USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 728 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 44 THR OG1 : rot 42:sc= 0.628 USER MOD Set 1.2: A 94 SER OG : rot -120:sc= 0.494 USER MOD Set 2.1: A 25 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 28 THR OG1 : rot -170:sc= 0.00192 USER MOD Single : A 1 GLY N :NH3+ 169:sc= 0.0199 (180deg=0.0099) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 18:sc= 0.329 USER MOD Single : A 8 MET CE :methyl 161:sc= -0.0267 (180deg=-0.294) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.388 K(o=-0.39,f=-3.9!) USER MOD Single : A 22 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 170:sc= -0.223 USER MOD Single : A 31 GLN : amide:sc= -0.961 X(o=-0.96,f=-1) USER MOD Single : A 39 GLN : amide:sc= -2.83! C(o=-2.8!,f=-3!) USER MOD Single : A 47 TYR OH : rot 150:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 81:sc= 0.0465 USER MOD Single : A 59 HIS : no HD1:sc= -0.29 X(o=-0.29,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.43 K(o=-0.43,f=-1.6) USER MOD Single : A 65 ASN : amide:sc= -1.38 K(o=-1.4,f=-5.3!) USER MOD Single : A 69 SER OG : rot 120:sc= -1.07 USER MOD Single : A 71 ASN : amide:sc= -3.67! C(o=-3.7!,f=-5.2!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0773 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 87 THR OG1 : rot -66:sc= 0.548 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.577 -0.317 -10.223 1.00 0.00 N ATOM 2 CA GLY A 1 3.829 0.077 -10.841 1.00 0.00 C ATOM 3 C GLY A 1 4.181 1.525 -10.564 1.00 0.00 C ATOM 4 O GLY A 1 3.392 2.428 -10.842 1.00 0.00 O ATOM 0 H1 GLY A 1 2.286 -1.246 -10.589 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.702 -0.375 -9.192 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.844 0.387 -10.444 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.630 -0.565 -10.474 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.764 -0.078 -11.918 1.00 0.00 H new ATOM 8 N SER A 2 5.370 1.749 -10.012 1.00 0.00 N ATOM 9 CA SER A 2 5.823 3.097 -9.692 1.00 0.00 C ATOM 10 C SER A 2 7.261 3.311 -10.154 1.00 0.00 C ATOM 11 O SER A 2 7.945 2.367 -10.548 1.00 0.00 O ATOM 12 CB SER A 2 5.716 3.350 -8.187 1.00 0.00 C ATOM 13 OG SER A 2 4.363 3.494 -7.790 1.00 0.00 O ATOM 0 H SER A 2 6.037 1.014 -9.777 1.00 0.00 H new ATOM 0 HA SER A 2 5.182 3.804 -10.219 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.172 2.523 -7.643 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.273 4.250 -7.926 1.00 0.00 H new ATOM 0 HG SER A 2 4.321 3.653 -6.824 1.00 0.00 H new ATOM 19 N SER A 3 7.713 4.560 -10.102 1.00 0.00 N ATOM 20 CA SER A 3 9.069 4.900 -10.518 1.00 0.00 C ATOM 21 C SER A 3 9.440 6.308 -10.063 1.00 0.00 C ATOM 22 O SER A 3 8.824 7.289 -10.477 1.00 0.00 O ATOM 23 CB SER A 3 9.200 4.793 -12.039 1.00 0.00 C ATOM 24 OG SER A 3 10.558 4.860 -12.439 1.00 0.00 O ATOM 0 H SER A 3 7.160 5.353 -9.776 1.00 0.00 H new ATOM 0 HA SER A 3 9.754 4.193 -10.050 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.763 3.854 -12.380 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.638 5.597 -12.513 1.00 0.00 H new ATOM 0 HG SER A 3 10.616 4.788 -13.415 1.00 0.00 H new ATOM 30 N GLY A 4 10.453 6.399 -9.206 1.00 0.00 N ATOM 31 CA GLY A 4 10.889 7.690 -8.707 1.00 0.00 C ATOM 32 C GLY A 4 11.064 7.701 -7.201 1.00 0.00 C ATOM 33 O GLY A 4 10.938 6.665 -6.547 1.00 0.00 O ATOM 0 H GLY A 4 10.979 5.602 -8.849 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.833 7.959 -9.181 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.161 8.450 -8.991 1.00 0.00 H new ATOM 37 N SER A 5 11.356 8.874 -6.650 1.00 0.00 N ATOM 38 CA SER A 5 11.554 9.014 -5.212 1.00 0.00 C ATOM 39 C SER A 5 10.776 10.210 -4.670 1.00 0.00 C ATOM 40 O SER A 5 11.272 10.959 -3.829 1.00 0.00 O ATOM 41 CB SER A 5 13.042 9.174 -4.893 1.00 0.00 C ATOM 42 OG SER A 5 13.702 7.919 -4.898 1.00 0.00 O ATOM 0 H SER A 5 11.461 9.741 -7.177 1.00 0.00 H new ATOM 0 HA SER A 5 11.181 8.110 -4.730 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.505 9.835 -5.625 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.159 9.647 -3.918 1.00 0.00 H new ATOM 0 HG SER A 5 14.652 8.048 -4.693 1.00 0.00 H new ATOM 48 N SER A 6 9.552 10.382 -5.160 1.00 0.00 N ATOM 49 CA SER A 6 8.705 11.488 -4.730 1.00 0.00 C ATOM 50 C SER A 6 7.229 11.114 -4.832 1.00 0.00 C ATOM 51 O SER A 6 6.765 10.651 -5.872 1.00 0.00 O ATOM 52 CB SER A 6 8.987 12.733 -5.574 1.00 0.00 C ATOM 53 OG SER A 6 10.154 13.400 -5.124 1.00 0.00 O ATOM 0 H SER A 6 9.125 9.769 -5.855 1.00 0.00 H new ATOM 0 HA SER A 6 8.936 11.705 -3.687 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.107 12.448 -6.619 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.135 13.411 -5.524 1.00 0.00 H new ATOM 0 HG SER A 6 10.684 12.792 -4.568 1.00 0.00 H new ATOM 59 N GLY A 7 6.496 11.319 -3.741 1.00 0.00 N ATOM 60 CA GLY A 7 5.081 10.999 -3.728 1.00 0.00 C ATOM 61 C GLY A 7 4.436 11.277 -2.384 1.00 0.00 C ATOM 62 O GLY A 7 4.811 12.224 -1.693 1.00 0.00 O ATOM 0 H GLY A 7 6.857 11.701 -2.867 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.573 11.580 -4.498 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.947 9.947 -3.981 1.00 0.00 H new ATOM 66 N MET A 8 3.463 10.452 -2.014 1.00 0.00 N ATOM 67 CA MET A 8 2.764 10.615 -0.745 1.00 0.00 C ATOM 68 C MET A 8 3.070 9.455 0.197 1.00 0.00 C ATOM 69 O MET A 8 3.429 8.364 -0.245 1.00 0.00 O ATOM 70 CB MET A 8 1.255 10.714 -0.977 1.00 0.00 C ATOM 71 CG MET A 8 0.853 11.881 -1.865 1.00 0.00 C ATOM 72 SD MET A 8 -0.878 12.343 -1.663 1.00 0.00 S ATOM 73 CE MET A 8 -0.833 13.133 -0.056 1.00 0.00 C ATOM 0 H MET A 8 3.140 9.664 -2.575 1.00 0.00 H new ATOM 0 HA MET A 8 3.114 11.538 -0.283 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.903 9.786 -1.428 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.753 10.811 -0.014 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.483 12.740 -1.637 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.036 11.619 -2.907 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.717 13.759 0.067 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.817 12.371 0.724 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.062 13.750 0.021 1.00 0.00 H new ATOM 83 N GLU A 9 2.925 9.698 1.496 1.00 0.00 N ATOM 84 CA GLU A 9 3.188 8.673 2.499 1.00 0.00 C ATOM 85 C GLU A 9 1.883 8.090 3.035 1.00 0.00 C ATOM 86 O GLU A 9 0.894 8.804 3.204 1.00 0.00 O ATOM 87 CB GLU A 9 4.012 9.253 3.650 1.00 0.00 C ATOM 88 CG GLU A 9 5.337 9.851 3.209 1.00 0.00 C ATOM 89 CD GLU A 9 5.193 11.271 2.697 1.00 0.00 C ATOM 90 OE1 GLU A 9 4.585 12.100 3.406 1.00 0.00 O ATOM 91 OE2 GLU A 9 5.690 11.554 1.586 1.00 0.00 O ATOM 0 H GLU A 9 2.627 10.596 1.878 1.00 0.00 H new ATOM 0 HA GLU A 9 3.756 7.873 2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.426 10.022 4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.203 8.467 4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.034 9.840 4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.770 9.228 2.426 1.00 0.00 H new ATOM 98 N LEU A 10 1.889 6.789 3.301 1.00 0.00 N ATOM 99 CA LEU A 10 0.706 6.108 3.819 1.00 0.00 C ATOM 100 C LEU A 10 1.076 5.163 4.957 1.00 0.00 C ATOM 101 O LEU A 10 1.928 4.288 4.800 1.00 0.00 O ATOM 102 CB LEU A 10 0.011 5.331 2.700 1.00 0.00 C ATOM 103 CG LEU A 10 -1.504 5.172 2.834 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.202 6.503 2.605 1.00 0.00 C ATOM 105 CD2 LEU A 10 -2.018 4.123 1.859 1.00 0.00 C ATOM 0 H LEU A 10 2.699 6.184 3.167 1.00 0.00 H new ATOM 0 HA LEU A 10 0.023 6.863 4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.222 5.829 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.457 4.338 2.643 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.727 4.838 3.847 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.279 6.371 2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.856 7.227 3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.972 6.867 1.604 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.098 4.023 1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.783 4.428 0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.542 3.166 2.070 1.00 0.00 H new ATOM 117 N LYS A 11 0.429 5.343 6.103 1.00 0.00 N ATOM 118 CA LYS A 11 0.686 4.505 7.268 1.00 0.00 C ATOM 119 C LYS A 11 -0.281 3.327 7.315 1.00 0.00 C ATOM 120 O LYS A 11 -1.469 3.497 7.591 1.00 0.00 O ATOM 121 CB LYS A 11 0.566 5.329 8.552 1.00 0.00 C ATOM 122 CG LYS A 11 1.646 6.387 8.700 1.00 0.00 C ATOM 123 CD LYS A 11 1.293 7.397 9.778 1.00 0.00 C ATOM 124 CE LYS A 11 2.540 7.999 10.408 1.00 0.00 C ATOM 125 NZ LYS A 11 2.212 9.144 11.302 1.00 0.00 N ATOM 0 H LYS A 11 -0.278 6.063 6.250 1.00 0.00 H new ATOM 0 HA LYS A 11 1.701 4.116 7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.410 5.813 8.573 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.607 4.658 9.410 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.594 5.908 8.945 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.785 6.902 7.749 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.682 8.191 9.348 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.692 6.914 10.548 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.065 7.232 10.978 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.218 8.334 9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.088 9.527 11.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.733 9.887 10.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.585 8.820 12.066 1.00 0.00 H new ATOM 139 N VAL A 12 0.235 2.132 7.044 1.00 0.00 N ATOM 140 CA VAL A 12 -0.583 0.925 7.058 1.00 0.00 C ATOM 141 C VAL A 12 0.028 -0.142 7.958 1.00 0.00 C ATOM 142 O VAL A 12 1.084 -0.697 7.653 1.00 0.00 O ATOM 143 CB VAL A 12 -0.756 0.348 5.640 1.00 0.00 C ATOM 144 CG1 VAL A 12 -1.708 -0.838 5.659 1.00 0.00 C ATOM 145 CG2 VAL A 12 -1.249 1.424 4.684 1.00 0.00 C ATOM 0 H VAL A 12 1.216 1.974 6.812 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.560 1.209 7.448 1.00 0.00 H new ATOM 0 HB VAL A 12 0.214 -0.002 5.287 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.818 -1.232 4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.308 -1.615 6.310 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.681 -0.518 6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.366 0.999 3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.209 1.806 5.030 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.526 2.239 4.649 1.00 0.00 H new ATOM 155 N TRP A 13 -0.643 -0.426 9.069 1.00 0.00 N ATOM 156 CA TRP A 13 -0.166 -1.429 10.014 1.00 0.00 C ATOM 157 C TRP A 13 -0.054 -2.796 9.349 1.00 0.00 C ATOM 158 O TRP A 13 -1.062 -3.450 9.079 1.00 0.00 O ATOM 159 CB TRP A 13 -1.104 -1.510 11.220 1.00 0.00 C ATOM 160 CG TRP A 13 -1.015 -0.318 12.124 1.00 0.00 C ATOM 161 CD1 TRP A 13 -1.858 0.756 12.150 1.00 0.00 C ATOM 162 CD2 TRP A 13 -0.025 -0.078 13.130 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.453 1.649 13.112 1.00 0.00 N ATOM 164 CE2 TRP A 13 -0.331 1.160 13.728 1.00 0.00 C ATOM 165 CE3 TRP A 13 1.088 -0.789 13.586 1.00 0.00 C ATOM 166 CZ2 TRP A 13 0.437 1.700 14.756 1.00 0.00 C ATOM 167 CZ3 TRP A 13 1.850 -0.251 14.606 1.00 0.00 C ATOM 168 CH2 TRP A 13 1.522 0.983 15.182 1.00 0.00 C ATOM 0 H TRP A 13 -1.518 0.024 9.337 1.00 0.00 H new ATOM 0 HA TRP A 13 0.826 -1.129 10.353 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.130 -1.613 10.867 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.872 -2.409 11.792 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.717 0.884 11.508 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.913 2.533 13.332 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.348 -1.742 13.