.00 C ATOM 143 C GLY A 10 -5.003 1.470 -5.270 1.00 0.00 C ATOM 144 O GLY A 10 -4.469 1.261 -4.183 1.00 0.00 O ATOM 0 H GLY A 10 -7.070 3.389 -6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.660 2.460 -4.345 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.095 1.469 -5.724 1.00 0.00 H new ATOM 148 N ALA A 11 -4.452 1.122 -6.429 1.00 0.00 N ATOM 149 CA ALA A 11 -3.166 0.430 -6.487 1.00 0.00 C ATOM 150 C ALA A 11 -2.054 1.195 -5.765 1.00 0.00 C ATOM 151 O ALA A 11 -1.243 0.593 -5.057 1.00 0.00 O ATOM 152 CB ALA A 11 -2.780 0.176 -7.937 1.00 0.00 C ATOM 0 H ALA A 11 -4.874 1.307 -7.339 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.284 -0.520 -5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.821 -0.340 -7.973 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -3.542 -0.441 -8.414 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.701 1.127 -8.464 1.00 0.00 H new ATOM 158 N ARG A 12 -2.012 2.515 -5.934 1.00 0.00 N ATOM 159 CA ARG A 12 -0.972 3.314 -5.290 1.00 0.00 C ATOM 160 C ARG A 12 -1.160 3.332 -3.777 1.00 0.00 C ATOM 161 O ARG A 12 -0.192 3.276 -3.020 1.00 0.00 O ATOM 162 CB ARG A 12 -0.956 4.746 -5.843 1.00 0.00 C ATOM 163 CG ARG A 12 -1.952 5.688 -5.183 1.00 0.00 C ATOM 164 CD ARG A 12 -1.613 7.144 -5.459 1.00 0.00 C ATOM 165 NE ARG A 12 -0.389 7.560 -4.779 1.00 0.00 N ATOM 166 CZ ARG A 12 0.103 8.793 -4.840 1.00 0.00 C ATOM 167 NH1 ARG A 12 -0.517 9.724 -5.554 1.00 0.00 N ATOM 168 NH2 ARG A 12 1.215 9.099 -4.187 1.00 0.00 N ATOM 0 H ARG A 12 -2.673 3.046 -6.501 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.011 2.850 -5.513 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.047 5.157 -5.725 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -1.162 4.711 -6.913 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.956 5.472 -5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -1.961 5.514 -4.107 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.499 7.292 -6.533 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.440 7.776 -5.136 1.00 0.00 H new ATOM 0 HE ARG A 12 0.116 6.866 -4.227 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.374 9.494 -6.058 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.137 10.670 -5.599 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.695 8.387 -3.636 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.591 10.046 -4.235 1.00 0.00 H new ATOM 182 N VAL A 13 -2.412 3.398 -3.346 1.00 0.00 N ATOM 183 CA VAL A 13 -2.723 3.426 -1.925 1.00 0.00 C ATOM 184 C VAL A 13 -2.201 2.179 -1.219 1.00 0.00 C ATOM 185 O VAL A 13 -1.789 2.240 -0.060 1.00 0.00 O ATOM 186 CB VAL A 13 -4.243 3.543 -1.687 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.565 3.455 -0.205 1.00 0.00 C ATOM 188 CG2 VAL A 13 -4.781 4.840 -2.269 1.00 0.00 C ATOM 0 H VAL A 13 -3.227 3.433 -3.959 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.228 4.304 -1.510 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.729 2.710 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.642 3.540 -0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.221 2.497 0.186 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.063 4.265 0.325 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.854 4.902 -2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.285 5.686 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.590 4.864 -3.342 1.00 0.00 H new ATOM 198 N ILE A 14 -2.215 1.046 -1.920 1.00 0.00 N ATOM 199 CA ILE A 14 -1.758 -0.200 -1.320 1.00 0.00 C ATOM 200 C ILE A 14 -0.230 -0.265 -1.208 1.00 0.00 C ATOM 201 O ILE A 14 0.297 -0.536 -0.137 1.00 0.00 O ATOM 202 CB ILE A 14 -2.296 -1.445 -2.075 1.00 0.00 C ATOM 203 CG1 ILE A 14 -1.308 -1.941 -3.137 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.639 -1.134 -2.714 1.00 0.00 C ATOM 205 CD1 ILE A 14 -1.752 -3.206 -3.838 1.00 0.00 C ATOM 0 H ILE A 14 -2.532 0.968 -2.886 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.169 -0.213 -0.311 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.421 -2.243 -1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.163 -1.157 -3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.341 -2.117 -2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.005 -2.016 -3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.353 -0.851 -1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.524 -0.312 -3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.003 -3.496 -4.575 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.869 -4.005 -3.106 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -2.704 -3.030 -4.339 1.00 0.00 H new ATOM 217 N LEU A 15 0.479 -0.021 -2.305 1.00 0.00 N ATOM 218 CA LEU A 15 1.939 -0.092 -2.247 1.00 0.00 C ATOM 219 C LEU A 15 2.512 0.896 -1.232 1.00 0.00 C ATOM 220 O LEU A 15 3.485 0.598 -0.538 1.00 0.00 O ATOM 221 CB LEU A 15 2.545 0.166 -3.628 1.00 0.00 C ATOM 222 CG LEU A 15 2.049 -0.766 -4.732 1.00 0.00 C ATOM 223 CD1 LEU A 15 1.753 0.022 -5.996 1.00 0.00 C ATOM 224 CD2 LEU A 15 3.077 -1.851 -5.010 1.00 0.00 C ATOM 0 H LEU A 15 0.087 0.220 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 15 2.203 -1.099 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.330 1.195 -3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.629 0.076 -3.556 1.00 0.00 H new ATOM 0 HG LEU A 15 1.127 -1.241 -4.397 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.401 -0.656 -6.773 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.985 0.767 -5.789 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.661 0.521 -6.334 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.709 -2.507 -5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.014 -1.392 -5.327 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.246 -2.433 -4.104 1.00 0.00 H new ATOM 236 N LEU A 16 1.890 2.061 -1.135 1.00 0.00 N ATOM 237 CA LEU A 16 2.355 3.082 -0.222 1.00 0.00 C ATOM 238 C LEU A 16 2.137 2.647 1.222 1.00 0.00 C ATOM 239 O LEU A 16 3.016 2.777 2.085 1.00 0.00 O ATOM 240 CB LEU A 16 1.582 4.360 -0.512 1.00 0.00 C ATOM 241 CG LEU A 16 1.868 5.517 0.421 1.00 0.00 C ATOM 242 CD1 LEU A 16 3.326 5.936 0.324 1.00 0.00 C ATOM 243 CD2 LEU A 16 0.944 6.674 0.095 1.00 0.00 C ATOM 0 H LEU A 16 1.065 2.318 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 16 3.423 3.248 -0.360 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.803 4.675 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.516 4.137 -0.471 1.00 0.00 H new ATOM 0 HG LEU A 16 1.684 5.202 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.511 6.769 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.965 5.096 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.549 6.244 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.151 7.506 0.768 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.107 6.991 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.092 6.358 0.218 1.00 0.00 H new ATOM 255 N VAL A 17 0.952 2.122 1.468 1.00 0.00 N ATOM 256 CA VAL A 17 0.589 1.662 2.789 1.00 0.00 C ATOM 257 C VAL A 17 1.419 0.445 3.190 1.00 0.00 C ATOM 258 O VAL A 17 1.817 0.315 4.348 1.00 0.00 O ATOM 259 CB VAL A 17 -0.914 1.357 2.854 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.253 0.008 2.254 1.00 0.00 C ATOM 261 CG2 VAL A 17 -1.422 1.450 4.275 1.00 0.00 C ATOM 0 H VAL A 17 0.223 2.004 0.764 1.00 0.00 H new ATOM 0 HA VAL A 17 0.805 2.457 3.503 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.417 2.114 2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.327 -0.162 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.950 -0.011 1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.726 -0.775 2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.489 1.230 4.295 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.891 0.731 4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.252 2.457 4.657 1.00 0.00 H new ATOM 271 N LEU A 18 1.678 -0.450 2.236 1.00 0.00 N ATOM 272 CA LEU A 18 2.508 -1.609 2.536 1.00 0.00 C ATOM 273 C LEU A 18 3.898 -1.127 2.902 1.00 0.00 C ATOM 274 O LEU A 18 4.618 -1.779 3.657 1.00 0.00 O ATOM 275 CB LEU A 18 2.622 -2.571 1.342 1.00 0.00 C ATOM 276 CG LEU A 18 1.320 -3.180 0.819 1.00 0.00 C ATOM 277 CD1 LEU A 18 1.618 -4.408 -0.027 1.00 0.00 C ATOM 278 CD2 LEU A 18 0.378 -3.531 1.961 1.00 0.00 C ATOM 0 H LEU A 18 1.335 -0.396 1.277 1.00 0.00 H new ATOM 0 HA LEU A 18 2.040 -2.150 3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.101 -2.038 0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.288 -3.386 1.625 1.00 0.00 H new ATOM 0 HG LEU A 18 0.823 -2.436 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.684 -4.833 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.244 -4.124 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.140 -5.149 0.578 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.538 -3.962 1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.859 -4.254 2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.138 -2.629 2.525 1.00 0.00 H new ATOM 290 N TYR A 19 4.265 0.029 2.352 1.00 0.00 N ATOM 291 CA TYR A 19 5.583 0.594 2.599 1.00 0.00 C ATOM 292 C TYR A 19 5.850 0.765 4.082 1.00 0.00 C ATOM 293 O TYR A 19 6.757 0.141 4.618 1.00 0.00 O ATOM 294 CB TYR A 19 5.736 1.937 1.888 1.00 0.00 C ATOM 295 CG TYR A 19 7.123 2.530 2.006 1.00 0.00 C ATOM 296 CD1 TYR A 19 8.176 2.041 1.242 1.00 0.00 C ATOM 297 CD2 TYR A 19 7.377 3.581 2.878 1.00 0.00 C ATOM 298 CE1 TYR A 19 9.443 2.580 1.347 1.00 0.00 C ATOM 299 CE2 TYR A 19 8.642 4.127 2.988 1.00 0.00 C ATOM 300 CZ TYR A 19 9.670 3.623 2.220 1.00 0.00 C ATOM 301 OH TYR A 19 10.931 4.164 2.327 1.00 0.00 O ATOM 0 H TYR A 19 3.671 0.586 1.738 1.00 0.00 H new ATOM 0 HA TYR A 19 6.315 -0.108 2.201 1.00 0.00 H new ATOM 0 HB2 TYR A 19 5.493 1.810 0.833 1.00 0.00 H new ATOM 0 HB3 TYR A 19 5.013 2.641 2.299 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.000 1.226 0.555 1.00 0.00 H new ATOM 0 HD2 TYR A 19 6.573 3.978 3.480 1.00 0.00 H new ATOM 0 HE1 TYR A 19 10.252 2.187 0.749 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.824 4.943 3.671 1.00 0.00 H new ATOM 0 HH TYR A 19 10.921 4.890 2.985 1.00 0.00 H new ATOM 311 N ARG A 20 5.042 1.567 4.763 1.00 0.00 N ATOM 312 CA ARG A 20 5.273 1.779 6.189 1.00 0.00 C ATOM 313 C ARG A 20 5.278 0.456 6.960 1.00 0.00 C ATOM 314 O ARG A 20 6.202 0.184 7.726 1.00 0.00 O ATOM 315 CB ARG A 20 4.238 2.748 6.770 1.00 0.00 C ATOM 316 CG ARG A 20 2.799 2.321 6.551 1.00 0.00 C ATOM 317 CD ARG A 20 2.235 1.612 7.771 1.00 0.00 C ATOM 318 NE ARG A 20 2.042 2.523 8.897 1.00 0.00 N ATOM 319 CZ ARG A 20 1.469 2.167 10.043 1.00 0.00 C ATOM 320 NH1 ARG A 20 1.037 0.925 10.215 1.00 0.00 N ATOM 321 NH2 ARG A 20 1.329 3.054 11.019 1.00 0.00 N ATOM 0 H ARG A 20 4.245 2.068 4.369 1.00 0.00 H new ATOM 0 HA ARG A 20 6.260 2.227 6.301 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.416 2.854 7.840 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.386 3.731 6.324 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.190 3.196 6.324 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.742 1.660 5.686 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.283 1.149 7.513 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.910 0.809 8.067 1.00 0.00 H new ATOM 0 HE ARG A 20 2.365 3.486 8.799 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.144 0.240 9.467 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.598 0.655 11.095 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.661 4.010 10.891 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.889 2.780 11.898 1.00 0.00 H new ATOM 335 N GLU A 21 4.248 -0.358 6.750 1.00 0.00 N ATOM 336 CA GLU A 21 4.196 -1.637 7.456 1.00 0.00 C ATOM 337 C GLU A 21 5.411 -2.493 7.135 1.00 0.00 C ATOM 338 O GLU A 21 5.857 -3.287 7.961 1.00 0.00 O ATOM 339 CB GLU A 21 2.917 -2.393 7.118 1.00 0.00 C ATOM 340 CG GLU A 21 1.971 -2.494 8.297 1.00 0.00 C ATOM 341 CD GLU A 21 2.483 -3.414 9.388 1.00 0.00 C ATOM 342 OE1 GLU A 21 3.350 -2.978 10.173 1.00 0.00 O ATOM 343 OE2 GLU A 21 2.013 -4.570 9.458 1.00 0.00 O ATOM 0 H GLU A 21 3.466 -0.168 6.123 1.00 0.00 H new ATOM 0 HA GLU A 21 4.202 -1.422 8.525 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.411 -1.892 6.293 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.172 -3.396 6.775 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.810 -1.500 8.713 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.003 -2.855 7.950 1.00 0.00 H new ATOM 350 N HIS A 22 5.944 -2.325 5.937 1.00 0.00 N ATOM 351 CA HIS A 22 7.124 -3.080 5.549 1.00 0.00 C ATOM 352 C HIS A 22 8.336 -2.541 6.290 1.00 0.00 C ATOM 353 O HIS A 22 9.268 -3.279 6.613 1.00 0.00 O ATOM 354 CB HIS A 22 7.325 -2.998 4.043 1.00 0.00 C ATOM 355 CG HIS A 22 8.568 -3.673 3.552 1.00 0.00 C ATOM 356 ND1 HIS A 22 8.569 -4.930 2.984 1.00 0.00 N ATOM 357 CD2 HIS A 22 9.857 -3.255 3.537 1.00 0.00 C ATOM 358 CE1 HIS A 22 9.804 -5.254 2.639 1.00 0.00 C ATOM 359 NE2 HIS A 22 10.603 -4.256 2.965 1.00 0.00 N ATOM 0 H HIS A 22 5.587 -1.685 5.227 1.00 0.00 H new ATOM 0 HA HIS A 22 6.991 -4.129 5.815 1.00 0.00 H new ATOM 0 HB2 HIS A 22 6.463 -3.445 3.548 1.00 0.00 H new ATOM 0 HB3 HIS A 22 7.354 -1.949 3.748 1.00 0.00 H new ATOM 0 HD2 HIS A 22 10.228 -2.310 3.906 1.00 0.00 H new ATOM 0 HE1 HIS A 22 10.107 -6.179 2.170 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.612 -4.232 2.816 1.00 0.00 H new ATOM 368 N LEU A 23 8.308 -1.242 6.556 1.00 0.00 N ATOM 369 CA LEU A 23 9.387 -0.597 7.280 1.00 0.00 C ATOM 370 C LEU A 23 9.181 -0.748 8.780 1.00 0.00 C ATOM 371 O LEU A 23 10.077 -0.453 9.569 1.00 0.00 O ATOM 372 CB LEU A 23 9.474 0.884 6.913 1.00 0.00 C ATOM 373 CG LEU A 23 10.199 1.184 5.603 1.00 0.00 C ATOM 374 CD1 LEU A 23 9.355 0.782 4.404 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.572 2.656 5.526 1.00 0.00 C ATOM 0 H LEU A 23 7.550 -0.618 6.280 1.00 0.00 H new ATOM 0 HA LEU A 23 10.323 -1.081 6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.463 1.287 6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.980 1.414 7.720 1.00 0.00 H new ATOM 0 HG LEU A 23 11.114 0.592 5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.897 1.007 3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.145 -0.287 4.449 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.417 1.337 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 23 11.088 2.852 4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.668 3.263 5.578 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.227 2.909 6.359 1.00 0.00 H new ATOM 387 N ASN A 24 7.994 -1.215 9.165 1.00 0.00 N ATOM 388 CA ASN A 24 7.674 -1.401 10.576 1.00 0.00 C ATOM 389 C ASN A 24 8.590 -2.436 11.230 1.00 0.00 C ATOM 390 O ASN A 24 8.476 -3.633 10.966 1.00 0.00 O ATOM 391 CB ASN A 24 6.213 -1.820 10.744 1.00 0.00 C ATOM 392 CG ASN A 24 5.295 -0.622 10.869 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.800 -0.092 9.878 1.00 0.00 O ATOM 394 ND2 ASN A 24 5.068 -0.181 12.097 1.00 0.00 N ATOM 0 H ASN A 24 7.244 -1.470 8.523 1.00 0.00 H new ATOM 0 HA ASN A 24 7.833 -0.445 11.075 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.908 -2.424 9.890 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.114 -2.447 11.630 1.00 0.00 H new ATOM 0 HD21 ASN A 24 4.463 0.627 12.245 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.498 -0.649 12.895 1.00 0.00 H new ATOM 401 N PRO A 25 9.516 -1.980 12.095 1.00 0.00 N ATOM 402 CA PRO A 25 10.450 -2.864 12.802 1.00 0.00 C ATOM 403 C PRO A 25 9.747 -3.736 13.833 1.00 0.00 C ATOM 404 O PRO A 25 9.988 -4.940 13.915 1.00 0.00 O ATOM 405 CB PRO A 25 11.410 -1.901 13.515 1.00 0.00 C ATOM 406 CG PRO A 25 11.155 -0.557 12.921 1.00 0.00 C ATOM 407 CD PRO A 25 9.732 -0.571 12.446 1.00 0.00 C ATOM 0 HA PRO A 25 10.944 -3.550 12.113 1.00 0.00 H new ATOM 0 HB2 PRO A 25 11.229 -1.894 14.590 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.447 -2.203 13.368 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.311 0.230 13.659 1.00 0.00 H new ATOM 0 HG3 PRO A 25 11.839 -0.360 12.095 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.044 -0.238 13.223 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.586 0.086 11.588 1.00 0.00 H new ATOM 415 N ASN A 26 8.874 -3.113 14.616 1.00 0.00 N ATOM 416 CA ASN A 26 8.144 -3.836 15.646 1.00 0.00 C ATOM 417 C ASN A 26 6.801 -4.320 15.107 1.00 0.00 C ATOM 418 O ASN A 26 5.840 -4.491 15.857 1.00 0.00 O ATOM 419 CB ASN A 26 7.935 -2.939 16.871 1.00 0.00 C ATOM 420 CG ASN A 26 7.408 -3.703 18.072 1.00 0.00 C ATOM 421 OD1 ASN A 26 6.200 -3.787 18.289 1.00 0.00 O ATOM 422 ND2 ASN A 26 8.318 -4.266 18.860 1.00 0.00 N ATOM 0 H ASN A 26 8.657 -2.118 14.557 1.00 0.00 H new ATOM 0 HA ASN A 26 8.729 -4.706 15.944 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.880 -2.464 17.134 1.00 0.00 H new ATOM 0 HB3 ASN A 26 7.237 -2.141 16.618 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.024 -4.793 19.682 1.00 0.00 H new ATOM 0 HD22 ASN A 26 9.310 -4.171 18.642 1.00 0.00 H new ATOM 429 N GLY A 27 6.751 -4.553 13.800 1.00 0.00 N ATOM 430 CA GLY A 27 5.517 -5.011 13.193 1.00 0.00 C ATOM 431 C GLY A 27 5.761 -5.934 12.018 1.00 0.00 C ATOM 432 O GLY A 27 6.902 -6.284 11.720 1.00 0.00 O ATOM 0 H GLY A 27 7.534 -4.434 13.157 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.918 -5.530 13.941 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.937 -4.150 12.861 1.00 0.00 H new ATOM 436 N HIS A 28 4.684 -6.330 11.349 1.00 0.00 N ATOM 437 CA HIS A 28 4.790 -7.217 10.197 1.00 0.00 C ATOM 438 C HIS A 28 5.010 -6.416 8.919 1.00 0.00 C ATOM 439 O HIS A 28 4.432 -5.346 8.742 1.00 0.00 O ATOM 440 CB HIS A 28 3.526 -8.069 10.068 1.00 0.00 C ATOM 441 CG HIS A 28 3.273 -8.948 11.254 1.00 0.00 C ATOM 442 ND1 HIS A 28 3.603 -10.287 11.285 1.00 0.00 N ATOM 443 CD2 HIS A 28 2.715 -8.672 12.457 1.00 0.00 C ATOM 444 CE1 HIS A 28 3.259 -10.796 12.454 1.00 0.00 C ATOM 445 NE2 HIS A 28 2.719 -9.837 13.184 1.00 0.00 N ATOM 0 H HIS A 28 3.731 -6.052 11.583 1.00 0.00 H new ATOM 0 HA HIS A 28 5.648 -7.873 10.348 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.668 -7.412 9.923 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.606 -8.690 9.176 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.337 -7.714 12.784 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.396 -11.822 12.761 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.363 -9.944 14.134 1.00 0.00 H new ATOM 454 N HIS A 29 5.850 -6.938 8.033 1.00 0.00 N ATOM 455 CA HIS A 29 6.140 -6.266 6.771 1.00 0.00 C ATOM 456 C HIS A 29 5.054 -6.559 5.742 1.00 0.00 C ATOM 457 O HIS A 29 5.334 -6.752 4.559 1.00 0.00 O ATOM 458 CB HIS A 29 7.506 -6.703 6.240 1.00 0.00 C ATOM 459 CG HIS A 29 7.647 -8.187 6.092 1.00 0.00 C ATOM 460 ND1 HIS A 29 8.185 -8.993 7.074 1.00 0.00 N ATOM 461 CD2 HIS A 29 7.317 -9.011 5.070 1.00 0.00 C ATOM 462 CE1 HIS A 29 8.181 -10.248 6.660 1.00 0.00 C ATOM 