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 0.185 2.651 15.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.713 -0.791 14.965 1.00 0.00 H new ATOM 0 HH2 TRP A 13 2.137 1.376 15.978 1.00 0.00 H new ATOM 179 N VAL A 14 1.177 -3.222 9.085 1.00 0.00 N ATOM 180 CA VAL A 14 1.420 -4.513 8.451 1.00 0.00 C ATOM 181 C VAL A 14 2.005 -5.511 9.444 1.00 0.00 C ATOM 182 O VAL A 14 3.194 -5.465 9.759 1.00 0.00 O ATOM 183 CB VAL A 14 2.376 -4.378 7.252 1.00 0.00 C ATOM 184 CG1 VAL A 14 2.700 -5.746 6.671 1.00 0.00 C ATOM 185 CG2 VAL A 14 1.774 -3.468 6.191 1.00 0.00 C ATOM 0 H VAL A 14 2.022 -2.692 9.300 1.00 0.00 H new ATOM 0 HA VAL A 14 0.456 -4.879 8.098 1.00 0.00 H new ATOM 0 HB VAL A 14 3.306 -3.928 7.599 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.377 -5.631 5.824 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.175 -6.362 7.434 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.780 -6.227 6.337 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.463 -3.384 5.351 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.829 -3.888 5.845 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.598 -2.480 6.616 1.00 0.00 H new ATOM 195 N ASP A 15 1.162 -6.413 9.934 1.00 0.00 N ATOM 196 CA ASP A 15 1.595 -7.425 10.890 1.00 0.00 C ATOM 197 C ASP A 15 1.931 -6.791 12.237 1.00 0.00 C ATOM 198 O ASP A 15 2.893 -7.183 12.896 1.00 0.00 O ATOM 199 CB ASP A 15 2.811 -8.180 10.351 1.00 0.00 C ATOM 200 CG ASP A 15 2.937 -9.571 10.940 1.00 0.00 C ATOM 201 OD1 ASP A 15 2.083 -10.427 10.628 1.00 0.00 O ATOM 202 OD2 ASP A 15 3.890 -9.804 11.714 1.00 0.00 O ATOM 0 H ASP A 15 0.174 -6.464 9.685 1.00 0.00 H new ATOM 0 HA ASP A 15 0.775 -8.128 11.033 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.738 -8.253 9.266 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.715 -7.612 10.572 1.00 0.00 H new ATOM 207 N GLY A 16 1.131 -5.809 12.639 1.00 0.00 N ATOM 208 CA GLY A 16 1.360 -5.135 13.904 1.00 0.00 C ATOM 209 C GLY A 16 2.568 -4.220 13.863 1.00 0.00 C ATOM 210 O GLY A 16 3.160 -3.915 14.898 1.00 0.00 O ATOM 0 H GLY A 16 0.328 -5.468 12.111 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.476 -4.554 14.168 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.498 -5.879 14.689 1.00 0.00 H new ATOM 214 N VAL A 17 2.936 -3.782 12.663 1.00 0.00 N ATOM 215 CA VAL A 17 4.082 -2.897 12.491 1.00 0.00 C ATOM 216 C VAL A 17 3.761 -1.765 11.522 1.00 0.00 C ATOM 217 O VAL A 17 3.169 -1.988 10.466 1.00 0.00 O ATOM 218 CB VAL A 17 5.313 -3.666 11.975 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.482 -2.718 11.759 1.00 0.00 C ATOM 220 CG2 VAL A 17 5.689 -4.778 12.942 1.00 0.00 C ATOM 0 H VAL A 17 2.457 -4.026 11.796 1.00 0.00 H new ATOM 0 HA VAL A 17 4.309 -2.479 13.472 1.00 0.00 H new ATOM 0 HB VAL A 17 5.062 -4.119 11.016 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.343 -3.279 11.394 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.205 -1.960 11.026 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.737 -2.234 12.702 1.00 0.00 H new ATOM 0 HG21 VAL A 17 6.561 -5.311 12.562 1.00 0.00 H new ATOM 0 HG22 VAL A 17 5.922 -4.349 13.917 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.854 -5.472 13.041 1.00 0.00 H new ATOM 230 N GLN A 18 4.156 -0.550 11.889 1.00 0.00 N ATOM 231 CA GLN A 18 3.909 0.618 11.051 1.00 0.00 C ATOM 232 C GLN A 18 4.818 0.611 9.827 1.00 0.00 C ATOM 233 O GLN A 18 6.033 0.450 9.944 1.00 0.00 O ATOM 234 CB GLN A 18 4.124 1.902 11.854 1.00 0.00 C ATOM 235 CG GLN A 18 3.490 3.130 11.220 1.00 0.00 C ATOM 236 CD GLN A 18 2.003 3.228 11.500 1.00 0.00 C ATOM 237 OE1 GLN A 18 1.269 2.248 11.373 1.00 0.00 O ATOM 238 NE2 GLN A 18 1.551 4.416 11.884 1.00 0.00 N ATOM 0 H GLN A 18 4.648 -0.349 12.760 1.00 0.00 H new ATOM 0 HA GLN A 18 2.874 0.579 10.712 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.714 1.768 12.855 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.194 2.074 11.968 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.986 4.025 11.595 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.652 3.103 10.142 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.195 5.201 11.976 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.559 4.543 12.087 1.00 0.00 H new ATOM 247 N ARG A 19 4.222 0.788 8.652 1.00 0.00 N ATOM 248 CA ARG A 19 4.979 0.800 7.406 1.00 0.00 C ATOM 249 C ARG A 19 4.543 1.962 6.517 1.00 0.00 C ATOM 250 O ARG A 19 3.418 1.986 6.018 1.00 0.00 O ATOM 251 CB ARG A 19 4.795 -0.523 6.660 1.00 0.00 C ATOM 252 CG ARG A 19 5.399 -1.717 7.381 1.00 0.00 C ATOM 253 CD ARG A 19 6.910 -1.765 7.212 1.00 0.00 C ATOM 254 NE ARG A 19 7.558 -2.504 8.291 1.00 0.00 N ATOM 255 CZ ARG A 19 7.483 -3.823 8.427 1.00 0.00 C ATOM 256 NH1 ARG A 19 6.791 -4.544 7.555 1.00 0.00 N ATOM 257 NH2 ARG A 19 8.100 -4.424 9.436 1.00 0.00 N ATOM 0 H ARG A 19 3.218 0.925 8.537 1.00 0.00 H new ATOM 0 HA ARG A 19 6.033 0.927 7.651 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.730 -0.701 6.509 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.247 -0.439 5.672 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.152 -1.666 8.441 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.959 -2.637 6.995 1.00 0.00 H new ATOM 0 HD2 ARG A 19 7.153 -2.230 6.257 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.304 -0.749 7.181 1.00 0.00 H new ATOM 0 HE ARG A 19 8.098 -1.979 8.978 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.315 -4.086 6.778 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.735 -5.557 7.661 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.633 -3.873 10.109 1.00 0.00 H new ATOM 0 HH22 ARG A 19 8.041 -5.437 9.539 1.00 0.00 H new ATOM 271 N ILE A 20 5.441 2.922 6.325 1.00 0.00 N ATOM 272 CA ILE A 20 5.150 4.085 5.497 1.00 0.00 C ATOM 273 C ILE A 20 5.601 3.862 4.057 1.00 0.00 C ATOM 274 O ILE A 20 6.790 3.695 3.787 1.00 0.00 O ATOM 275 CB ILE A 20 5.831 5.353 6.046 1.00 0.00 C ATOM 276 CG1 ILE A 20 5.312 5.670 7.450 1.00 0.00 C ATOM 277 CG2 ILE A 20 5.596 6.529 5.110 1.00 0.00 C ATOM 278 CD1 ILE A 20 6.109 6.741 8.161 1.00 0.00 C ATOM 0 H ILE A 20 6.376 2.917 6.732 1.00 0.00 H new ATOM 0 HA ILE A 20 4.069 4.225 5.519 1.00 0.00 H new ATOM 0 HB ILE A 20 6.904 5.173 6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.272 5.988 7.381 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.328 4.759 8.049 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.083 7.417 5.512 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.010 6.301 4.128 1.00 0.00 H new ATOM 0 HG23 ILE A 20 4.526 6.713 5.018 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.685 6.914 9.150 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.145 6.417 8.262 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.073 7.665 7.584 1.00 0.00 H new ATOM 290 N VAL A 21 4.643 3.864 3.136 1.00 0.00 N ATOM 291 CA VAL A 21 4.941 3.665 1.723 1.00 0.00 C ATOM 292 C VAL A 21 5.042 4.997 0.989 1.00 0.00 C ATOM 293 O VAL A 21 4.036 5.671 0.764 1.00 0.00 O ATOM 294 CB VAL A 21 3.868 2.795 1.040 1.00 0.00 C ATOM 295 CG1 VAL A 21 4.095 2.751 -0.464 1.00 0.00 C ATOM 296 CG2 VAL A 21 3.866 1.393 1.628 1.00 0.00 C ATOM 0 H VAL A 21 3.654 4.001 3.343 1.00 0.00 H new ATOM 0 HA VAL A 21 5.901 3.152 1.672 1.00 0.00 H new ATOM 0 HB VAL A 21 2.891 3.242 1.223 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.328 2.132 -0.930 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.042 3.761 -0.870 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.078 2.328 -0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.102 0.792 1.134 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.843 0.934 1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.651 1.446 2.695 1.00 0.00 H new ATOM 306 N CYS A 22 6.262 5.371 0.619 1.00 0.00 N ATOM 307 CA CYS A 22 6.495 6.625 -0.089 1.00 0.00 C ATOM 308 C CYS A 22 6.509 6.402 -1.598 1.00 0.00 C ATOM 309 O CYS A 22 7.117 5.453 -2.090 1.00 0.00 O ATOM 310 CB CYS A 22 7.817 7.249 0.359 1.00 0.00 C ATOM 311 SG CYS A 22 8.225 8.797 -0.483 1.00 0.00 S ATOM 0 H CYS A 22 7.104 4.824 0.797 1.00 0.00 H new ATOM 0 HA CYS A 22 5.680 7.307 0.152 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.775 7.432 1.433 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.621 6.533 0.189 1.00 0.00 H new ATOM 0 HG CYS A 22 9.359 9.249 -0.035 1.00 0.00 H new ATOM 317 N GLY A 23 5.832 7.284 -2.327 1.00 0.00 N ATOM 318 CA GLY A 23 5.777 7.165 -3.773 1.00 0.00 C ATOM 319 C GLY A 23 4.361 7.000 -4.288 1.00 0.00 C ATOM 320 O GLY A 23 4.036 7.449 -5.387 1.00 0.00 O ATOM 0 H GLY A 23 5.321 8.079 -1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.224 8.051 -4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.376 6.311 -4.087 1.00 0.00 H new ATOM 324 N VAL A 24 3.516 6.352 -3.493 1.00 0.00 N ATOM 325 CA VAL A 24 2.127 6.127 -3.875 1.00 0.00 C ATOM 326 C VAL A 24 1.409 7.447 -4.139 1.00 0.00 C ATOM 327 O VAL A 24 1.319 8.304 -3.261 1.00 0.00 O ATOM 328 CB VAL A 24 1.363 5.350 -2.786 1.00 0.00 C ATOM 329 CG1 VAL A 24 1.469 6.064 -1.447 1.00 0.00 C ATOM 330 CG2 VAL A 24 -0.092 5.164 -3.186 1.00 0.00 C ATOM 0 H VAL A 24 3.769 5.973 -2.580 1.00 0.00 H new ATOM 0 HA VAL A 24 2.143 5.535 -4.790 1.00 0.00 H new ATOM 0 HB VAL A 24 1.816 4.364 -2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 24 0.923 5.501 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.517 6.140 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.043 7.063 -1.533 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.616 4.613 -2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -0.560 6.139 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.144 4.606 -4.121 1.00 0.00 H new ATOM 340 N THR A 25 0.900 7.603 -5.357 1.00 0.00 N ATOM 341 CA THR A 25 0.191 8.818 -5.739 1.00 0.00 C ATOM 342 C THR A 25 -1.308 8.565 -5.860 1.00 0.00 C ATOM 343 O THR A 25 -1.765 7.428 -5.748 1.00 0.00 O ATOM 344 CB THR A 25 0.715 9.378 -7.074 1.00 0.00 C ATOM 345 OG1 THR A 25 0.626 8.377 -8.094 1.00 0.00 O ATOM 346 CG2 THR A 25 2.157 9.843 -6.938 1.00 0.00 C ATOM 0 H THR A 25 0.966 6.903 -6.096 1.00 0.00 H new ATOM 0 HA THR A 25 0.371 9.550 -4.951 1.00 0.00 H new ATOM 0 HB THR A 25 0.099 10.234 -7.350 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.960 8.742 -8.940 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.505 10.234 -7.894 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.217 10.626 -6.182 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.784 9.002 -6.640 1.00 0.00 H new ATOM 354 N GLU A 26 -2.067 9.632 -6.089 1.00 0.00 N ATOM 355 CA GLU A 26 -3.514 9.524 -6.226 1.00 0.00 C ATOM 356 C GLU A 26 -3.887 8.428 -7.220 1.00 0.00 C ATOM 357 O GLU A 26 -4.789 7.628 -6.970 1.00 0.00 O ATOM 358 CB GLU A 26 -4.108 10.860 -6.677 1.00 0.00 C ATOM 359 CG GLU A 26 -3.777 12.017 -5.749 1.00 0.00 C ATOM 360 CD GLU A 26 -3.730 13.349 -6.472 1.00 0.00 C ATOM 361 OE1 GLU A 26 -3.094 13.421 -7.544 1.00 0.00 O ATOM 362 OE2 GLU A 26 -4.329 14.321 -5.965 1.00 0.00 O ATOM 0 H GLU A 26 -1.704 10.580 -6.183 1.00 0.00 H new ATOM 0 HA GLU A 26 -3.926 9.262 -5.251 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.742 11.091 -7.677 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.191 10.761 -6.749 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.522 12.065 -4.954 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.814 11.832 -5.273 1.00 0.00 H new ATOM 369 N VAL A 27 -3.186 8.398 -8.349 1.00 0.00 N ATOM 370 CA VAL A 27 -3.442 7.400 -9.381 1.00 0.00 C ATOM 371 C VAL A 27 -3.411 5.990 -8.802 1.00 0.00 C ATOM 372 O VAL A 27 -4.217 5.136 -9.174 1.00 0.00 O ATOM 373 CB VAL A 27 -2.413 7.498 -10.523 1.00 0.00 C ATOM 374 CG1 VAL A 27 -2.658 6.410 -11.557 1.00 0.00 C ATOM 375 CG2 VAL A 27 -2.458 8.876 -11.165 1.00 0.00 C ATOM 0 H VAL A 27 -2.437 9.053 -8.572 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.436 7.603 -9.779 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.417 7.351 -10.105 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.922 6.495 -12.356 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.569 5.432 -11.084 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.659 6.522 -11.973 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.724 8.927 -11.970 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.454 9.056 -11.570 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.228 9.634 -10.416 1.00 0.00 H new ATOM 385 N THR A 28 -2.476 5.752 -7.889 1.00 0.00 N ATOM 386 CA THR A 28 -2.339 4.445 -7.258 1.00 0.00 C ATOM 387 C THR A 28 -3.634 4.027 -6.572 1.00 0.00 C ATOM 388 O THR A 28 -4.304 4.843 -5.937 1.00 0.00 O ATOM 389 CB THR A 28 -1.197 4.437 -6.224 1.00 0.00 C ATOM 390 OG1 THR A 28 0.028 4.842 -6.844 1.00 0.00 O ATOM 391 CG2 THR A 28 -1.030 3.053 -5.614 1.00 0.00 C ATOM 0 H THR A 28 -1.802 6.447 -7.569 1.00 0.00 H new ATOM 0 HA THR A 28 -2.106 3.734 -8.051 1.00 0.00 H new ATOM 0 HB THR A 28 -1.450 5.139 -5.429 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.774 4.685 -6.228 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.218 3.071 -4.887 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.955 2.760 -5.118 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.797 2.335 -6.400 1.00 0.00 H new ATOM 399 N THR A 29 -3.983 2.751 -6.702 1.00 0.00 N ATOM 400 CA THR A 29 -5.199 2.225 -6.094 1.00 0.00 C ATOM 401 C THR A 29 -4.888 1.471 -4.807 1.00 0.00 C ATOM 402 O THR A 29 -3.733 1.388 -4.388 1.00 0.00 O ATOM 403 CB THR A 29 -5.948 1.285 -7.058 1.00 0.00 C ATOM 404 OG1 THR A 29 -5.076 0.238 -7.497 1.00 0.00 O ATOM 405 CG2 THR A 29 -6.473 2.052 -8.262 1.00 0.00 C ATOM 0 H THR A 29 -3.440 2.062 -7.223 1.00 0.00 H new ATOM 0 HA THR A 29 -5.834 3.081 -5.866 1.00 0.00 H new ATOM 0 HB THR A 29 -6.795 0.853 -6.525 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.560 -0.356 -8.108 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.998 1.368 -8.929 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.159 2.830 -7.927 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.639 2.509 -8.795 1.00 0.00 H new ATOM 413 N CYS A 30 -5.925 0.921 -4.184 1.00 0.00 N ATOM 414 CA CYS A 30 -5.762 0.173 -2.942 1.00 0.00 C ATOM 415 C CYS A 30 -5.101 -1.177 -3.204 1.00 0.00 C ATOM 416 O CYS A 30 -4.434 -1.731 -2.331 1.00 0.00 O ATOM 417 CB CYS A 30 -7.117 -0.032 -2.264 1.00 0.00 C ATOM 418 SG CYS A 30 -7.701 1.404 -1.333 1.00 0.00 S ATOM 0 H CYS A 30 -6.887 0.979 -4.518 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.117 0.751 -2.280 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.857 -0.285 -3.024 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.048 -0.886 -1.590 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.937 1.217 -0.977 1.00 0.00 H new ATOM 424 N GLN A 31 -5.294 -1.700 -4.410 1.00 0.00 N ATOM 425 CA GLN A 31 -4.719 -2.987 -4.785 1.00 0.00 C ATOM 426 C GLN A 31 -3.248 -2.837 -5.160 1.00 0.00 C ATOM 427 O GLN A 31 -2.457 -3.763 -4.986 1.00 0.00 O ATOM 428 CB GLN A 31 -5.496 -3.596 -5.953 1.00 0.00 C ATOM 429 CG GLN A 31 -5.432 -5.114 -6.001 1.00 0.00 C ATOM 430 CD GLN A 31 -6.673 -5.731 -6.613 1.00 0.00 C ATOM 431 OE1 GLN A 31 -7.088 -5.361 -7.712 1.00 0.00 O ATOM 432 NE2 GLN A 31 -7.275 -6.679 -5.904 1.00 0.00 N ATOM 0 H GLN A 31 -5.844 -1.253 -5.144 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.790 -3.653 -3.925 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.539 -3.287 -5.885 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.104 -3.194 -6.888 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.558 -5.419 -6.576 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.299 -5.500 -4.990 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.897 -6.955 -4.998 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.115 -7.131 -6.266 1.00 0.00 H new ATOM 441 N GLU A 32 -2.891 -1.665 -5.675 1.00 0.00 N ATOM 442 CA GLU A 32 -1.515 -1.395 -6.076 1.00 0.00 C ATOM 443 C GLU A 32 -0.621 -1.199 -4.855 1.00 0.00 C ATOM 444 O GLU A 32 0.592 -1.401 -4.920 1.00 0.00 O ATOM 445 CB GLU A 32 -1.454 -0.155 -6.970 1.00 0.00 C ATOM 446 CG GLU A 32 -1.685 -0.454 -8.442 1.00 0.00 C ATOM 447 CD GLU A 32 -1.440 0.752 -9.328 1.00 0.00 C ATOM 448 OE1 GLU A 32 -2.267 1.686 -9.302 1.00 0.00 O ATOM 449 OE2 GLU A 32 -0.419 0.760 -10.047 1.00 0.00 O ATOM 0 H GLU A 32 -3.535 -0.888 -5.824 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.152 -2.256 -6.637 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.201 0.563 -6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.480 0.320 -6.853 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.028 -1.267 -8.751 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.709 -0.801 -8.582 1.00 0.00 H new ATOM 456 N VAL A 33 -1.229 -0.803 -3.741 1.00 0.00 N ATOM 457 CA VAL A 33 -0.490 -0.580 -2.504 1.00 0.00 C ATOM 458 C VAL A 33 -0.199 -1.896 -1.793 1.00 0.00 C ATOM 459 O VAL A 33 0.959 -2.265 -1.597 1.00 0.00 O ATOM 460 CB VAL A 33 -1.263 0.348 -1.548 1.00 0.00 C ATOM 461 CG1 VAL A 33 -0.446 0.625 -0.296 1.00 0.00 C ATOM 462 CG2 VAL A 33 -1.636 1.645 -2.250 1.00 0.00 C ATOM 0 H VAL A 33 -2.232 -0.630 -3.670 1.00 0.00 H new ATOM 0 HA VAL A 33 0.451 -0.103 -2.779 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.183 -0.153 -1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.008 1.282 0.367 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.236 -0.314 0.216 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.492 1.105 -0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.182 2.288 -1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.730 2.153 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.264 1.424 -3.113 1.00 0.00 H new ATOM 472 N VAL A 34 -1.258 -2.602 -1.408 1.00 0.00 N ATOM 473 CA VAL A 34 -1.116 -3.879 -0.719 1.00 0.00 C ATOM 474 C VAL A 34 -0.002 -4.717 -1.338 1.00 0.00 C ATOM 475 O VAL A 34 0.825 -5.289 -0.628 1.00 0.00 O ATOM 476 CB VAL A 34 -2.429 -4.684 -0.754 1.00 0.00 C ATOM 477 CG1 VAL A 34 -3.570 -3.871 -0.164 1.00 0.00 C ATOM 478 CG2 VAL A 34 -2.750 -5.116 -2.177 1.00 0.00 C ATOM 0 H VAL A 34 -2.223 -2.311 -1.562 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.864 -3.654 0.317 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.302 -5.580 -0.146 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.489 -4.456 -0.197 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.339 -3.617 0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.701 -2.956 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.681 -5.684 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.858 -4.235 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.942 -5.740 -2.559 1.00 0.00 H new ATOM 488 N ILE A 35 0.013 -4.783 -2.665 1.00 0.00 N ATOM 489 CA ILE A 35 1.026 -5.550 -3.379 1.00 0.00 C ATOM 490 C ILE A 35 2.431 -5.114 -2.976 1.00 0.00 C ATOM 491 O ILE A 35 3.224 -5.916 -2.484 1.00 0.00 O ATOM 492 CB ILE A 35 0.873 -5.401 -4.904 1.00 0.00 C ATOM 493 CG1 ILE A 35 -0.360 -6.165 -5.392 1.00 0.00 C ATOM 494 CG2 ILE A 35 2.124 -5.898 -5.613 1.00 0.00 C ATOM 495 CD1 ILE A 35 -0.596 -6.045 -6.881 1.00 0.00 C ATOM 0 H ILE A 35 -0.664 -4.315 -3.267 1.00 0.00 H new ATOM 0 HA ILE A 35 0.880 -6.595 -3.107 1.00 0.00 H new ATOM 0 HB ILE A 35 0.740 -4.345 -5.139 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.250 -7.218 -5.134 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.239 -5.797 -4.862 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.000 -5.786 -6.690 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.984 -5.315 -5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.285 -6.949 -5.373 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.486 -6.611 -7.155 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.738 -4.997 -7.144 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.266 -6.440 -7.419 1.00 0.00 H new ATOM 507 N ALA A 36 2.731 -3.836 -3.186 1.00 0.00 N ATOM 508 CA ALA A 36 4.039 -3.292 -2.841 1.00 0.00 C ATOM 509 C ALA A 36 4.466 -3.734 -1.446 1.00 0.00 C ATOM 510 O ALA A 36 5.651 -3.956 -1.189 1.00 0.00 O ATOM 511 CB ALA A 36 4.019 -1.773 -2.932 1.00 0.00 C ATOM 0 H ALA A 36 2.086 -3.159 -3.593 1.00 0.00 H new ATOM 0 HA ALA A 36 4.766 -3.679 -3.555 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.002 -1.380 -2.672 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.766 -1.473 -3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.275 -1.377 -2.241 1.00 0.00 H new ATOM 517 N LEU A 37 3.496 -3.861 -0.547 1.00 0.00 N ATOM 518 CA LEU A 37 3.773 -4.276 0.824 1.00 0.00 C ATOM 519 C LEU A 37 4.086 -5.768 0.888 1.00 0.00 C ATOM 520 O LEU A 37 5.067 -6.180 1.505 1.00 0.00 O ATOM 521 CB LEU A 37 2.580 -3.955 1.726 1.00 0.00 C ATOM 522 CG LEU A 37 2.524 -2.532 2.283 1.00 0.00 C ATOM 523 CD1 LEU A 37 3.805 -2.202 3.034 1.00 0.00 C ATOM 524 CD2 LEU A 37 2.287 -1.529 1.164 1.00 0.00 C ATOM 0 H LEU A 37 2.511 -3.683 -0.743 1.00 0.00 H new ATOM 0 HA LEU A 37 4.645 -3.725 1.175 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.665 -4.140 1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.586 -4.652 2.564 1.00 0.00 H new ATOM 0 HG LEU A 37 1.690 -2.469 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.747 -1.186 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.932 -2.901 3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.655 -2.283 2.357 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.250 -0.522 1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.099 -1.593 0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.342 -1.752 0.670 1.00 0.00 H new ATOM 536 N ALA A 38 3.245 -6.572 0.245 1.00 0.00 N ATOM 537 CA ALA A 38 3.434 -8.017 0.226 1.00 0.00 C ATOM 538 C ALA A 38 4.770 -8.387 -0.409 1.00 0.00 C ATOM 539 O ALA A 38 5.500 -9.232 0.108 1.00 0.00 O ATOM 540 CB ALA A 38 2.290 -8.689 -0.518 1.00 0.00 C ATOM 0 H ALA A 38 2.426 -6.247 -0.269 1.00 0.00 H new ATOM 0 HA ALA A 38 3.440 -8.372 1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.444 -9.768 -0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.348 -8.460 -0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.257 -8.321 -1.544 1.00 0.00 H new ATOM 546 N GLN A 39 5.083 -7.750 -1.533 1.00 0.00 N ATOM 547 CA GLN A 39 6.331 -8.014 -2.239 1.00 0.00 C ATOM 548 C GLN A 39 7.532 -7.783 -1.327 1.00 0.00 C ATOM 549 O GLN A 39 8.532 -8.495 -1.409 1.00 0.00 O ATOM 550 CB GLN A 39 6.439 -7.125 -3.478 1.00 0.00 C ATOM 551 CG GLN A 39 6.354 -5.638 -3.170 1.00 0.00 C ATOM 552 CD GLN A 39 6.651 -4.774 -4.379 1.00 0.00 C ATOM 553 OE1 GLN A 39 6.552 -5.227 -5.520 1.00 0.00 O ATOM 554 NE2 GLN A 39 7.017 -3.521 -4.136 1.00 0.00 N ATOM 0 H GLN A 39 4.489 -7.048 -1.974 1.00 0.00 H new ATOM 0 HA GLN A 39 6.329 -9.059 -2.549 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.384 -7.330 -3.981 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.644 -7.389 -4.175 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.357 -5.404 -2.797 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.057 -5.395 -2.373 1.00 0.00 H new ATOM 0 HE21 GLN A 39 7.086 -3.187 -3.175 1.00 0.00 H new ATOM 0 HE22 GLN A 39 7.229 -2.892 -4.911 1.00 0.00 H new ATOM 563 N ALA A 40 7.425 -6.783 -0.457 1.00 0.00 N ATOM 564 CA ALA A 40 8.501 -6.460 0.471 1.00 0.00 C ATOM 565 C ALA A 40 8.641 -7.534 1.544 1.00 0.00 C ATOM 566 O ALA A 40 9.702 -8.141 1.692 1.00 0.00 O ATOM 567 CB ALA A 40 8.255 -5.101 1.111 1.00 0.00 C ATOM 0 H ALA A 40 6.604 -6.183 -0.376 1.00 0.00 H new ATOM 0 HA ALA A 40 9.434 -6.422 -0.092 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.066 -4.872 1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.212 -4.336 0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.310 -5.120 1.654 1.00 0.00 H new ATOM 573 N ILE A 41 7.566 -7.763 2.290 1.00 0.00 N ATOM 574 CA ILE A 41 7.571 -8.765 3.349 1.00 0.00 C ATOM 575 C ILE A 41 7.807 -10.161 2.784 1.00 0.00 C ATOM 576 O ILE A 41 8.254 -11.062 3.493 1.00 0.00 O ATOM 577 CB ILE A 41 6.246 -8.759 4.136 1.00 0.00 C ATOM 578 CG1 ILE A 41 5.069 -9.032 3.197 1.00 0.00 C ATOM 579 CG2 ILE A 41 6.062 -7.430 4.852 1.00 0.00 C ATOM 580 CD1 ILE A 41 3.758 -9.250 3.919 1.00 0.00 C ATOM 0 H ILE A 41 6.681 -7.269 2.181 1.00 0.00 H new ATOM 0 HA ILE A 41 8.387 -8.506 4.024 1.00 0.00 H new ATOM 0 HB ILE A 41 6.281 -9.551 4.884 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.961 -8.193 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.293 -9.912 2.593 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.122 -7.441 5.403 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.888 -7.273 5.546 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.044 -6.622 4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.969 -9.438 3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.848 -10.107 4.586 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.511 -8.362 4.501 1.00 0.00 H new ATOM 592 N GLY A 42 7.505 -10.333 1.500 1.00 0.00 N ATOM 593 CA GLY A 42 7.693 -11.622 0.861 1.00 0.00 C ATOM 594 C GLY A 42 6.526 -12.561 1.094 1.00 0.00 C ATOM 595 O GLY A 42 6.703 -13.666 1.608 1.00 0.00 O ATOM 0 H GLY A 42 7.134 -9.603 0.892 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.830 -11.476 -0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.606 -12.082 1.239 1.00 0.00 H new ATOM 599 N ARG A 43 5.330 -12.121 0.719 1.00 0.00 N ATOM 600 CA ARG A 43 4.129 -12.929 0.893 1.00 0.00 C ATOM 601 C ARG A 43 3.182 -12.758 -0.291 1.00 0.00 C ATOM 602 O ARG A 43 3.438 -11.962 -1.196 1.00 0.00 O ATOM 603 CB ARG A 43 3.415 -12.546 2.191 1.00 0.00 C ATOM 604 CG ARG A 43 3.933 -13.286 3.413 1.00 0.00 C ATOM 605 CD ARG A 43 2.959 -13.192 4.576 1.00 0.00 C ATOM 606 NE ARG A 43 3.239 -14.188 5.607 1.00 0.00 N ATOM 607 CZ ARG A 43 2.922 -15.473 5.493 1.00 0.00 C ATOM 608 NH1 ARG A 43 2.318 -15.916 4.399 1.00 0.00 N ATOM 609 NH2 ARG A 43 3.211 -16.318 6.475 1.00 0.00 N ATOM 0 H ARG A 43 5.166 -11.209 0.292 1.00 0.00 H new ATOM 0 HA ARG A 43 4.430 -13.975 0.947 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.524 -11.474 2.353 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.349 -12.745 2.081 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.101 -14.333 3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.896 -12.871 3.710 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.011 -12.194 5.012 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.942 -13.327 4.209 1.00 0.00 H new ATOM 0 HE ARG A 43 3.703 -13.880 6.461 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.096 -15.270 3.642 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.076 -16.903 4.314 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.677 -15.981 7.318 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.967 -17.305 6.387 1.00 0.00 H new ATOM 623 N THR A 44 2.086 -13.510 -0.279 1.00 0.00 N ATOM 624 CA THR A 44 1.101 -13.443 -1.352 1.00 0.00 C ATOM 625 C THR A 44 0.684 -12.003 -1.626 1.00 0.00 C ATOM 626 O THR A 44 0.758 -11.147 -0.746 1.00 0.00 O ATOM 627 CB THR A 44 -0.152 -14.274 -1.017 1.00 0.00 C ATOM 628 OG1 THR A 44 -0.970 -14.419 -2.183 1.00 0.00 O ATOM 629 CG2 THR A 44 -0.956 -13.617 0.095 1.00 0.00 C ATOM 0 H THR A 44 1.858 -14.173 0.462 1.00 0.00 H new ATOM 0 HA THR A 44 1.575 -13.857 -2.242 1.00 0.00 H new ATOM 0 HB THR A 44 0.172 -15.258 -0.677 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.402 -14.603 -2.960 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.836 -14.222 0.314 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.340 -13.535 0.990 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.269 -12.622 -0.222 1.00 0.00 H new ATOM 637 N GLY A 45 0.243 -11.743 -2.853 1.00 0.00 N ATOM 638 CA GLY A 45 -0.181 -10.405 -3.221 1.00 0.00 C ATOM 639 C GLY A 45 -1.615 -10.120 -2.820 1.00 0.00 C ATOM 640 O GLY A 45 -1.955 -8.991 -2.466 1.00 0.00 O ATOM 0 H GLY A 45 0.172 -12.435 -3.599 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.477 -9.676 -2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.076 -10.277 -4.298 1.00 0.00 H new ATOM 644 N ARG A 46 -2.458 -11.145 -2.877 1.00 0.00 N ATOM 645 CA ARG A 46 -3.864 -10.999 -2.520 1.00 0.00 C ATOM 646 C ARG A 46 -4.011 -10.499 -1.085 1.00 0.00 C ATOM 647 O ARG A 46 -3.740 -11.230 -0.132 1.00 0.00 O ATOM 648 CB ARG A 46 -4.596 -12.332 -2.684 1.00 0.00 C ATOM 649 CG ARG A 46 -5.097 -12.581 -4.097 1.00 0.00 C ATOM 650 CD ARG A 46 -3.957 -12.935 -5.039 1.00 0.00 C ATOM 651 NE ARG A 46 -3.504 -14.312 -4.858 1.00 0.00 N ATOM 652 CZ ARG A 46 -2.635 -14.912 -5.663 1.00 0.00 C ATOM 653 NH1 ARG A 46 -2.127 -14.260 -6.700 1.00 0.00 N ATOM 654 NH2 ARG A 46 -2.273 -16.167 -5.433 1.00 0.00 N ATOM 0 H ARG A 46 -2.192 -12.086 -3.167 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.309 -10.264 -3.191 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.926 -13.143 -2.397 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.442 -12.359 -1.997 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.827 -13.390 -4.088 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.611 -11.692 -4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -4.281 -12.793 -6.070 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.123 -12.254 -4.870 1.00 0.00 H new ATOM 0 HE ARG A 46 -3.876 -14.842 -4.070 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.404 -13.295 -6.881 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -1.460 -14.723 -7.317 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.662 -16.672 -4.637 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.605 -16.627 -6.052 1.00 0.00 H new ATOM 668 N TYR A 47 -4.442 -9.251 -0.941 1.00 0.00 N ATOM 669 CA TYR A 47 -4.622 -8.653 0.377 1.00 0.00 C ATOM 670 C TYR A 47 -5.635 -7.513 0.324 1.00 0.00 C ATOM 671 O TYR A 47 -5.915 -6.963 -0.742 1.00 0.00 O ATOM 672 CB TYR A 47 -3.286 -8.138 0.914 1.00 0.00 C ATOM 673 CG TYR A 47 -2.508 -9.172 1.696 1.00 0.00 C ATOM 674 CD1 TYR A 47 -2.866 -9.499 2.998 1.00 0.00 C ATOM 675 CD2 TYR A 47 -1.416 -9.820 1.134 1.00 0.00 C ATOM 676 CE1 TYR A 47 -2.158 -10.443 3.717 1.00 0.00 C ATOM 677 CE2 TYR A 47 -0.703 -10.766 1.845 1.00 0.00 C ATOM 678 CZ TYR A 47 -1.078 -11.074 3.136 1.00 0.00 C ATOM 679 OH TYR A 47 -0.370 -12.015 3.848 1.00 0.00 O ATOM 0 H TYR A 47 -4.673 -8.634 -1.720 1.00 0.00 H new ATOM 0 HA TYR A 47 -5.003 -9.423 1.048 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.677 -7.793 0.078 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.470 -7.274 1.553 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.712 -9.007 3.456 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.119 -9.580 0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.449 -10.685 4.728 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.143 -11.261 1.392 1.00 0.00 H new ATOM 0 HH TYR A 47 0.005 -12.678 3.231 1.00 0.00 H new ATOM 689 N THR A 48 -6.183 -7.162 1.483 1.00 0.00 N ATOM 690 CA THR A 48 -7.165 -6.089 1.571 1.00 0.00 C ATOM 691 C THR A 48 -6.759 -5.056 2.615 1.00 0.00 C ATOM 692 O THR A 48 -6.113 -5.386 3.611 1.00 0.00 O ATOM 693 CB THR A 48 -8.563 -6.634 1.920 1.00 0.00 C ATOM 694 OG1 THR A 48 -9.568 -5.693 1.525 1.00 0.00 O ATOM 695 CG2 THR A 48 -8.678 -6.911 3.411 1.00 0.00 C ATOM 0 H THR A 48 -5.963 -7.606 2.375 1.00 0.00 H new ATOM 0 HA THR A 48 -7.203 -5.614 0.591 1.00 0.00 H new ATOM 0 HB THR A 48 -8.710 -7.570 1.380 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.454 -6.047 1.749 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.673 -7.295 3.634 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.931 -7.649 3.703 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.512 -5.988 3.966 1.00 0.00 H new ATOM 703 N LEU A 49 -7.141 -3.805 2.384 1.00 0.00 N ATOM 704 CA LEU A 49 -6.818 -2.722 3.306 1.00 0.00 C ATOM 705 C LEU A 49 -8.009 -2.393 4.200 1.00 0.00 C ATOM 706 O LEU A 49 -9.008 -1.839 3.740 1.00 0.00 O ATOM 707 CB LEU A 49 -6.388 -1.476 2.530 1.00 0.00 C ATOM 708 CG LEU A 49 -5.000 -1.529 1.890 1.00 0.00 C ATOM 709 CD1 LEU A 49 -4.862 -0.453 0.824 1.00 0.00 C ATOM 710 CD2 LEU A 49 -3.918 -1.376 2.949 1.00 0.00 C ATOM 0 H LEU A 49 -7.675 -3.515 1.565 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.993 -3.051 3.938 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.121 -1.290 1.745 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.422 -0.622 3.206 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.878 -2.501 1.413 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.868 -0.506 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.614 -0.609 0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.005 0.528 1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.937 -1.416 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.037 -0.418 3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.003 -2.184 3.676 1.00 0.00 H new ATOM 722 N ILE A 50 -7.896 -2.737 5.478 1.00 0.00 N ATOM 723 CA ILE A 50 -8.963 -2.475 6.436 1.00 0.00 C ATOM 724 C ILE A 50 -8.685 -1.207 7.235 1.00 0.00 C ATOM 725 O ILE A 50 -7.666 -1.103 7.918 1.00 0.00 O ATOM 726 CB ILE A 50 -9.146 -3.653 7.411 1.00 0.00 C ATOM 727 CG1 ILE A 50 -9.440 -4.941 6.640 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.264 -3.354 8.399 1.00 0.00 C ATOM 729 CD1 ILE A 50 -9.472 -6.175 7.514 1.00 0.00 C ATOM 0 H ILE A 50 -7.077 -3.198 5.874 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.879 -2.345 5.860 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.220 -3.790 7.970 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.399 -4.840 6.133 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.683 -5.073 5.867 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.381 -4.196 9.081 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.017 -2.458 8.968 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.196 -3.194 7.857 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.686 -7.050 6.900 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.505 -6.301 8.001 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.248 -6.065 8.271 1.00 0.00 H new ATOM 741 N GLU A 51 -9.599 -0.245 7.147 1.00 0.00 N ATOM 742 CA GLU A 51 -9.452 1.016 7.863 1.00 0.00 C ATOM 743 C GLU A 51 -10.151 0.958 9.218 1.00 0.00 C ATOM 744 O GLU A 51 -11.376 1.054 9.302 1.00 0.00 O ATOM 745 CB GLU A 51 -10.020 2.169 7.033 1.00 0.00 C ATOM 746 CG GLU A 51 -9.003 2.808 6.102 1.00 0.00 C ATOM 747 CD GLU A 51 -9.363 4.235 5.736 1.00 0.00 C ATOM 748 OE1 GLU A 51 -10.570 4.553 5.707 1.00 0.00 O ATOM 749 OE2 GLU A 51 -8.437 5.033 5.478 1.00 0.00 O ATOM 0 H GLU A 51 -10.449 -0.316 6.587 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.388 1.187 8.030 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.860 1.802 6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.413 2.931 7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.022 2.795 6.578 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.924 2.212 5.192 1.00 0.00 H new ATOM 756 N LYS A 52 -9.365 0.798 10.277 1.00 0.00 N ATOM 757 CA LYS A 52 -9.906 0.726 11.629 1.00 0.00 C ATOM 758 C LYS A 52 -9.910 2.103 12.287 1.00 0.00 C ATOM 759 O LYS A 52 -8.859 2.718 12.465 1.00 0.00 O ATOM 760 CB LYS A 52 -9.090 -0.253 12.476 1.00 0.00 C ATOM 761 CG LYS A 52 -9.900 -0.936 13.565 1.00 0.00 C ATOM 762 CD LYS A 52 -9.022 -1.360 14.730 1.00 0.00 C ATOM 763 CE LYS A 52 -8.862 -0.239 15.745 1.00 0.00 C ATOM 764 NZ LYS A 52 -7.602 -0.373 16.526 1.00 0.00 N ATOM 0 H LYS A 52 -8.350 0.716 10.225 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.934 0.370 11.564 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.659 -1.013 11.824 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.258 0.282 12.935 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.676 -0.259 13.921 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.404 -1.809 13.151 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.458 -2.233 15.216 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.042 -1.658 14.358 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.869 0.721 15.229 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.713 -0.242 16.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.531 0.410 17.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.606 -1.278 17.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.788 -0.345 15.879 1.00 0.00 H new ATOM 778 N TRP A 53 -11.097 2.578 12.646 1.00 0.00 N ATOM 779 CA TRP A 53 -11.236 3.881 13.286 1.00 0.00 C ATOM 780 C TRP A 53 -12.337 3.854 14.341 1.00 0.00 C ATOM 781 O TRP A 53 -13.398 3.268 14.129 1.00 0.00 O ATOM 782 CB TRP A 53 -11.541 4.955 12.240 1.00 0.00 C ATOM 783 CG TRP A 53 -11.944 6.269 12.839 1.00 0.00 C ATOM 784 CD1 TRP A 53 -11.126 7.325 13.123 1.00 0.00 C ATOM 785 CD2 TRP A 53 -13.263 6.665 13.228 1.00 0.00 C ATOM 786 NE1 TRP A 53 -11.858 8.354 13.665 1.00 0.00 N ATOM 787 CE2 TRP A 53 -13.172 7.974 13.739 1.00 0.00 C ATOM 788 CE3 TRP A 53 -14.514 6.042 13.192 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -14.283 8.668 14.211 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -15.615 6.732 13.661 1.00 0.00 C ATOM 791 CH2 TRP A 53 -15.494 8.034 14.164 1.00 0.00 C ATOM 0 H TRP A 53 -11.976 2.081 12.505 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.293 4.120 13.778 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -10.661 5.103 11.615 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.339 4.601 11.588 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -10.061 7.348 12.947 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -11.484 9.255 13.964 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -14.618 5.039 12.804 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -14.192 9.671 14.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -16.586 6.260 13.640 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -16.374 8.547 14.522 1.00 0.00 H new ATOM 802 N ARG A 54 -12.077 4.493 15.477 1.00 0.00 N ATOM 803 CA ARG A 54 -13.045 4.541 16.566 1.00 0.00 C ATOM 804 C ARG A 54 -13.845 3.244 16.640 1.00 0.00 C ATOM 805 O ARG A 54 -15.059 3.262 16.843 1.00 0.00 O ATOM 806 CB ARG A 54 -13.994 5.727 16.380 1.00 0.00 C ATOM 807 CG ARG A 54 -14.513 6.302 17.688 1.00 0.00 C ATOM 808 CD ARG A 54 -15.873 6.958 17.507 1.00 0.00 C ATOM 809 NE ARG A 54 -16.593 7.081 18.772 1.00 0.00 N ATOM 810 CZ ARG A 54 -17.765 7.695 18.893 1.00 0.00 C ATOM 811 NH1 ARG A 54 -18.346 8.238 17.832 1.00 0.00 N ATOM 812 NH2 ARG A 54 -18.359 7.766 20.078 1.00 0.00 N ATOM 0 H ARG A 54 -11.204 4.985 15.667 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.497 4.664 17.500 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.477 6.512 15.827 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -14.841 5.412 15.770 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.587 5.509 18.432 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.803 7.034 18.072 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.743 7.946 17.066 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.468 6.372 16.806 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.173 6.673 19.608 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.893 8.185 16.920 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -19.246 8.709 17.928 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.916 7.349 20.897 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -19.259 8.238 20.170 1.00 0.00 H new ATOM 826 N ASP A 55 -13.156 2.120 16.473 1.00 0.00 N ATOM 827 CA ASP A 55 -13.801 0.813 16.521 1.00 0.00 C ATOM 828 C ASP A 55 -14.724 0.618 15.322 1.00 0.00 C ATOM 829 O ASP A 55 -15.860 0.166 15.466 1.00 0.00 O ATOM 830 CB ASP A 55 -14.593 0.660 17.821 1.00 0.00 C ATOM 831 CG ASP A 55 -13.886 1.285 19.007 1.00 0.00 C ATOM 832 OD1 ASP A 55 -13.001 0.621 19.587 1.00 0.00 O ATOM 833 OD2 ASP A 55 -14.217 2.438 19.356 1.00 0.00 O ATOM 0 H ASP A 55 -12.151 2.088 16.303 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.024 0.049 16.486 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -15.573 1.121 17.702 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -14.761 -0.399 18.018 1.00 0.00 H new ATOM 838 N THR A 56 -14.228 0.963 14.138 1.00 0.00 N ATOM 839 CA THR A 56 -15.009 0.829 12.914 1.00 0.00 C ATOM 840 C THR A 56 -14.199 0.144 11.819 1.00 0.00 C ATOM 841 O THR A 56 -13.325 0.757 11.207 1.00 0.00 O ATOM 842 CB THR A 56 -15.490 2.199 12.401 1.00 0.00 C ATOM 843 OG1 THR A 56 -16.275 2.850 13.407 1.00 0.00 O ATOM 844 CG2 THR A 56 -16.313 2.042 11.131 1.00 0.00 C ATOM 0 H THR A 56 -13.289 1.337 14.001 1.00 0.00 H new ATOM 0 HA THR A 56 -15.877 0.217 13.158 1.00 0.00 H new ATOM 0 HB THR A 56 -14.614 2.806 12.175 1.00 0.00 H new ATOM 0 HG1 THR A 56 -15.682 3.275 14.061 1.00 0.00 H new ATOM 0 HG21 THR A 56 -16.642 3.023 10.787 1.00 0.00 H new ATOM 0 HG22 THR A 56 -15.704 1.572 10.359 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.183 1.419 11.336 1.00 0.00 H new ATOM 852 N GLU A 57 -14.497 -1.128 11.576 1.00 0.00 N ATOM 853 CA GLU A 57 -13.795 -1.895 10.553 1.00 0.00 C ATOM 854 C GLU A 57 -14.588 -1.916 9.249 1.00 0.00 C ATOM 855 O GLU A 57 -15.808 -2.081 9.255 1.00 0.00 O ATOM 856 CB GLU A 57 -13.549 -3.326 11.036 1.00 0.00 C ATOM 857 CG GLU A 57 -12.552 -3.419 12.179 1.00 0.00 C ATOM 858 CD GLU A 57 -12.753 -4.660 13.028 1.00 0.00 C ATOM 859 OE1 GLU A 57 -12.346 -5.754 12.583 1.00 0.00 O ATOM 860 OE2 GLU A 57 -13.315 -4.537 14.135 1.00 0.00 O ATOM 0 H GLU A 57 -15.219 -1.649 12.073 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.836 -1.412 10.367 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.496 -3.761 11.355 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.188 -3.926 10.200 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.540 -3.420 11.774 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.643 -2.534 12.809 1.00 0.00 H new ATOM 867 N ARG A 58 -13.886 -1.746 8.134 1.00 0.00 N ATOM 868 CA ARG A 58 -14.523 -1.744 6.823 1.00 0.00 C ATOM 869 C ARG A 58 -13.533 -2.153 5.736 1.00 0.00 C ATOM 870 O ARG A 58 -12.391 -1.692 5.717 1.00 0.00 O ATOM 871 CB ARG A 58 -15.094 -0.359 6.512 1.00 0.00 C ATOM 872 CG ARG A 58 -16.312 -0.392 5.603 1.00 0.00 C ATOM 873 CD ARG A 58 -15.911 -0.442 4.137 1.00 0.00 C ATOM 874 NE ARG A 58 -15.252 0.788 3.707 1.00 0.00 N ATOM 875 CZ ARG A 58 -15.212 1.197 2.444 1.00 0.00 C ATOM 876 NH1 ARG A 58 -15.790 0.478 1.492 1.00 0.00 N ATOM 877 NH2 ARG A 58 -14.593 2.329 2.131 1.00 0.00 N ATOM 0 H ARG A 58 -12.876 -1.608 8.112 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.336 -2.470 6.841 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.362 0.132 7.447 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.319 