463 NE2 HIS A 29 7.659 -10.286 5.449 1.00 0.00 N ATOM 0 H HIS A 29 6.341 -7.822 8.164 1.00 0.00 H new ATOM 0 HA HIS A 29 6.161 -5.191 6.951 1.00 0.00 H new ATOM 0 HB2 HIS A 29 7.677 -6.232 5.272 1.00 0.00 H new ATOM 0 HB3 HIS A 29 8.282 -6.338 6.914 1.00 0.00 H new ATOM 0 HD2 HIS A 29 6.868 -8.720 4.132 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.544 -11.098 7.218 1.00 0.00 H new ATOM 0 HE2 HIS A 29 7.530 -11.126 4.885 1.00 0.00 H new ATOM 472 N PHE A 30 3.812 -6.569 6.207 1.00 0.00 N ATOM 473 CA PHE A 30 2.666 -6.843 5.344 1.00 0.00 C ATOM 474 C PHE A 30 1.360 -6.498 6.045 1.00 0.00 C ATOM 475 O PHE A 30 1.355 -6.037 7.186 1.00 0.00 O ATOM 476 CB PHE A 30 2.638 -8.316 4.925 1.00 0.00 C ATOM 477 CG PHE A 30 2.576 -9.277 6.080 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.363 -9.585 6.677 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.728 -9.874 6.566 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.301 -10.469 7.737 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.672 -10.759 7.627 1.00 0.00 C ATOM 482 CZ PHE A 30 2.456 -11.057 8.212 1.00 0.00 C ATOM 0 H PHE A 30 3.570 -6.390 7.181 1.00 0.00 H new ATOM 0 HA PHE A 30 2.771 -6.219 4.457 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.776 -8.484 4.279 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.527 -8.532 4.333 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.456 -9.129 6.309 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.680 -9.646 6.111 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.350 -10.700 8.193 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.577 -11.217 7.998 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.409 -11.749 9.040 1.00 0.00 H new ATOM 492 N LEU A 31 0.253 -6.741 5.350 1.00 0.00 N ATOM 493 CA LEU A 31 -1.069 -6.470 5.887 1.00 0.00 C ATOM 494 C LEU A 31 -2.118 -7.318 5.177 1.00 0.00 C ATOM 495 O LEU A 31 -1.962 -7.654 4.001 1.00 0.00 O ATOM 496 CB LEU A 31 -1.407 -4.991 5.719 1.00 0.00 C ATOM 497 CG LEU A 31 -0.819 -4.058 6.777 1.00 0.00 C ATOM 498 CD1 LEU A 31 -0.998 -2.606 6.364 1.00 0.00 C ATOM 499 CD2 LEU A 31 -1.464 -4.312 8.132 1.00 0.00 C ATOM 0 H LEU A 31 0.250 -7.128 4.406 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.070 -6.723 6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.059 -4.666 4.739 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.491 -4.881 5.725 1.00 0.00 H new ATOM 0 HG LEU A 31 0.248 -4.263 6.862 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.574 -1.955 7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.489 -2.432 5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.060 -2.388 6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.032 -3.638 8.872 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.537 -4.136 8.063 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.285 -5.344 8.433 1.00 0.00 H new ATOM 511 N THR A 32 -3.182 -7.665 5.892 1.00 0.00 N ATOM 512 CA THR A 32 -4.248 -8.461 5.301 1.00 0.00 C ATOM 513 C THR A 32 -5.195 -7.564 4.513 1.00 0.00 C ATOM 514 O THR A 32 -5.235 -6.356 4.734 1.00 0.00 O ATOM 515 CB THR A 32 -5.042 -9.236 6.369 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.705 -8.321 7.249 1.00 0.00 O ATOM 517 CG2 THR A 32 -4.124 -10.144 7.173 1.00 0.00 C ATOM 0 H THR A 32 -3.328 -7.411 6.869 1.00 0.00 H new ATOM 0 HA THR A 32 -3.784 -9.186 4.633 1.00 0.00 H new ATOM 0 HB THR A 32 -5.784 -9.852 5.861 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.208 -8.823 7.924 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.707 -10.681 7.921 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.644 -10.859 6.505 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.362 -9.543 7.670 1.00 0.00 H new ATOM 525 N LYS A 33 -5.969 -8.160 3.613 1.00 0.00 N ATOM 526 CA LYS A 33 -6.894 -7.386 2.788 1.00 0.00 C ATOM 527 C LYS A 33 -7.797 -6.510 3.653 1.00 0.00 C ATOM 528 O LYS A 33 -8.019 -5.339 3.347 1.00 0.00 O ATOM 529 CB LYS A 33 -7.747 -8.325 1.928 1.00 0.00 C ATOM 530 CG LYS A 33 -8.184 -7.723 0.597 1.00 0.00 C ATOM 531 CD LYS A 33 -9.116 -6.535 0.787 1.00 0.00 C ATOM 532 CE LYS A 33 -9.560 -5.957 -0.547 1.00 0.00 C ATOM 533 NZ LYS A 33 -10.311 -6.951 -1.362 1.00 0.00 N ATOM 0 H LYS A 33 -5.977 -9.164 3.436 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.307 -6.738 2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.182 -9.237 1.734 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.633 -8.613 2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.305 -7.408 0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.686 -8.486 0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.990 -6.845 1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.611 -5.764 1.369 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.187 -5.083 -0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.687 -5.617 -1.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.795 -6.464 -2.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.649 -7.654 -1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.014 -7.430 -0.764 1.00 0.00 H new ATOM 547 N GLU A 34 -8.304 -7.078 4.739 1.00 0.00 N ATOM 548 CA GLU A 34 -9.187 -6.349 5.641 1.00 0.00 C ATOM 549 C GLU A 34 -8.445 -5.237 6.379 1.00 0.00 C ATOM 550 O GLU A 34 -9.013 -4.178 6.651 1.00 0.00 O ATOM 551 CB GLU A 34 -9.823 -7.310 6.646 1.00 0.00 C ATOM 552 CG GLU A 34 -8.809 -8.064 7.492 1.00 0.00 C ATOM 553 CD GLU A 34 -9.464 -9.015 8.475 1.00 0.00 C ATOM 554 OE1 GLU A 34 -9.763 -8.584 9.609 1.00 0.00 O ATOM 555 OE2 GLU A 34 -9.679 -10.191 8.111 1.00 0.00 O ATOM 0 H GLU A 34 -8.119 -8.042 5.017 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.968 -5.886 5.038 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.486 -6.748 7.304 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.441 -8.029 6.108 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.141 -8.625 6.838 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.194 -7.349 8.038 1.00 0.00 H new ATOM 562 N GLU A 35 -7.176 -5.476 6.703 1.00 0.00 N ATOM 563 CA GLU A 35 -6.392 -4.476 7.421 1.00 0.00 C ATOM 564 C GLU A 35 -6.021 -3.309 6.515 1.00 0.00 C ATOM 565 O GLU A 35 -5.894 -2.177 6.973 1.00 0.00 O ATOM 566 CB GLU A 35 -5.126 -5.101 8.011 1.00 0.00 C ATOM 567 CG GLU A 35 -5.399 -6.057 9.160 1.00 0.00 C ATOM 568 CD GLU A 35 -4.134 -6.684 9.711 1.00 0.00 C ATOM 569 OE1 GLU A 35 -3.731 -7.752 9.206 1.00 0.00 O ATOM 570 OE2 GLU A 35 -3.544 -6.106 10.648 1.00 0.00 O ATOM 0 H GLU A 35 -6.676 -6.338 6.484 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.011 -4.096 8.234 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.593 -5.635 7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.467 -4.306 8.359 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.912 -5.522 9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.072 -6.844 8.820 1.00 0.00 H new ATOM 577 N LEU A 36 -5.872 -3.590 5.226 1.00 0.00 N ATOM 578 CA LEU A 36 -5.499 -2.546 4.278 1.00 0.00 C ATOM 579 C LEU A 36 -6.586 -1.486 4.166 1.00 0.00 C ATOM 580 O LEU A 36 -6.315 -0.290 4.259 1.00 0.00 O ATOM 581 CB LEU A 36 -5.243 -3.155 2.906 1.00 0.00 C ATOM 582 CG LEU A 36 -4.173 -4.236 2.862 1.00 0.00 C ATOM 583 CD1 LEU A 36 -4.230 -5.006 1.551 1.00 0.00 C ATOM 584 CD2 LEU A 36 -2.795 -3.626 3.062 1.00 0.00 C ATOM 0 H LEU A 36 -6.001 -4.516 4.818 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.590 -2.070 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.177 -3.576 2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.958 -2.357 2.220 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.365 -4.937 3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.455 -5.772 1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.207 -5.477 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.068 -4.320 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.041 -4.412 3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.600 -2.901 2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.755 -3.127 4.030 1.00 0.00 H new ATOM 596 N LEU A 37 -7.815 -1.942 3.957 1.00 0.00 N ATOM 597 CA LEU A 37 -8.959 -1.045 3.823 1.00 0.00 C ATOM 598 C LEU A 37 -8.989 -0.011 4.947 1.00 0.00 C ATOM 599 O LEU A 37 -9.358 1.143 4.729 1.00 0.00 O ATOM 600 CB LEU A 37 -10.261 -1.851 3.820 1.00 0.00 C ATOM 601 CG LEU A 37 -10.395 -2.865 2.682 1.00 0.00 C ATOM 602 CD1 LEU A 37 -11.688 -3.653 2.821 1.00 0.00 C ATOM 603 CD2 LEU A 37 -10.342 -2.164 1.331 1.00 0.00 C ATOM 0 H LEU A 37 -8.047 -2.932 3.876 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.860 -0.513 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.344 -2.380 4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.100 -1.157 3.768 1.00 0.00 H new ATOM 0 HG LEU A 37 -9.558 -3.560 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.767 -4.370 2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.689 -4.186 3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.536 -2.969 2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.439 -2.902 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.159 -1.446 1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.390 -1.642 1.229 1.00 0.00 H new ATOM 615 N GLN A 38 -8.600 -0.430 6.148 1.00 0.00 N ATOM 616 CA GLN A 38 -8.590 0.486 7.282 1.00 0.00 C ATOM 617 C GLN A 38 -7.426 1.459 7.154 1.00 0.00 C ATOM 618 O GLN A 38 -7.577 2.665 7.352 1.00 0.00 O ATOM 619 CB GLN A 38 -8.484 -0.289 8.597 