0.248 6.044 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.924 -1.261 5.844 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.926 0.490 5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -15.243 -1.287 3.973 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.797 -0.612 3.525 1.00 0.00 H new ATOM 0 HE ARG A 58 -14.798 1.365 4.415 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -16.267 -0.392 1.729 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -15.758 0.795 0.523 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.148 2.885 2.861 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.563 2.642 1.161 1.00 0.00 H new ATOM 891 N HIS A 59 -13.979 -3.021 4.833 1.00 0.00 N ATOM 892 CA HIS A 59 -13.132 -3.492 3.743 1.00 0.00 C ATOM 893 C HIS A 59 -13.219 -2.554 2.543 1.00 0.00 C ATOM 894 O HIS A 59 -14.301 -2.317 2.003 1.00 0.00 O ATOM 895 CB HIS A 59 -13.538 -4.907 3.329 1.00 0.00 C ATOM 896 CG HIS A 59 -13.175 -5.953 4.337 1.00 0.00 C ATOM 897 ND1 HIS A 59 -13.076 -7.294 4.028 1.00 0.00 N ATOM 898 CD2 HIS A 59 -12.884 -5.850 5.655 1.00 0.00 C ATOM 899 CE1 HIS A 59 -12.742 -7.969 5.113 1.00 0.00 C ATOM 900 NE2 HIS A 59 -12.619 -7.117 6.114 1.00 0.00 N ATOM 0 H HIS A 59 -14.921 -3.412 4.835 1.00 0.00 H new ATOM 0 HA HIS A 59 -12.101 -3.506 4.097 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.615 -4.933 3.162 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -13.062 -5.149 2.379 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -12.864 -4.941 6.237 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -12.594 -9.037 5.171 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.368 -7.360 7.072 1.00 0.00 H new ATOM 909 N LEU A 60 -12.074 -2.021 2.131 1.00 0.00 N ATOM 910 CA LEU A 60 -12.020 -1.107 0.995 1.00 0.00 C ATOM 911 C LEU A 60 -11.872 -1.875 -0.315 1.00 0.00 C ATOM 912 O LEU A 60 -11.097 -2.827 -0.404 1.00 0.00 O ATOM 913 CB LEU A 60 -10.858 -0.127 1.159 1.00 0.00 C ATOM 914 CG LEU A 60 -11.142 1.117 2.001 1.00 0.00 C ATOM 915 CD1 LEU A 60 -10.884 0.835 3.473 1.00 0.00 C ATOM 916 CD2 LEU A 60 -10.297 2.289 1.524 1.00 0.00 C ATOM 0 H LEU A 60 -11.170 -2.206 2.567 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.956 -0.549 0.964 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.020 -0.661 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.538 0.195 0.168 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.193 1.381 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.091 1.732 4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.533 0.026 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.842 0.545 3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.513 3.166 2.135 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -9.241 2.036 1.613 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.532 2.506 0.482 1.00 0.00 H new ATOM 928 N ALA A 61 -12.619 -1.453 -1.330 1.00 0.00 N ATOM 929 CA ALA A 61 -12.568 -2.098 -2.636 1.00 0.00 C ATOM 930 C ALA A 61 -11.206 -1.900 -3.293 1.00 0.00 C ATOM 931 O ALA A 61 -10.555 -0.868 -3.129 1.00 0.00 O ATOM 932 CB ALA A 61 -13.673 -1.560 -3.534 1.00 0.00 C ATOM 0 H ALA A 61 -13.267 -0.667 -1.273 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.721 -3.168 -2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.623 -2.050 -4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.642 -1.759 -3.077 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -13.546 -0.485 -3.663 1.00 0.00 H new ATOM 938 N PRO A 62 -10.763 -2.911 -4.055 1.00 0.00 N ATOM 939 CA PRO A 62 -9.474 -2.871 -4.751 1.00 0.00 C ATOM 940 C PRO A 62 -9.468 -1.872 -5.903 1.00 0.00 C ATOM 941 O PRO A 62 -8.433 -1.633 -6.526 1.00 0.00 O ATOM 942 CB PRO A 62 -9.313 -4.299 -5.281 1.00 0.00 C ATOM 943 CG PRO A 62 -10.705 -4.816 -5.405 1.00 0.00 C ATOM 944 CD PRO A 62 -11.487 -4.171 -4.295 1.00 0.00 C ATOM 0 HA PRO A 62 -8.665 -2.552 -4.094 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.800 -4.309 -6.243 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.723 -4.910 -4.598 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.129 -4.566 -6.377 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.727 -5.902 -5.318 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.522 -3.991 -4.585 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.510 -4.797 -3.403 1.00 0.00 H new ATOM 952 N HIS A 63 -10.631 -1.290 -6.182 1.00 0.00 N ATOM 953 CA HIS A 63 -10.759 -0.315 -7.259 1.00 0.00 C ATOM 954 C HIS A 63 -10.755 1.108 -6.707 1.00 0.00 C ATOM 955 O HIS A 63 -10.563 2.070 -7.449 1.00 0.00 O ATOM 956 CB HIS A 63 -12.043 -0.564 -8.050 1.00 0.00 C ATOM 957 CG HIS A 63 -12.458 -2.002 -8.082 1.00 0.00 C ATOM 958 ND1 HIS A 63 -13.284 -2.568 -7.133 1.00 0.00 N ATOM 959 CD2 HIS A 63 -12.158 -2.992 -8.956 1.00 0.00 C ATOM 960 CE1 HIS A 63 -13.472 -3.844 -7.422 1.00 0.00 C ATOM 961 NE2 HIS A 63 -12.800 -4.126 -8.523 1.00 0.00 N ATOM 0 H HIS A 63 -11.497 -1.477 -5.677 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.903 -0.430 -7.924 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -12.848 0.028 -7.615 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.904 -0.212 -9.072 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -11.531 -2.906 -9.831 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -14.073 -4.538 -6.854 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -12.764 -5.038 -8.978 1.00 0.00 H new ATOM 970 N GLU A 64 -10.969 1.231 -5.401 1.00 0.00 N ATOM 971 CA GLU A 64 -10.991 2.536 -4.751 1.00 0.00 C ATOM 972 C GLU A 64 -9.575 3.026 -4.464 1.00 0.00 C ATOM 973 O GLU A 64 -8.598 2.335 -4.752 1.00 0.00 O ATOM 974 CB GLU A 64 -11.793 2.469 -3.449 1.00 0.00 C ATOM 975 CG GLU A 64 -13.284 2.271 -3.662 1.00 0.00 C ATOM 976 CD GLU A 64 -13.963 3.507 -4.221 1.00 0.00 C ATOM 977 OE1 GLU A 64 -13.426 4.618 -4.025 1.00 0.00 O ATOM 978 OE2 GLU A 64 -15.030 3.365 -4.852 1.00 0.00 O ATOM 0 H GLU A 64 -11.129 0.444 -4.773 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.470 3.242 -5.429 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.410 1.652 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.634 3.389 -2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.442 1.435 -4.343 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.750 2.002 -2.714 1.00 0.00 H new ATOM 985 N ASN A 65 -9.473 4.223 -3.896 1.00 0.00 N ATOM 986 CA ASN A 65 -8.176 4.807 -3.571 1.00 0.00 C ATOM 987 C ASN A 65 -8.072 5.103 -2.078 1.00 0.00 C ATOM 988 O ASN A 65 -9.019 5.569 -1.445 1.00 0.00 O ATOM 989 CB ASN A 65 -7.956 6.090 -4.374 1.00 0.00 C ATOM 990 CG ASN A 65 -7.727 5.819 -5.848 1.00 0.00 C ATOM 991 OD1 ASN A 65 -6.984 4.908 -6.215 1.00 0.00 O ATOM 992 ND2 ASN A 65 -8.368 6.609 -6.701 1.00 0.00 N ATOM 0 H ASN A 65 -10.272 4.808 -3.651 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.403 4.085 -3.835 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.823 6.741 -4.258 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -7.098 6.626 -3.969 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -8.255 6.473 -7.706 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.974 7.352 -6.352 1.00 0.00 H new ATOM 999 N PRO A 66 -6.893 4.826 -1.501 1.00 0.00 N ATOM 1000 CA PRO A 66 -6.636 5.056 -0.076 1.00 0.00 C ATOM 1001 C PRO A 66 -6.568 6.540 0.268 1.00 0.00 C ATOM 1002 O PRO A 66 -7.233 7.002 1.196 1.00 0.00 O ATOM 1003 CB PRO A 66 -5.275 4.392 0.150 1.00 0.00 C ATOM 1004 CG PRO A 66 -4.616 4.414 -1.185 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.720 4.269 -2.195 1.00 0.00 C ATOM 0 HA PRO A 66 -7.431 4.655 0.552 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.688 4.935 0.890 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.388 3.373 0.519 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.070 5.345 -1.335 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.894 3.603 -1.277 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.499 4.815 -3.112 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.875 3.227 -2.474 1.00 0.00 H new ATOM 1013 N ILE A 67 -5.761 7.281 -0.483 1.00 0.00 N ATOM 1014 CA ILE A 67 -5.608 8.713 -0.258 1.00 0.00 C ATOM 1015 C ILE A 67 -6.947 9.433 -0.371 1.00 0.00 C ATOM 1016 O ILE A 67 -7.211 10.392 0.356 1.00 0.00 O ATOM 1017 CB ILE A 67 -4.616 9.338 -1.256 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -3.284 8.584 -1.225 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -4.404 10.811 -0.941 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -2.294 9.065 -2.262 1.00 0.00 C ATOM 0 H ILE A 67 -5.203 6.913 -1.253 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.217 8.833 0.752 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.034 9.258 -2.259 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.840 8.687 -0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.473 7.522 -1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.700 11.238 -1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.356 11.338 -1.009 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.004 10.913 0.068 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.374 8.487 -2.182 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.718 8.936 -3.258 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.075 10.120 -2.095 1.00 0.00 H new ATOM 1032 N ILE A 68 -7.790 8.964 -1.285 1.00 0.00 N ATOM 1033 CA ILE A 68 -9.103 9.562 -1.491 1.00 0.00 C ATOM 1034 C ILE A 68 -10.104 9.059 -0.456 1.00 0.00 C ATOM 1035 O ILE A 68 -10.925 9.823 0.051 1.00 0.00 O ATOM 1036 CB ILE A 68 -9.644 9.260 -2.901 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -8.912 10.108 -3.943 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -11.142 9.516 -2.959 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -7.531 9.592 -4.280 1.00 0.00 C ATOM 0 H ILE A 68 -7.587 8.172 -1.894 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.980 10.639 -1.381 1.00 0.00 H new ATOM 0 HB ILE A 68 -9.466 8.208 -3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.509 10.145 -4.854 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -8.829 11.130 -3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -11.510 9.298 -3.962 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -11.649 8.874 -2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.342 10.560 -2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.071 10.242 -5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -6.917 9.581 -3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.608 8.581 -4.679 1.00 0.00 H new ATOM 1051 N SER A 69 -10.029 7.769 -0.146 1.00 0.00 N ATOM 1052 CA SER A 69 -10.930 7.162 0.827 1.00 0.00 C ATOM 1053 C SER A 69 -10.697 7.744 2.218 1.00 0.00 C ATOM 1054 O SER A 69 -11.640 7.951 2.983 1.00 0.00 O ATOM 1055 CB SER A 69 -10.736 5.645 0.857 1.00 0.00 C ATOM 1056 OG SER A 69 -11.648 5.032 1.752 1.00 0.00 O ATOM 0 H SER A 69 -9.353 7.123 -0.555 1.00 0.00 H new ATOM 0 HA SER A 69 -11.954 7.383 0.526 1.00 0.00 H new ATOM 0 HB2 SER A 69 -10.875 5.238 -0.144 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.714 5.412 1.157 1.00 0.00 H new ATOM 0 HG SER A 69 -12.212 4.398 1.261 1.00 0.00 H new ATOM 1062 N LEU A 70 -9.435 8.005 2.540 1.00 0.00 N ATOM 1063 CA LEU A 70 -9.076 8.562 3.839 1.00 0.00 C ATOM 1064 C LEU A 70 -9.348 10.062 3.882 1.00 0.00 C ATOM 1065 O LEU A 70 -9.784 10.595 4.902 1.00 0.00 O ATOM 1066 CB LEU A 70 -7.601 8.291 4.142 1.00 0.00 C ATOM 1067 CG LEU A 70 -7.004 9.067 5.317 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -7.582 8.572 6.633 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -5.487 8.947 5.320 1.00 0.00 C ATOM 0 H LEU A 70 -8.643 7.840 1.919 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.691 8.078 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.481 7.225 4.337 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.019 8.519 3.249 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.265 10.119 5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.145 9.136 7.457 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.663 8.711 6.631 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.353 7.514 6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.080 9.505 6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -5.205 7.898 5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.088 9.352 4.390 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.091 10.738 2.767 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.310 12.177 2.677 1.00 0.00 C ATOM 1083 C ASN A 71 -10.706 12.546 3.169 1.00 0.00 C ATOM 1084 O ASN A 71 -10.872 13.471 3.965 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.123 12.653 1.235 1.00 0.00 C ATOM 1086 CG ASN A 71 -7.663 12.845 0.874 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -6.769 12.421 1.608 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -7.413 13.489 -0.260 1.00 0.00 N ATOM 0 H ASN A 71 -8.731 10.312 1.913 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.577 12.672 3.314 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -9.570 11.928 0.555 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.656 13.593 1.094 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.449 13.650 -0.554 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.185 13.823 -0.838 1.00 0.00 H new ATOM 1095 N LYS A 72 -11.708 11.816 2.691 1.00 0.00 N ATOM 1096 CA LYS A 72 -13.091 12.065 3.082 1.00 0.00 C ATOM 1097 C LYS A 72 -13.173 12.498 4.542 1.00 0.00 C ATOM 1098 O LYS A 72 -13.639 13.596 4.848 1.00 0.00 O ATOM 1099 CB LYS A 72 -13.937 10.809 2.863 1.00 0.00 C ATOM 1100 CG LYS A 72 -14.287 10.557 1.407 1.00 0.00 C ATOM 1101 CD LYS A 72 -15.391 11.487 0.930 1.00 0.00 C ATOM 1102 CE LYS A 72 -16.007 10.998 -0.372 1.00 0.00 C ATOM 1103 NZ LYS A 72 -17.014 9.926 -0.141 1.00 0.00 N ATOM 0 H LYS A 72 -11.588 11.047 2.032 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.480 12.871 2.460 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.398 9.946 3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.858 10.897 3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.400 10.697 0.789 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.603 9.521 1.282 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.164 11.559 1.695 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.988 12.490 0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.479 11.835 -0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.221 10.623 -1.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -17.410 9.620 -1.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.559 9.117 0.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -17.778 10.291 0.463 1.00 0.00 H new ATOM 1117 N TRP A 73 -12.717 11.631 5.439 1.00 0.00 N ATOM 1118 CA TRP A 73 -12.738 11.926 6.867 1.00 0.00 C ATOM 1119 C TRP A 73 -12.234 13.339 7.139 1.00 0.00 C ATOM 1120 O TRP A 73 -12.888 14.120 7.828 1.00 0.00 O ATOM 1121 CB TRP A 73 -11.886 10.911 7.631 1.00 0.00 C ATOM 1122 CG TRP A 73 -12.366 9.499 7.480 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -11.819 8.527 6.693 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -13.492 8.903 8.133 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -12.537 7.362 6.817 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -13.568 7.566 7.695 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -14.443 9.367 9.046 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -14.557 6.692 8.139 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -15.424 8.499 9.486 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -15.475 7.174 9.033 1.00 0.00 C ATOM 0 H TRP A 73 -12.328 10.718 5.203 1.00 0.00 H new ATOM 0 HA TRP A 73 -13.770 11.856 7.212 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.856 10.976 7.282 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.881 11.174 8.689 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.950 8.655 6.065 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.335 6.487 6.333 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.412 10.386 9.401 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -14.598 5.671 7.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -16.164 8.848 10.191 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -16.254 6.520 9.396 1.00 0.00 H new ATOM 1141 N GLY A 74 -11.065 13.661 6.592 1.00 0.00 N ATOM 1142 CA GLY A 74 -10.493 14.980 6.787 1.00 0.00 C ATOM 1143 C GLY A 74 -10.282 15.309 8.252 1.00 0.00 C ATOM 1144 O GLY A 74 -9.217 15.041 8.807 1.00 0.00 O ATOM 0 H GLY A 74 -10.504 13.032 6.017 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.539 15.040 6.263 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.149 15.727 6.341 1.00 0.00 H new ATOM 1148 N GLN A 75 -11.299 15.894 8.878 1.00 0.00 N ATOM 1149 CA GLN A 75 -11.217 16.262 10.286 1.00 0.00 C ATOM 1150 C GLN A 75 -10.722 15.091 11.128 1.00 0.00 C ATOM 1151 O GLN A 75 -9.831 15.247 11.963 1.00 0.00 O ATOM 1152 CB GLN A 75 -12.584 16.727 10.793 1.00 0.00 C ATOM 1153 CG GLN A 75 -13.681 15.689 10.625 1.00 0.00 C ATOM 1154 CD GLN A 75 -15.067 16.303 10.598 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -15.344 17.269 11.309 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -15.946 15.744 9.775 1.00 0.00 N ATOM 0 H GLN A 75 -12.188 16.123 8.433 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.503 17.080 10.380 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -12.501 16.988 11.848 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.870 17.635 10.261 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.515 15.137 9.700 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.623 14.969 11.441 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.673 14.944 9.204 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.894 16.114 9.714 1.00 0.00 H new ATOM 1165 N TYR A 76 -11.304 13.919 10.902 1.00 0.00 N ATOM 1166 CA TYR A 76 -10.923 12.721 11.642 1.00 0.00 C ATOM 1167 C TYR A 76 -10.212 11.723 10.733 1.00 0.00 C ATOM 1168 O TYR A 76 -10.399 10.513 10.855 1.00 0.00 O ATOM 1169 CB TYR A 76 -12.157 12.069 12.267 1.00 0.00 C ATOM 1170 CG TYR A 76 -12.525 12.639 13.618 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -11.652 12.542 14.696 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -13.744 13.275 13.818 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -11.984 13.061 15.932 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -14.083 13.799 15.051 1.00 0.00 C ATOM 1175 CZ TYR A 76 -13.200 13.689 16.105 1.00 0.00 C ATOM 1176 OH TYR A 76 -13.534 14.208 17.335 1.00 0.00 O ATOM 0 H TYR A 76 -12.041 13.772 10.213 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.236 13.017 12.435 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -13.003 12.188 11.590 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.979 10.999 12.370 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.698 12.053 14.564 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -14.439 13.361 12.996 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.295 12.976 16.759 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -15.034 14.292 15.189 1.00 0.00 H new ATOM 0 HH TYR A 76 -14.423 14.617 17.287 1.00 0.00 H new ATOM 1186 N ALA A 77 -9.395 12.241 9.822 1.00 0.00 N ATOM 1187 CA ALA A 77 -8.653 11.396 8.894 1.00 0.00 C ATOM 1188 C ALA A 77 -7.492 10.699 9.595 1.00 0.00 C ATOM 1189 O ALA A 77 -7.418 9.470 9.620 1.00 0.00 O ATOM 1190 CB ALA A 77 -8.145 12.221 7.721 1.00 0.00 C ATOM 0 H ALA A 77 -9.230 13.241 9.707 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.330 10.629 8.519 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.593 11.578 7.036 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.990 12.668 7.197 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.488 13.009 8.088 1.00 0.00 H new ATOM 1196 N SER A 78 -6.587 11.490 10.162 1.00 0.00 N ATOM 1197 CA SER A 78 -5.427 10.948 10.859 1.00 0.00 C ATOM 1198 C SER A 78 -5.838 9.824 11.806 1.00 0.00 C ATOM 1199 O SER A 78 -5.216 8.762 11.833 1.00 0.00 O ATOM 1200 CB SER A 78 -4.713 12.053 11.641 1.00 0.00 C ATOM 1201 OG SER A 78 -5.539 12.563 12.673 1.00 0.00 O ATOM 0 H SER A 78 -6.635 12.509 10.152 1.00 0.00 H new ATOM 0 HA SER A 78 -4.744 10.540 10.114 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.790 11.662 12.069 1.00 0.00 H new ATOM 0 HB3 SER A 78 -4.433 12.859 10.963 1.00 0.00 H new ATOM 0 HG SER A 78 -5.059 13.266 13.159 1.00 0.00 H new ATOM 1207 N ASP A 79 -6.890 10.067 12.580 1.00 0.00 N ATOM 1208 CA ASP A 79 -7.387 9.076 13.527 1.00 0.00 C ATOM 1209 C ASP A 79 -7.530 7.711 12.861 1.00 0.00 C ATOM 1210 O ASP A 79 -7.259 6.678 13.474 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.732 9.520 14.104 1.00 0.00 C ATOM 1212 CG ASP A 79 -9.265 8.551 15.141 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -9.053 7.331 14.978 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -9.894 9.013 16.116 1.00 0.00 O ATOM 0 H ASP A 79 -7.415 10.942 12.570 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.664 8.990 14.338 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.623 10.506 14.555 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.457 9.617 13.296 1.00 0.00 H new ATOM 1219 N VAL A 80 -7.959 7.714 11.603 1.00 0.00 N ATOM 1220 CA VAL A 80 -8.138 6.477 10.854 1.00 0.00 C ATOM 1221 C VAL A 80 -6.812 5.750 10.667 1.00 0.00 C ATOM 1222 O VAL A 80 -5.836 6.331 10.194 1.00 0.00 O ATOM 1223 CB VAL A 80 -8.764 6.743 9.472 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -8.899 5.447 8.687 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -10.114 7.428 9.622 1.00 0.00 C ATOM 0 H VAL A 80 -8.189 8.560 11.081 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.813 