1.00 0.00 C ATOM 620 CG GLN A 38 -9.631 -1.260 8.826 1.00 0.00 C ATOM 621 CD GLN A 38 -9.501 -2.018 10.132 1.00 0.00 C ATOM 622 OE1 GLN A 38 -8.903 -3.093 10.184 1.00 0.00 O ATOM 623 NE2 GLN A 38 -10.064 -1.460 11.199 1.00 0.00 N ATOM 0 H GLN A 38 -8.293 -1.380 6.358 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.525 1.046 7.285 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.544 -0.841 8.609 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.448 0.419 9.425 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.573 -0.712 8.821 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.671 -1.970 8.000 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.550 -0.568 11.111 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.010 -1.924 12.106 1.00 0.00 H new ATOM 632 N ARG A 39 -6.264 0.911 6.823 1.00 0.00 N ATOM 633 CA ARG A 39 -5.057 1.706 6.647 1.00 0.00 C ATOM 634 C ARG A 39 -5.284 2.813 5.630 1.00 0.00 C ATOM 635 O ARG A 39 -4.794 3.931 5.786 1.00 0.00 O ATOM 636 CB ARG A 39 -3.928 0.808 6.169 1.00 0.00 C ATOM 637 CG ARG A 39 -3.645 -0.350 7.096 1.00 0.00 C ATOM 638 CD ARG A 39 -2.744 0.064 8.245 1.00 0.00 C ATOM 639 NE ARG A 39 -2.621 -0.987 9.251 1.00 0.00 N ATOM 640 CZ ARG A 39 -2.224 -0.769 10.502 1.00 0.00 C ATOM 641 NH1 ARG A 39 -1.917 0.458 10.900 1.00 0.00 N ATOM 642 NH2 ARG A 39 -2.136 -1.779 11.356 1.00 0.00 N ATOM 0 H ARG A 39 -6.132 -0.089 6.670 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.796 2.159 7.603 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.177 0.420 5.181 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.022 1.404 6.058 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.584 -0.739 7.490 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.175 -1.159 6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.756 0.313 7.859 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -3.141 0.966 8.710 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.853 -1.942 8.979 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.985 1.238 10.246 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.613 0.622 11.860 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.373 -2.724 11.054 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.832 -1.611 12.315 1.00 0.00 H new ATOM 656 N CYS A 40 -6.027 2.481 4.583 1.00 0.00 N ATOM 657 CA CYS A 40 -6.336 3.437 3.524 1.00 0.00 C ATOM 658 C CYS A 40 -6.965 4.696 4.107 1.00 0.00 C ATOM 659 O CYS A 40 -6.779 5.795 3.585 1.00 0.00 O ATOM 660 CB CYS A 40 -7.276 2.809 2.493 1.00 0.00 C ATOM 661 SG CYS A 40 -7.797 3.942 1.184 1.00 0.00 S ATOM 0 H CYS A 40 -6.429 1.554 4.443 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.405 3.710 3.028 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.780 1.951 2.040 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.161 2.432 3.006 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.619 5.169 1.575 1.00 0.00 H new ATOM 667 N ALA A 41 -7.710 4.524 5.193 1.00 0.00 N ATOM 668 CA ALA A 41 -8.362 5.651 5.853 1.00 0.00 C ATOM 669 C ALA A 41 -7.336 6.598 6.470 1.00 0.00 C ATOM 670 O ALA A 41 -7.697 7.611 7.069 1.00 0.00 O ATOM 671 CB ALA A 41 -9.330 5.154 6.915 1.00 0.00 C ATOM 0 H ALA A 41 -7.878 3.620 5.634 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.921 6.206 5.099 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.808 6.006 7.398 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.090 4.527 6.449 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.786 4.573 7.660 1.00 0.00 H new ATOM 677 N GLN A 42 -6.057 6.263 6.318 1.00 0.00 N ATOM 678 CA GLN A 42 -5.015 7.116 6.874 1.00 0.00 C ATOM 679 C GLN A 42 -4.424 7.986 5.770 1.00 0.00 C ATOM 680 O GLN A 42 -3.938 9.090 6.017 1.00 0.00 O ATOM 681 CB GLN A 42 -3.918 6.272 7.526 1.00 0.00 C ATOM 682 CG GLN A 42 -2.810 7.097 8.162 1.00 0.00 C ATOM 683 CD GLN A 42 -1.738 6.235 8.801 1.00 0.00 C ATOM 684 OE1 GLN A 42 -0.758 5.863 8.156 1.00 0.00 O ATOM 685 NE2 GLN A 42 -1.920 5.913 10.077 1.00 0.00 N ATOM 0 H GLN A 42 -5.725 5.432 5.829 1.00 0.00 H new ATOM 0 HA GLN A 42 -5.454 7.755 7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -4.367 5.634 8.287 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.483 5.614 6.774 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -2.355 7.734 7.404 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.239 7.756 8.917 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.748 6.243 10.573 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.232 5.335 10.560 1.00 0.00 H new ATOM 694 N LYS A 43 -4.475 7.462 4.547 1.00 0.00 N ATOM 695 CA LYS A 43 -3.959 8.156 3.372 1.00 0.00 C ATOM 696 C LYS A 43 -4.518 9.570 3.287 1.00 0.00 C ATOM 697 O LYS A 43 -3.783 10.551 3.396 1.00 0.00 O ATOM 698 CB LYS A 43 -4.333 7.380 2.112 1.00 0.00 C ATOM 699 CG LYS A 43 -3.574 7.822 0.875 1.00 0.00 C ATOM 700 CD LYS A 43 -2.934 6.632 0.188 1.00 0.00 C ATOM 701 CE LYS A 43 -2.154 7.041 -1.048 1.00 0.00 C ATOM 702 NZ LYS A 43 -3.012 7.741 -2.043 1.00 0.00 N ATOM 0 H LYS A 43 -4.875 6.546 4.344 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.874 8.218 3.457 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.148 6.319 2.281 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.402 7.492 1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.252 8.325 0.186 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.807 8.545 1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.268 6.126 0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.707 5.916 -0.091 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.330 7.693 -0.757 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.714 6.156 -1.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.868 7.320 -2.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.011 7.644 -1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.758 8.749 -2.072 1.00 0.00 H new ATOM 885 N PRO A 56 -9.553 -4.898 -4.974 1.00 0.00 N ATOM 886 CA PRO A 56 -9.163 -6.201 -5.531 1.00 0.00 C ATOM 887 C PRO A 56 -8.119 -6.080 -6.642 1.00 0.00 C ATOM 888 O PRO A 56 -7.505 -7.072 -7.039 1.00 0.00 O ATOM 889 CB PRO A 56 -10.475 -6.749 -6.088 1.00 0.00 C ATOM 890 CG PRO A 56 -11.525 -6.149 -5.221 1.00 0.00 C ATOM 891 CD PRO A 56 -11.022 -4.782 -4.841 1.00 0.00 C ATOM 0 HA PRO A 56 -8.698 -6.840 -4.781 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.612 -6.466 -7.132 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.500 -7.838 -6.047 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.475 -6.081 -5.750 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -11.696 -6.761 -4.336 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.424 -4.011 -5.498 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.312 -4.517 -3.824 1.00 0.00 H new ATOM 899 N ALA A 57 -7.925 -4.862 -7.140 1.00 0.00 N ATOM 900 CA ALA A 57 -6.953 -4.609 -8.198 1.00 0.00 C ATOM 901 C ALA A 57 -5.545 -5.021 -7.775 1.00 0.00 C ATOM 902 O ALA A 57 -4.672 -5.218 -8.621 1.00 0.00 O ATOM 903 CB ALA A 57 -6.976 -3.140 -8.591 1.00 0.00 C ATOM 0 H ALA A 57 -8.430 -4.033 -6.826 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.232 -5.215 -9.060 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.246 -2.963 -9.381 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.971 -2.875 -8.949 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.727 -2.528 -7.724 1.00 0.00 H new ATOM 909 N LEU A 58 -5.329 -5.153 -6.468 1.00 0.00 N ATOM 910 CA LEU A 58 -4.019 -5.534 -5.952 1.00 0.00 C ATOM 911 C LEU A 58 -3.552 -6.860 -6.544 1.00 0.00 C ATOM 912 O LEU A 58 -2.351 -7.099 -6.675 1.00 0.00 O ATOM 913 CB LEU A 58 -4.030 -5.598 -4.420 1.00 0.00 C ATOM 914 CG LEU A 58 -5.288 -6.188 -3.779 1.00 0.00 C ATOM 915 CD1 LEU A 58 -5.351 -7.692 -3.980 1.00 0.00 C ATOM 916 CD2 LEU A 58 -5.329 -5.846 -2.298 1.00 0.00 C ATOM 0 H LEU A 58 -6.040 -5.003 -5.752 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.310 -4.765 -6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.172 -6.186 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.889 -4.589 -4.034 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.158 -5.749 -4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.255 -8.084 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.366 -7.916 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.477 -8.157 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.228 -6.270 -1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.449 -6.259 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.339 -4.763 -2.175 1.00 0.00 H new ATOM 928 N ARG A 59 -4.501 -7.720 -6.899 1.00 0.00 N ATOM 929 CA ARG A 59 -4.154 -9.004 -7.494 1.00 0.00 C ATOM 930 C ARG A 59 -3.380 -8.780 -8.786 1.00 0.00 C ATOM 931 O ARG A 59 -2.367 -9.431 -9.040 1.00 0.00 O ATOM 932 CB ARG A 59 -5.416 -9.823 -7.772 1.00 0.00 C ATOM 933 CG ARG A 59 -6.249 -10.097 -6.531 1.00 0.00 C ATOM 934 CD ARG A 59 -7.504 -10.888 -6.864 1.00 0.00 C ATOM 935 NE ARG A 59 -8.322 -11.138 -5.681 1.00 0.00 N ATOM 936 CZ ARG A 59 -9.518 -11.717 -5.718 1.00 0.00 C ATOM 937 NH1 ARG A 59 -10.033 -12.106 -6.878 1.00 0.00 N ATOM 938 NH2 ARG A 59 -10.199 -11.908 -4.598 1.00 0.00 N ATOM 0 H ARG A 59 -5.501 -7.555 -6.787 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.530 -9.559 -6.794 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.029 -9.294 -8.501 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.130 -10.773 -8.225 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.652 -10.649 -5.806 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.527 -9.153 -6.062 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.091 -10.342 -7.602 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.224 -11.838 -7.319 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.955 -10.852 -4.774 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.511 -11.961 -7.742 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.951 -12.550 -6.905 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.806 -11.611 -3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.117 -12.352 -4.629 1.00 0.00 H new ATOM 952 N SER A 60 -3.873 -7.850 -9.596 1.00 0.00 N ATOM 953 CA SER A 60 -3.218 -7.527 -10.854 1.00 0.00 C ATOM 954 C SER A 60 -1.801 -7.023 -10.602 1.00 0.00 C ATOM 955 O SER A 60 -0.909 -7.211 -11.428 1.00 0.00 O ATOM 956 CB SER A 60 -4.020 -6.472 -11.618 1.00 0.00 C ATOM 957 OG SER A 60 -5.328 -6.935 -11.907 1.00 0.00 O ATOM 0 H SER A 60 -4.718 -7.311 -9.405 1.00 0.00 H new ATOM 0 HA SER A 60 -3.166 -8.434 -11.457 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.077 -5.557 -11.029 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.506 -6.222 -12.546 1.00 0.00 H new ATOM 0 HG SER A 60 -5.820 -6.242 -12.394 1.00 0.00 H new ATOM 963 N LEU A 61 -1.604 -6.379 -9.453 1.00 0.00 N ATOM 964 CA LEU A 61 -0.291 -5.855 -9.096 1.00 0.00 C ATOM 965 C LEU A 61 0.691 -6.984 -8.802 1.00 0.00 C ATOM 966 O LEU A 61 1.859 -6.908 -9.184 1.00 0.00 O ATOM 967 CB LEU A 61 -0.389 -4.915 -7.896 1.00 0.00 C ATOM 968 CG LEU A 61 -0.796 -3.481 -8.233 1.00 0.00 C ATOM 969 CD1 LEU A 61 -2.299 -3.376 -8.432 1.00 0.00 C ATOM 970 CD2 LEU A 61 -0.324 -2.538 -7.144 1.00 0.00 C ATOM 0 H LEU A 61 -2.332 -6.209 -8.759 1.00 0.00 H new ATOM 0 HA LEU A 61 0.083 -5.291 -9.951 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.111 -5.325 -7.190 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.576 -4.894 -7.390 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.319 -3.194 -9.170 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.563 -2.346 -8.671 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.604 -4.028 -9.251 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.809 -3.679 -7.518 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.619 -1.518 -7.393 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.775 -2.824 -6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.762 -2.592 -7.061 1.00 0.00 H new ATOM 982 N LEU A 62 0.222 -8.024 -8.114 1.00 0.00 N ATOM 983 CA LEU A 62 1.070 -9.168 -7.802 1.00 0.00 C ATOM 984 C LEU A 62 1.711 -9.671 -9.082 1.00 0.00 C ATOM 985 O LEU A 62 2.865 -10.101 -9.099 1.00 0.00 O ATOM 986 CB LEU A 62 0.243 -10.290 -7.174 1.00 0.00 C ATOM 987 CG LEU A 62 -0.542 -9.915 -5.914 1.00 0.00 C ATOM 988 CD1 LEU A 62 -1.683 -10.895 -5.695 1.00 0.00 C ATOM 989 CD2 LEU A 62 0.372 -9.894 -4.698 1.00 0.00 C ATOM 0 H LEU A 62 -0.734 -8.096 -7.765 1.00 0.00 H new ATOM 0 HA LEU A 62 1.838 -8.860 -7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.460 -10.659 -7.921 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.912 -11.116 -6.930 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.956 -8.916 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.233 -10.618 -4.796 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.354 -10.870 -6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.281 -11.901 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.205 -9.625 -3.813 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.813 -10.881 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.164 -9.161 -4.851 1.00 0.00 H new ATOM 1001 N HIS A 63 0.932 -9.604 -10.153 1.00 0.00 N ATOM 1002 CA HIS A 63 1.383 -10.029 -11.463 1.00 0.00 C ATOM 1003 C HIS A 63 2.521 -9.139 -11.950 1.00 0.00 C ATOM 1004 O HIS A 63 3.427 -9.599 -12.644 1.00 0.00 O ATOM 1005 CB HIS A 63 0.215 -9.981 -12.446 1.00 0.00 C ATOM 1006 CG HIS A 63 0.561 -10.461 -13.823 1.00 0.00 C ATOM 1007 ND1 HIS A 63 0.312 -11.747 -14.256 1.00 0.00 N ATOM 1008 CD2 HIS A 63 1.135 -9.819 -14.868 1.00 0.00 C ATOM 1009 CE1 HIS A 63 0.719 -11.874 -15.506 1.00 0.00 C ATOM 1010 NE2 HIS A 63 1.221 -10.719 -15.901 1.00 0.00 N ATOM 0 H HIS A 63 -0.026 -9.254 -10.135 1.00 0.00 H new ATOM 0 HA HIS A 63 1.754 -11.052 -11.396 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.602 -10.588 -12.055 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.151 -8.956 -12.510 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.464 -8.790 -14.885 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.652 -12.771 -16.104 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.610 -10.526 -16.824 1.00 0.00 H new ATOM 1019 N ARG A 64 2.469 -7.860 -11.581 1.00 0.00 N ATOM 1020 CA ARG A 64 3.502 -6.917 -11.979 1.00 0.00 C ATOM 1021 C ARG A 64 4.716 -7.044 -11.068 1.00 0.00 C ATOM 1022 O ARG A 64 5.745 -6.406 -11.295 1.00 0.00 O ATOM 1023 CB ARG A 64 2.959 -5.490 -11.944 1.00 0.00 C ATOM 1024 CG ARG A 64 1.734 -5.291 -12.820 1.00 0.00 C ATOM 1025 CD ARG A 64 1.345 -3.825 -12.913 1.00 0.00 C ATOM 1026 NE ARG A 64 0.151 -3.627 -13.730 1.00 0.00 N ATOM 1027 CZ ARG A 64 0.044 -2.690 -14.667 1.00 0.00 C ATOM 1028 NH1 ARG A 64 1.061 -1.875 -14.913 1.00 0.00 N ATOM 1029 NH2 ARG A 64 -1.079 -2.568 -15.361 1.00 0.00 N ATOM 0 H ARG A 64 1.725 -7.459 -11.010 1.00 0.00 H new ATOM 0 HA ARG A 64 3.809 -7.148 -12.999 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.708 -5.229 -10.916 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.742 -4.803 -12.265 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.933 -5.679 -13.819 1.00 0.00 H new ATOM 0 HG3 ARG A 64 0.900 -5.864 -12.416 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.168 -3.433 -11.912 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.173 -3.256 -13.337 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.647 -4.243 -13.573 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.928 -1.966 -14.383 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.977 -1.157 -15.632 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.863 -3.194 -15.176 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.159 -1.848 -16.079 1.00 0.00 H new ATOM 1043 N ASN A 65 4.578 -7.871 -10.033 1.00 0.00 N ATOM 1044 CA ASN A 65 5.662 -8.105 -9.080 1.00 0.00 C ATOM 1045 C ASN A 65 5.940 -6.870 -8.227 1.00 0.00 C ATOM 1046 O ASN A 65 7.064 -6.667 -7.768 1.00 0.00 O ATOM 1047 CB ASN A 65 6.935 -8.541 -9.810 1.00 0.00 C ATOM 1048 CG ASN A 65 6.732 -9.807 -10.620 1.00 0.00 C ATOM 1049 OD1 ASN A 65 7.382 -10.013 -11.645 1.00 0.00 O ATOM 1050 ND2 ASN A 65 5.825 -10.664 -10.164 1.00 0.00 N ATOM 0 H ASN A 65 3.724 -8.391 -9.833 1.00 0.00 H new ATOM 0 HA ASN A 65 5.343 -8.906 -8.413 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.264 -7.739 -10.471 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.731 -8.702 -9.083 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.645 -11.532 -10.668 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.309 -10.454 -9.310 1.00 0.00 H new ATOM 1057 N LEU A 66 4.915 -6.050 -8.016 1.00 0.00 N ATOM 1058 CA LEU A 66 5.062 -4.852 -7.193 1.00 0.00 C ATOM 1059 C LEU A 66 4.608 -5.150 -5.773 1.00 0.00 C ATOM 1060 O LEU A 66 4.995 -4.473 -4.820 1.00 0.00 O ATOM 1061 CB LEU A 66 4.246 -3.688 -7.751 1.00 0.00 C ATOM 1062 CG LEU A 66 4.279 -3.506 -9.275 1.00 0.00 C ATOM 1063 CD1 LEU A 66 3.860 -2.095 -9.640 1.00 0.00 C ATOM 1064 CD2 LEU A 66 5.660 -3.800 -9.841 1.00 0.00 C ATOM 0 H LEU A 66 3.980 -6.190 -8.400 1.00 0.00 H new ATOM 0 HA LEU A 66 6.114 -4.566 -7.199 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.208 -3.819 -7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.602 -2.767 -7.288 1.00 0.00 H new ATOM 0 HG LEU A 66 3.578 -4.217 -9.712 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.887 -1.976 -10.723 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.848 -1.911 -9.280 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.544 -1.382 -9.180 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.647 -3.661 -10.922 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.388 -3.121 -9.397 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.936 -4.829 -9.610 1.00 0.00 H new ATOM 1076 N VAL A 67 3.779 -6.178 -5.652 1.00 0.00 N ATOM 1077 CA VAL A 67 3.261 -6.615 -4.364 1.00 0.00 C ATOM 1078 C VAL A 67 3.444 -8.122 -4.212 1.00 0.00 C ATOM 1079 O VAL A 67 3.636 -8.832 -5.199 1.00 0.00 O ATOM 1080 CB VAL A 67 1.770 -6.267 -4.203 1.00 0.00 C ATOM 1081 CG1 VAL A 67 1.585 -4.775 -3.985 1.00 0.00 C ATOM 1082 CG2 VAL A 67 0.988 -6.727 -5.417 1.00 0.00 C ATOM 0 H VAL A 67 3.448 -6.731 -6.442 1.00 0.00 H new ATOM 0 HA VAL A 67 3.821 -6.090 -3.590 1.00 0.00 H new ATOM 0 HB VAL A 67 1.389 -6.788 -3.325 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.524 -4.552 -3.874 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.116 -4.470 -3.083 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.982 -4.230 -4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.065 -6.474 -5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.374 -6.232 -6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.091 -7.806 -5.529 1.00 0.00 H new ATOM 1092 N LEU A 68 3.383 -8.606 -2.979 1.00 0.00 N ATOM 1093 CA LEU A 68 3.555 -10.030 -2.715 1.00 0.00 C ATOM 1094 C LEU A 68 2.279 -10.640 -2.148 1.00 0.00 C ATOM 1095 O LEU A 68 1.597 -10.016 -1.347 1.00 0.00 O ATOM 1096 CB LEU A 68 4.700 -10.245 -1.727 1.00 0.00 C ATOM 1097 CG LEU A 68 5.135 -11.702 -1.553 1.00 0.00 C ATOM 1098 CD1 LEU A 68 5.729 -12.241 -2.845 1.00 0.00 C ATOM 1099 CD2 LEU A 68 6.129 -11.829 -0.412 1.00 0.00 C ATOM 0 H LEU A 68 3.217 -8.038 -2.149 1.00 0.00 H new ATOM 0 HA LEU A 68 3.787 -10.521 -3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.559 -9.661 -2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.401 -9.852 -0.755 1.00 0.00 H new ATOM 0 HG LEU A 68 4.255 -12.296 -1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.032 -13.278 -2.701 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.983 -12.188 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.598 -11.644 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.427 -12.872 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.008 -11.221 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.667 -11.485 0.513 1.00 0.00 H new ATOM 1111 N ARG A 69 1.970 -11.864 -2.570 1.00 0.00 N ATOM 1112 CA ARG A 69 0.778 -12.564 -2.089 1.00 0.00 C ATOM 1113 C ARG A 69 1.163 -13.798 -1.281 1.00 0.00 C ATOM 1114 O ARG A 69 2.216 -14.395 -1.505 1.00 0.00 O ATOM 1115 CB ARG A 69 -0.131 -12.965 -3.251 1.00 0.00 C ATOM 1116 CG ARG A 69 0.615 -13.527 -4.445 1.00 0.00 C ATOM 1117 CD ARG A 69 -0.300 -14.351 -5.334 1.00 0.00 C ATOM 1118 NE ARG A 69 0.405 -14.902 -6.489 1.00 0.00 N ATOM 1119 CZ ARG A 69 -0.187 -15.613 -7.445 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -1.490 -15.853 -7.385 1.00 0.00 N ATOM 1121 NH2 ARG A 69 0.524 -16.082 -8.460 1.00 0.00 N ATOM 0 H ARG A 69 2.526 -12.392 -3.243 1.00 0.00 H new ATOM 0 HA ARG A 69 0.231 -11.877 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.848 -13.707 -2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.704 -12.094 -3.569 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.047 -12.710 -5.023 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.443 -14.146 -4.100 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -0.733 -15.165 -4.752 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.127 -13.729 -5.677 1.00 0.00 H new ATOM 0 HE ARG A 69 1.408 -14.732 -6.567 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.040 -15.492 -6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.942 -16.398 -8.119 1.00 0.00 H new ATOM 0 HH21 ARG A 69 1.526 -15.898 -8.509 1.00 0.00 H new ATOM 0 HH22 ARG A 69 0.069 -16.627 -9.192 1.00 0.00 H new ATOM 1135 N THR A 70 0.302 -14.176 -0.340 1.00 0.00 N ATOM 1136 CA THR A 70 0.570 -15.330 0.510 1.00 0.00 C ATOM 1137 C THR A 70 -0.638 -16.248 0.653 1.00 0.00 C ATOM 1138 O THR A 70 -1.650 -16.103 -0.032 1.00 0.00 O ATOM 1139 CB THR A 70 1.061 -14.944 1.917 1.00 0.00 C ATOM 1140 OG1 THR A 70 -0.034 -14.509 2.720 1.00 0.00 O ATOM 1141 CG2 THR A 70 2.116 -13.856 1.846 1.00 0.00 C ATOM 0 H THR A 70 -0.581 -13.703 -0.148 1.00 0.00 H new ATOM 0 HA THR A 70 1.368 -15.864 -0.006 1.00 0.00 H new ATOM 0 HB THR A 70 1.509 -15.827 2.372 1.00 0.00 H new ATOM 0 HG1 THR A 70 -0.330 -15.245 3.296 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.445 -13.602 2.854 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.967 -14.212 1.265 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.695 -12.971 1.369 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.478 -17.197 1.563 1.00 0.00 N ATOM 1150 CA HIS A 71 -1.462 -18.233 1.867 1.00 0.00 C ATOM 1151 C HIS A 71 -2.916 -17.852 1.549 1.00 0.00 C ATOM 1152 O HIS A 71 -3.567 -18.565 0.788 1.00 0.00 O ATOM 1153 CB HIS A 71 -1.357 -18.479 3.367 1.00 0.00 C ATOM 1154 CG HIS A 71 -1.001 -19.876 3.749 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -1.782 -20.974 3.452 1.00 0.00 N ATOM 1156 CD2 HIS A 71 0.074 -20.348 4.418 1.00 0.00 C ATOM 1157 CE1 HIS A 71 -1.199 -22.062 3.925 1.00 0.00 C ATOM 1158 NE2 HIS A 71 -0.071 -21.709 4.515 1.00 0.00 N ATOM 0 H HIS A 71 0.366 -17.272 2.130 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.240 -19.101 1.246 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.609 -17.803 3.780 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.310 -18.222 3.830 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.895 -19.763 4.805 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.580 -23.069 3.843 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.585 -22.345 4.969 1.00 0.00 H new ATOM 1167 N GLN A 72 -3.396 -16.741 2.136 1.00 0.00 N ATOM 1168 CA GLN A 72 -4.784 -16.261 1.904 1.00 0.00 C ATOM 1169 C GLN A 72 -5.545 -16.147 3.234 1.00 0.00 C ATOM 1170 O GLN A 72 -5.711 -17.150 3.929 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.581 -17.164 0.955 1.00 0.00 C ATOM 1172 CG GLN A 72 -6.989 -16.663 0.675 1.00 0.00 C ATOM 1173 CD GLN A 72 -7.750 -17.564 -0.277 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -8.429 -18.501 0.145 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -7.641 -17.285 -1.571 1.00 0.00 N ATOM 0 H GLN A 72 -2.853 -16.157 2.772 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.689 -15.282 1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -5.041 -17.251 0.012 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.639 -18.165 1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.537 -16.587 1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -6.936 -15.659 0.255 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.067 -16.499 -1.877 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -8.131 -17.857 -2.259 1.00 0.00 H new ATOM 1184 N PRO A 73 -6.025 -14.935 3.624 1.00 0.00 N ATOM 1185 CA PRO A 73 -5.863 -13.687 2.854 1.00 0.00 C ATOM 1186 C PRO A 73 -4.410 -13.434 2.493 1.00 0.00 C ATOM 1187 O PRO A 73 -3.558 -13.289 3.370 1.00 0.00 O ATOM 1188 CB PRO A 73 -6.376 -12.607 3.808 1.00 0.00 C ATOM 1189 CG PRO A 73 -7.330 -13.319 4.701 1.00 0.00 C ATOM 1190 CD PRO A 73 -6.774 -14.705 4.874 1.00 0.00 C ATOM 0 HA PRO A 73 -6.398 -13.715 1.905 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.560 -12.159 4.376 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.868 -11.800 3.265 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.420 -12.811 5.661 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.327 -13.350 4.262 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.126 -14.771 5.748 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.566 -15.441 5.008 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.136 -13.388 1.195 1.00 0.00 N ATOM 1199 CA ALA A 74 -2.773 -13.201 0.736 1.00 0.00 C ATOM 1200 C ALA A 74 -2.125 -11.987 1.372 1.00 0.00 C ATOM 1201 O ALA A 74 -2.437 -10.850 1.024 1.00 0.00 O ATOM 1202 CB ALA A 74 -2.744 -13.082 -0.780 1.00 0.00 C ATOM 0 H ALA A 74 -4.831 -13.477 0.454 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.198 -14.076 1.040 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.716 -12.942 -1.114 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.149 -13.991 -1.224 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.346 -12.228 -1.089 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.226 -12.239 2.312 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.508 -11.159 2.965 1.00 0.00 C ATOM 1210 C ARG A 75 0.249 -10.388 1.890 1.00 0.00 C ATOM 1211 O ARG A 75 0.956 -10.987 1.080 1.00 0.00 O ATOM 1212 CB ARG A 75 0.456 -11.733 4.009 1.00 0.00 C ATOM 1213 CG ARG A 75 -0.224 -12.651 5.020 1.00 0.00 C ATOM 1214 CD ARG A 75 0.744 -13.674 5.602 1.00 0.00 C ATOM 1215 NE ARG A 75 0.233 -14.270 6.833 1.00 0.00 N ATOM 1216 CZ ARG A 75 0.859 -15.235 7.500 1.00 0.00 C ATOM 1217 NH1 ARG A 75 2.014 -15.711 7.055 1.00 0.00 N ATOM 1218 NH2 ARG A 75 0.330 -15.725 8.612 1.00 0.00 N ATOM 0 H ARG A 75 -0.979 -13.174 2.636 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.197 -10.491 3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.245 -12.287 3.499 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.936 -10.911 4.541 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.647 -12.052 5.827 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.053 -13.169 4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.927 -14.459 4.868 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.702 -13.194 5.802 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.654 -13.927 7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.424 -15.337 6.199 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.492 -16.451 7.568 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.558 -15.362 8.957 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.811 -16.465 9.123 1.00 0.00 H new ATOM 1232 N TYR A 76 0.105 -9.069 1.877 1.00 0.00 N ATOM 1233 CA TYR A 76 0.765 -8.290 0.840 1.00 0.00 C ATOM 1234 C TYR A 76 2.011 -7.581 1.339 1.00 0.00 C ATOM 1235 O TYR A 76 1.993 -6.887 2.355 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.222 -7.307 0.208 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.371 -8.012 -0.480 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -1.152 -8.776 -1.621 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.664 -7.936 0.021 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -2.189 -9.440 -2.246 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.707 -8.602 -0.596 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.464 -9.352 -1.728 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.499 -10.020 -2.343 1.00 0.00 O ATOM 0 H TYR A 76 -0.443 -8.532 2.548 1.00 0.00 H new ATOM 0 HA TYR A 76 1.103 -8.989 0.075 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.614 -6.643 0.978 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.303 -6.682 -0.514 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.153 -8.851 -2.025 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.858 -7.348 0.906 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.003 -10.025 -3.135 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.707 -8.535 -0.194 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.332 -9.855 -1.853 1.00 0.00 H new ATOM 1253 N SER A 77 3.097 -7.768 0.591 1.00 0.00 N ATOM 1254 CA SER A 77 4.374 -7.160 0.940 1.00 0.00 C ATOM 1255 C SER A 77 4.997 -6.486 -0.279 1.00 0.00 C ATOM 1256 O SER A 77 5.048 -7.068 -1.362 1.00 0.00 O ATOM 1257 CB SER A 77 5.332 -8.217 1.493 1.00 0.00 C ATOM 1258 OG SER A 77 4.787 -8.849 2.638 1.00 0.00 O ATOM 0 H SER A 77 3.116 -8.334 -0.257 1.00 0.00 H new ATOM 0 HA SER A 77 4.195 -6.406 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.538 -8.963 0.725 1.00 0.00 H new ATOM 0 HB3 SER A 77 6.284 -7.752 1.749 1.00 0.00 H new ATOM 0 HG SER A 77 5.417 -9.521 2.972 1.00 0.00 H new ATOM 1264 N LEU A 78 5.471 -5.259 -0.095 1.00 0.00 N ATOM 1265 CA LEU A 78 6.087 -4.511 -1.185 1.00 0.00 C ATOM 1266 C LEU A 78 7.277 -5.249 -1.787 1.00 0.00 C ATOM 1267 O LEU A 78 8.199 -5.638 -1.069 1.00 0.00 O ATOM 1268 CB LEU A 78 6.587 -3.158 -0.684 1.00 0.00 C ATOM 1269 CG LEU A 78 5.556 -2.037 -0.617 1.00 0.00 C ATOM 1270 CD1 LEU A 78 6.244 -0.733 -0.263 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.819 -1.901 -1.936 1.00 0.00 C ATOM 0 H LEU A 78 5.441 -4.762 0.795 1.00 0.00 H new ATOM 0 HA LEU A 78 5.318 -4.387 -1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.006 -3.296 0.312 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.402 -2.834 -1.331 1.00 0.00 H new ATOM 0 HG LEU A 78 4.825 -2.280 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.505 0.067 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.735 -0.832 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.988 -0.496 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.089 -1.095 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.532 -1.675 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.306 -2.835 -2.164 1.00 0.00 H new ATOM 1283 N THR A 79 7.258 -5.441 -3.102 1.00 0.00 N ATOM 1284 CA THR A 79 8.386 -6.082 -3.759 1.00 0.00 C ATOM 1285 C THR A 79 9.366 -4.989 -4.207 1.00 0.00 C ATOM 1286 O THR A 79 9.100 -3.816 -3.971 1.00 0.00 O ATOM 1287 CB THR A 79 7.909 -6.926 -4.957 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.496 -6.793 -5.114 1.00 0.00 O ATOM 1289 CG2 THR A 79 8.254 -8.397 -4.761 1.00 0.00 C ATOM 0 H THR A 79 6.493 -5.169 -3.719 1.00 0.00 H new ATOM 0 HA THR A 79 8.886 -6.760 -3.067 1.00 0.00 H new ATOM 0 HB THR A 79 8.418 -6.562 -5.850 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.131 -7.616 -5.501 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.906 -8.970 -5.621 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.334 -8.508 -4.664 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.769 -8.767 -3.858 1.00 0.00 H new ATOM 1297 N PRO A 80 10.507 -5.325 -4.843 1.00 0.00 N ATOM 1298 CA PRO A 80 11.482 -4.314 -5.281 1.00 0.00 C ATOM 1299 C PRO A 80 10.849 -3.101 -5.957 1.00 0.00 C ATOM 1300 O PRO A 80 11.075 -1.966 -5.540 1.00 0.00 O ATOM 1301 CB PRO A 80 12.332 -5.088 -6.281 1.00 0.00 C ATOM 1302 CG PRO A 80 12.334 -6.479 -5.756 1.00 0.00 C ATOM 1303 CD PRO A 80 10.973 -6.694 -5.152 1.00 0.00 C ATOM 0 HA PRO A 80 12.029 -3.893 -4.437 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.909 -5.041 -7.284 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.342 -4.684 -6.342 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.525 -7.197 -6.553 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.118 -6.614 -5.011 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.302 -7.198 -5.847 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.026 -7.311 -4.255 1.00 0.00 H new ATOM 1311 N GLU A 81 10.059 -3.338 -6.995 1.00 0.00 N ATOM 1312 CA GLU A 81 9.423 -2.239 -7.705 1.00 0.00 C ATOM 1313 C GLU A 81 8.428 -1.503 -6.812 1.00 0.00 C ATOM 1314 O GLU A 81 8.360 -0.275 -6.832 1.00 0.00 O ATOM 1315 CB GLU A 81 8.720 -2.754 -8.958 1.00 0.00 C ATOM 1316 CG GLU A 81 9.650 -3.447 -9.938 1.00 0.00 C ATOM 1317 CD GLU A 81 8.942 -3.872 -11.210 1.00 0.00 C ATOM 1318 OE1 GLU A 81 8.900 -3.067 -12.163 1.00 0.00 O ATOM 1319 OE2 GLU A 81 8.432 -5.011 -11.253 1.00 0.00 O ATOM 0 H GLU A 81 9.846 -4.267 -7.359 1.00 0.00 H new ATOM 0 HA GLU A 81 10.202 -1.535 -7.996 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.934 -3.449 -8.663 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.234 -1.918 -9.461 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.472 -2.777 -10.190 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.089 -4.323 -9.460 1.00 0.00 H new ATOM 1326 N GLY A 82 7.657 -2.256 -6.032 1.00 0.00 N ATOM 1327 CA GLY A 82 6.694 -1.620 -5.149 1.00 0.00 C ATOM 1328 C GLY A 82 7.371 -0.825 -4.057 1.00 0.00 C ATOM 1329 O GLY A 82 6.809 0.139 -3.538 1.00 0.00 O ATOM 0 H GLY A 82 7.679 -3.275 -5.994 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.048 -0.962 -5.730 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.054 -2.381 -4.701 1.00 0.00 H new ATOM 1333 N LEU A 83 8.583 -1.236 -3.708 1.00 0.00 N ATOM 1334 CA LEU A 83 9.356 -0.563 -2.678 1.00 0.00 C ATOM 1335 C LEU A 83 9.782 0.806 -3.170 1.00 0.00 C ATOM 1336 O LEU A 83 9.610 1.811 -2.479 1.00 0.00 O ATOM 1337 CB LEU A 83 10.591 -1.390 -2.313 1.00 0.00 C ATOM 1338 CG LEU A 83 10.863 -1.541 -0.813 1.00 0.00 C ATOM 1339 CD1 LEU A 83 11.086 -0.186 -0.163 1.00 0.00 C ATOM 1340 CD2 LEU A 83 9.715 -2.268 -0.134 1.00 0.00 C ATOM 0 H LEU A 83 9.053 -2.038 -4.128 1.00 0.00 H new ATOM 0 HA LEU A 83 8.735 -0.451 -1.790 1.00 0.00 H new ATOM 0 HB2 LEU A 83 10.482 -2.384 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.464 -0.933 -2.779 1.00 0.00 H new ATOM 0 HG LEU A 83 11.771 -2.132 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 83 11.277 -0.320 0.902 1.00 0.00 H new ATOM 0 HD12 LEU A 83 11.943 0.303 -0.627 1.00 0.00 H new ATOM 0 HD13 LEU A 83 10.198 0.432 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 83 9.926 -2.366 0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 83 8.794 -1.702 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 83 9.601 -3.259 -0.574 1.00 0.00 H new ATOM 1352 N GLU A 84 10.338 0.837 -4.375 1.00 0.00 N ATOM 1353 CA GLU A 84 10.780 2.099 -4.955 1.00 0.00 C ATOM 1354 C GLU A 84 9.585 2.977 -5.262 1.00 0.00 C ATOM 1355 O GLU A 84 9.570 4.162 -4.941 1.00 0.00 O ATOM 1356 CB GLU A 84 11.579 1.858 -6.238 1.00 0.00 C ATOM 1357 CG GLU A 84 12.731 0.887 -6.067 1.00 0.00 C ATOM 1358 CD GLU A 84 13.548 0.722 -7.333 1.00 0.00 C ATOM 1359 OE1 GLU A 84 13.207 -0.159 -8.150 1.00 0.00 O ATOM 1360 OE2 GLU A 84 14.529 1.475 -7.508 1.00 0.00 O ATOM 0 H GLU A 84 10.492 0.017 -4.962 1.00 0.00 H new ATOM 0 HA GLU A 84 11.423 2.599 -4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.907 1.478 -7.008 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.969 2.811 -6.597 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.380 1.236 -5.264 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.341 -0.084 -5.762 1.00 0.00 H new ATOM 1367 N LEU A 85 8.576 2.372 -5.878 1.00 0.00 N ATOM 1368 CA LEU A 85 7.371 3.095 -6.236 1.00 0.00 C ATOM 1369 C LEU A 85 6.732 3.710 -4.998 1.00 0.00 C ATOM 1370 O LEU A 85 6.306 4.864 -5.016 1.00 0.00 O ATOM 1371 CB LEU A 85 6.393 2.145 -6.934 1.00 0.00 C ATOM 1372 CG LEU A 85 5.127 2.792 -7.501 1.00 0.00 C ATOM 1373 CD1 LEU A 85 4.621 2.004 -8.699 1.00 0.00 C ATOM 1374 CD2 LEU A 85 4.048 2.876 -6.434 1.00 0.00 C ATOM 0 H LEU A 85 8.572 1.386 -6.137 1.00 0.00 H new ATOM 0 HA LEU A 85 7.628 3.904 -6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.919 1.646 -7.748 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.097 1.372 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 85 5.373 3.803 -7.826 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.720 2.476 -9.091 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.388 1.986 -9.473 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.391 0.983 -8.393 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.155 3.339 -6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.806 1.873 -6.082 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.408 3.476 -5.599 1.00 0.00 H new ATOM 1386 N ALA A 86 6.687 2.940 -3.917 1.00 0.00 N ATOM 1387 CA ALA A 86 6.093 3.413 -2.670 1.00 0.00 C ATOM 1388 C ALA A 86 6.834 4.626 -2.127 1.00 0.00 C ATOM 1389 O ALA A 86 6.212 5.575 -1.651 1.00 0.00 O ATOM 1390 CB ALA A 86 6.066 2.301 -1.636 1.00 0.00 C ATOM 0 H ALA A 86 7.053 1.989 -3.877 1.00 0.00 H new ATOM 0 HA ALA A 86 5.068 3.716 -2.885 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.620 2.673 -0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.475 1.467 -2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.083 1.964 -1.437 1.00 0.00 H new ATOM 1396 N GLN A 87 8.163 4.594 -2.192 1.00 0.00 N ATOM 1397 CA GLN A 87 8.959 5.717 -1.714 1.00 0.00 C ATOM 1398 C GLN A 87 8.531 6.984 -2.437 1.00 0.00 C ATOM 1399 O GLN A 87 8.530 8.076 -1.870 1.00 0.00 O ATOM 1400 CB GLN A 87 10.450 5.462 -1.944 1.00 0.00 C ATOM 1401 CG GLN A 87 11.017 4.339 -1.092 1.00 0.00 C ATOM 1402 CD GLN A 87 12.492 4.101 -1.346 1.00 0.00 C ATOM 1403 OE1 GLN A 87 13.350 4.702 -0.699 1.00 0.00 O ATOM 1404 NE2 GLN A 87 12.796 3.221 -2.292 1.00 0.00 N ATOM 0 H GLN A 87 8.703 3.814 -2.566 1.00 0.00 H new ATOM 0 HA GLN A 87 8.794 5.834 -0.643 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.611 5.225 -2.996 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.002 6.378 -1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.867 4.576 -0.039 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.465 3.421 -1.294 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.053 2.745 -2.804 1.00 0.00 H new ATOM 0 HE22 GLN A 87 13.773 3.020 -2.507 1.00 0.00 H new ATOM 1413 N LYS A 88 8.166 6.815 -3.701 1.00 0.00 N ATOM 1414 CA LYS A 88 7.715 7.931 -4.517 1.00 0.00 C ATOM 1415 C LYS A 88 6.370 8.447 -4.019 1.00 0.00 C ATOM 1416 O LYS A 88 6.191 9.646 -3.804 1.00 0.00 O ATOM 1417 CB LYS A 88 7.598 7.489 -5.971 1.00 0.00 C ATOM 1418 CG LYS A 88 8.797 6.685 -6.452 1.00 0.00 C ATOM 1419 CD LYS A 88 8.644 6.236 -7.896 1.00 0.00 C ATOM 1420 CE LYS A 88 9.737 5.250 -8.290 1.00 0.00 C ATOM 1421 NZ LYS A 88 9.601 4.810 -9.706 1.00 0.00 N ATOM 0 H LYS A 88 8.174 5.916 -4.182 1.00 0.00 H new ATOM 0 HA LYS A 88 8.444 8.738 -4.443 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.695 6.890 -6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.482 8.369 -6.603 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.700 7.288 -6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.927 5.811 -5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.667 5.772 -8.033 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.680 7.104 -8.554 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.713 5.713 -8.145 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.696 4.381 -7.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.363 4.140 -9.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 8.680 4.346 -9.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.666 5.636 -10.334 1.00 0.00 H new ATOM 1435 N LEU A 89 5.425 7.529 -3.848 1.00 0.00 N ATOM 1436 CA LEU A 89 4.106 7.883 -3.359 1.00 0.00 C ATOM 1437 C LEU A 89 4.212 8.567 -2.006 1.00 0.00 C ATOM 1438 O LEU A 89 3.351 9.356 -1.618 1.00 0.00 O ATOM 1439 CB LEU A 89 3.260 6.621 -3.234 1.00 0.00 C ATOM 1440 CG LEU A 89 2.625 6.125 -4.532 1.00 0.00 C ATOM 1441 CD1 LEU A 89 3.630 6.097 -5.674 1.00 0.00 C ATOM 1442 CD2 LEU A 89 2.023 4.746 -4.324 1.00 0.00 C ATOM 0 H LEU A 89 5.552 6.536 -4.042 1.00 0.00 H new ATOM 0 HA LEU A 89 3.637 8.571 -4.062 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.884 5.825 -2.828 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.467 6.806 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 89 1.835 6.824 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.141 5.739 -6.580 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.017 7.102 -5.843 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.453 5.430 -5.418 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.573 4.401 -5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.805 4.050 -4.019 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.259 4.796 -3.548 1.00 0.00 H new ATOM 1454 N ALA A 90 5.286 8.248 -1.299 1.00 0.00 N ATOM 1455 CA ALA A 90 5.528 8.810 0.023 1.00 0.00 C ATOM 1456 C ALA A 90 5.951 10.272 -0.064 1.00 0.00 C ATOM 1457 O ALA A 90 5.644 11.069 0.820 1.00 0.00 O ATOM 1458 CB ALA A 90 6.583 7.993 0.749 1.00 0.00 C ATOM 0 H ALA A 90 6.006 7.601 -1.619 1.00 0.00 H new ATOM 0 HA ALA A 90 4.596 8.769 0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.758 8.420 1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.238 6.964 0.854 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.511 8.008 0.178 1.00 0.00 H new ATOM 1464 N GLU A 91 6.659 10.613 -1.135 1.00 0.00 N ATOM 1465 CA GLU A 91 7.122 11.984 -1.335 1.00 0.00 C ATOM 1466 C GLU A 91 5.950 12.950 -1.251 1.00 0.00 C ATOM 1467 O GLU A 91 6.029 13.996 -0.607 1.00 0.00 O ATOM 1468 CB GLU A 91 7.805 12.129 -2.693 1.00 0.00 C ATOM 1469 CG GLU A 91 8.763 11.001 -3.001 1.00 0.00 C ATOM 1470 CD GLU A 91 9.399 11.130 -4.372 1.00 0.00 C ATOM 1471 OE1 GLU A 91 8.747 10.750 -5.367 1.00 0.00 O ATOM 1472 OE2 GLU A 91 10.547 11.614 -4.451 1.00 0.00 O ATOM 0 H GLU A 91 6.925 9.964 -1.875 1.00 0.00 H new ATOM 0 HA GLU A 91 7.842 12.218 -0.551 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.044 12.174 -3.472 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.346 13.075 -2.721 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.546 10.978 -2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.231 10.051 -2.940 1.00 0.00 H new ATOM 1479 N SER A 92 4.865 12.578 -1.915 1.00 0.00 N ATOM 1480 CA SER A 92 3.660 13.392 -1.935 1.00 0.00 C ATOM 1481 C SER A 92 3.066 13.538 -0.535 1.00 0.00 C ATOM 1482 O SER A 92 2.419 14.540 -0.228 1.00 0.00 O ATOM 1483 CB SER A 92 2.637 12.762 -2.878 1.00 0.00 C ATOM 1484 OG SER A 92 1.456 13.542 -2.952 1.00 0.00 O ATOM 0 H SER A 92 4.796 11.712 -2.450 1.00 0.00 H new ATOM 0 HA SER A 92 3.922 14.389 -2.290 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.071 12.660 -3.873 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.391 11.758 -2.533 1.00 0.00 H new ATOM 0 HG SER A 92 0.820 13.116 -3.564 1.00 0.00 H new ATOM 1490 N GLU A 93 3.287 12.534 0.308 1.00 0.00 N ATOM 1491 CA GLU A 93 2.773 12.562 1.669 1.00 0.00 C ATOM 1492 C GLU A 93 3.795 13.178 2.611 1.00 0.00 C ATOM 1493 O GLU A 93 3.547 13.323 3.808 1.00 0.00 O ATOM 1494 CB GLU A 93 2.462 11.141 2.132 1.00 0.00 C ATOM 1495 CG GLU A 93 1.710 10.312 1.108 1.00 0.00 C ATOM 1496 CD GLU A 93 0.277 10.772 0.921 1.00 0.00 C ATOM 1497 OE1 GLU A 93 -0.608 10.268 1.645 1.00 0.00 O ATOM 1498 OE2 GLU A 93 0.040 11.634 0.050 1.00 0.00 O ATOM 0 H GLU A 93 3.817 11.695 0.072 1.00 0.00 H new ATOM 0 HA GLU A 93 1.865 13.164 1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.397 10.637 2.378 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.875 11.188 3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.231 10.363 0.152 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.714 9.267 1.418 1.00 0.00 H new ATOM 1505 N GLY A 94 4.947 13.540 2.059 1.00 0.00 N ATOM 1506 CA GLY A 94 5.992 14.102 2.889 1.00 0.00 C ATOM 1507 C GLY A 94 6.755 13.000 3.586 1.00 0.00 C ATOM 1508 O GLY A 94 7.670 13.253 4.371 1.00 0.00 O ATOM 0 H GLY A 94 5.173 13.456 1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.672 14.695 2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.557 14.776 3.627 1.00 0.00 H new ATOM 1512 N LEU A 95 6.356 11.766 3.287 1.00 0.00 N ATOM 1513 CA LEU A 95 6.973 10.580 3.860 1.00 0.00 C ATOM 1514 C LEU A 95 6.802 10.561 5.374 1.00 0.00 C ATOM 1515 O LEU A 95 7.612 9.981 6.096 1.00 0.00 O ATOM 1516 CB LEU A 95 8.455 10.516 3.489 1.00 0.00 C ATOM 1517 CG LEU A 95 8.950 9.148 3.003 1.00 0.00 C ATOM 1518 CD1 LEU A 95 10.468 9.081 3.052 1.00 0.00 C ATOM 1519 CD2 LEU A 95 8.331 8.020 3.820 1.00 0.00 C ATOM 0 H LEU A 95 5.594 11.564 2.639 1.00 0.00 H new ATOM 0 HA LEU A 95 6.474 9.703 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.650 11.252 2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.043 10.809 4.358 1.00 0.00 H new ATOM 0 HG LEU A 95 8.634 9.022 1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 95 10.800 8.103 2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 95 10.887 9.856 2.411 1.00 0.00 H new ATOM 0 HD13 LEU A 95 10.806 9.235 4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.699 7.061 3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.605 8.138 4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.246 8.053 3.722 1.00 0.00 H new ATOM 1531 N SER A 96 5.731 11.191 5.842 1.00 0.00 N ATOM 1532 CA SER A 96 5.444 11.245 7.269 1.00 0.00 C ATOM 1533 C SER A 96 4.396 10.201 7.640 1.00 0.00 C ATOM 1534 O SER A 96 3.657 10.362 8.612 1.00 0.00 O ATOM 1535 CB SER A 96 4.953 12.642 7.654 1.00 0.00 C ATOM 1536 OG SER A 96 4.705 12.734 9.046 1.00 0.00 O ATOM 0 H SER A 96 5.049 11.671 5.255 1.00 0.00 H new ATOM 0 HA SER A 96 6.361 11.029 7.817 1.00 0.00 H new ATOM 0 HB2 SER A 96 5.697 13.384 7.365 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.041 12.874 7.104 1.00 0.00 H new ATOM 0 HG SER A 96 4.235 11.929 9.349 1.00 0.00 H new ATOM 1542 N LEU A 97 4.346 9.123 6.863 1.00 0.00 N ATOM 1543 CA LEU A 97 3.381 8.060 7.116 1.00 0.00 C ATOM 1544 C LEU A 97 3.691 7.350 8.428 1.00 0.00 C ATOM 1545 O LEU A 97 3.036 7.589 9.443 1.00 0.00 O ATOM 1546 CB LEU A 97 3.375 7.052 5.964 1.00 0.00 C ATOM 1547 CG LEU A 97 2.943 7.608 4.603 1.00 0.00 C ATOM 1548 CD1 LEU A 97 4.029 8.493 4.006 1.00 0.00 C ATOM 1549 CD2 LEU A 97 2.597 6.473 3.654 1.00 0.00 C ATOM 0 H LEU A 97 4.956 8.964 6.061 1.00 0.00 H new ATOM 0 HA LEU A 97 2.393 8.514 7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 97 4.377 6.634 5.865 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.711 6.229 6.228 1.00 0.00 H new ATOM 0 HG LEU A 97 2.054 8.221 4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.697 8.875 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 97 4.228 9.328 4.678 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.940 7.910 3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.292 6.884 2.692 1.00 0.00 H new ATOM 0 HD22 LEU A 97 3.470 5.835 3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.780 5.885 4.073 1.00 0.00 H new