5.850 11.436 1.00 0.00 H new ATOM 0 HB VAL A 80 -8.104 7.409 8.916 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.343 5.656 7.714 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.914 5.001 8.548 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.537 4.754 9.236 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.542 7.608 8.636 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.784 6.789 10.197 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.984 8.378 10.141 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.784 4.475 11.041 1.00 0.00 N ATOM 1236 CA GLN A 81 -5.576 3.668 10.915 1.00 0.00 C ATOM 1237 C GLN A 81 -5.807 2.484 9.982 1.00 0.00 C ATOM 1238 O GLN A 81 -6.766 1.729 10.145 1.00 0.00 O ATOM 1239 CB GLN A 81 -5.124 3.169 12.289 1.00 0.00 C ATOM 1240 CG GLN A 81 -4.520 4.256 13.163 1.00 0.00 C ATOM 1241 CD GLN A 81 -4.187 3.766 14.558 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -4.247 2.568 14.838 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -3.832 4.691 15.442 1.00 0.00 N ATOM 0 H GLN A 81 -7.584 3.979 11.434 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.793 4.296 10.489 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -5.978 2.731 12.806 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.391 2.374 12.154 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.615 4.636 12.690 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.218 5.091 13.232 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.796 5.672 15.167 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -3.596 4.420 16.397 1.00 0.00 H new ATOM 1252 N LEU A 82 -4.923 2.328 9.003 1.00 0.00 N ATOM 1253 CA LEU A 82 -5.030 1.235 8.042 1.00 0.00 C ATOM 1254 C LEU A 82 -4.329 -0.016 8.560 1.00 0.00 C ATOM 1255 O LEU A 82 -3.303 0.069 9.235 1.00 0.00 O ATOM 1256 CB LEU A 82 -4.428 1.651 6.698 1.00 0.00 C ATOM 1257 CG LEU A 82 -5.293 2.566 5.830 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -4.420 3.464 4.967 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -6.236 1.744 4.963 1.00 0.00 C ATOM 0 H LEU A 82 -4.124 2.944 8.853 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.087 1.006 7.905 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.479 2.153 6.887 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.203 0.749 6.128 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.892 3.197 6.486 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.053 4.108 4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.786 4.079 5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.795 2.850 4.319 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.844 2.412 4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.655 1.087 4.315 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.885 1.143 5.600 1.00 0.00 H new ATOM 1271 N ILE A 83 -4.890 -1.178 8.239 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.317 -2.447 8.669 1.00 0.00 C ATOM 1273 C ILE A 83 -4.296 -3.457 7.527 1.00 0.00 C ATOM 1274 O ILE A 83 -5.342 -3.817 6.983 1.00 0.00 O ATOM 1275 CB ILE A 83 -5.099 -3.045 9.854 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -4.989 -2.133 11.077 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -4.584 -4.439 10.178 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -5.957 -2.488 12.185 1.00 0.00 C ATOM 0 H ILE A 83 -5.740 -1.266 7.683 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.295 -2.240 8.986 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.150 -3.123 9.575 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.972 -2.181 11.465 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.165 -1.102 10.769 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.146 -4.849 11.017 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.709 -5.084 9.308 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.528 -4.385 10.441 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -5.823 -1.800 13.020 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.979 -2.413 11.813 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -5.767 -3.507 12.521 1.00 0.00 H new ATOM 1290 N LEU A 84 -3.101 -3.911 7.167 1.00 0.00 N ATOM 1291 CA LEU A 84 -2.944 -4.882 6.090 1.00 0.00 C ATOM 1292 C LEU A 84 -3.165 -6.302 6.600 1.00 0.00 C ATOM 1293 O LEU A 84 -2.397 -6.803 7.422 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.551 -4.762 5.468 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.438 -5.157 3.995 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -2.314 -4.261 3.133 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.011 -5.091 3.536 1.00 0.00 C ATOM 0 H LEU A 84 -2.226 -3.622 7.605 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.695 -4.668 5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.215 -3.730 5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.863 -5.382 6.044 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.787 -6.184 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.220 -4.557 2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.353 -4.358 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.997 -3.224 3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.073 -5.375 2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.386 -4.075 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.613 -5.775 4.133 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.217 -6.946 6.106 1.00 0.00 N ATOM 1310 CA ARG A 85 -4.538 -8.309 6.511 1.00 0.00 C ATOM 1311 C ARG A 85 -5.256 -9.055 5.390 1.00 0.00 C ATOM 1312 O ARG A 85 -6.123 -8.498 4.716 1.00 0.00 O ATOM 1313 CB ARG A 85 -5.408 -8.299 7.769 1.00 0.00 C ATOM 1314 CG ARG A 85 -4.626 -8.045 9.048 1.00 0.00 C ATOM 1315 CD ARG A 85 -5.519 -8.145 10.275 1.00 0.00 C ATOM 1316 NE ARG A 85 -4.929 -7.483 11.436 1.00 0.00 N ATOM 1317 CZ ARG A 85 -5.466 -7.513 12.651 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -6.598 -8.169 12.862 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -4.869 -6.886 13.657 1.00 0.00 N ATOM 0 H ARG A 85 -4.862 -6.546 5.424 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.603 -8.826 6.728 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.175 -7.532 7.664 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -5.923 -9.256 7.852 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.813 -8.767 9.128 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -4.171 -7.055 9.007 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.488 -7.697 10.056 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.699 -9.194 10.508 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.057 -6.970 11.307 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.059 -8.652 12.091 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.008 -8.191 13.796 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.997 -6.381 13.498 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -5.282 -6.909 14.589 1.00 0.00 H new ATOM 1333 N ARG A 86 -4.889 -10.317 5.196 1.00 0.00 N ATOM 1334 CA ARG A 86 -5.496 -11.138 4.155 1.00 0.00 C ATOM 1335 C ARG A 86 -6.958 -11.432 4.479 1.00 0.00 C ATOM 1336 O ARG A 86 -7.358 -11.444 5.644 1.00 0.00 O ATOM 1337 CB ARG A 86 -4.725 -12.450 3.996 1.00 0.00 C ATOM 1338 CG ARG A 86 -4.971 -13.442 5.121 1.00 0.00 C ATOM 1339 CD ARG A 86 -4.256 -13.025 6.397 1.00 0.00 C ATOM 1340 NE ARG A 86 -3.996 -14.163 7.275 1.00 0.00 N ATOM 1341 CZ ARG A 86 -3.184 -14.110 8.325 1.00 0.00 C ATOM 1342 NH1 ARG A 86 -2.557 -12.982 8.626 1.00 0.00 N ATOM 1343 NH2 ARG A 86 -2.999 -15.188 9.077 1.00 0.00 N ATOM 0 H ARG A 86 -4.174 -10.794 5.746 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.453 -10.583 3.218 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.003 -12.912 3.049 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.659 -12.231 3.943 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -6.041 -13.520 5.311 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.628 -14.431 4.817 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.313 -12.540 6.143 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.860 -12.289 6.927 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.463 -15.046 7.071 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -2.697 -12.151 8.051 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.934 -12.944 9.433 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.480 -16.058 8.849 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.375 -15.147 9.883 1.00 0.00 H new ATOM 1357 N THR A 87 -7.753 -11.668 3.440 1.00 0.00 N ATOM 1358 CA THR A 87 -9.171 -11.960 3.612 1.00 0.00 C ATOM 1359 C THR A 87 -9.597 -13.144 2.753 1.00 0.00 C ATOM 1360 O THR A 87 -10.066 -12.971 1.629 1.00 0.00 O ATOM 1361 CB THR A 87 -10.042 -10.741 3.256 1.00 0.00 C ATOM 1362 OG1 THR A 87 -11.372 -11.166 2.935 1.00 0.00 O ATOM 1363 CG2 THR A 87 -9.451 -9.978 2.080 1.00 0.00 C ATOM 0 H THR A 87 -7.439 -11.663 2.470 1.00 0.00 H new ATOM 0 HA THR A 87 -9.318 -12.207 4.663 1.00 0.00 H new ATOM 0 HB THR A 87 -10.071 -10.078 4.121 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.355 -11.702 2.115 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.084 -9.121 1.847 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.450 -9.631 2.337 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.395 -10.634 1.212 1.00 0.00 H new ATOM 1371 N GLY A 88 -9.431 -14.349 3.289 1.00 0.00 N ATOM 1372 CA GLY A 88 -9.804 -15.545 2.557 1.00 0.00 C ATOM 1373 C GLY A 88 -8.725 -15.996 1.593 1.00 0.00 C ATOM 1374 O GLY A 88 -8.764 -15.696 0.399 1.00 0.00 O ATOM 0 H GLY A 88 -9.045 -14.518 4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.015 -16.348 3.263 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.725 -15.357 2.005 1.00 0.00 H new ATOM 1378 N PRO A 89 -7.732 -16.732 2.113 1.00 0.00 N ATOM 1379 CA PRO A 89 -6.617 -17.239 1.308 1.00 0.00 C ATOM 1380 C PRO A 89 -7.052 -18.333 0.339 1.00 0.00 C ATOM 1381 O PRO A 89 -7.660 -19.325 0.740 1.00 0.00 O ATOM 1382 CB PRO A 89 -5.652 -17.804 2.353 1.00 0.00 C ATOM 1383 CG PRO A 89 -6.514 -18.145 3.519 1.00 0.00 C ATOM 1384 CD PRO A 89 -7.621 -17.127 3.527 1.00 0.00 C ATOM 0 HA PRO A 89 -6.181 -16.461 0.682 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -5.130 -18.684 1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -4.890 -17.073 2.624 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -6.913 -19.155 3.427 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -5.945 -18.110 4.448 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -8.553 -17.550 3.900 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.380 -16.276 4.164 1.00 0.00 H new ATOM 1392 N SER A 90 -6.737 -18.145 -0.939 1.00 0.00 N ATOM 1393 CA SER A 90 -7.099 -19.115 -1.966 1.00 0.00 C ATOM 1394 C SER A 90 -6.313 -18.866 -3.250 1.00 0.00 C ATOM 1395 O SER A 90 -5.940 -17.733 -3.552 1.00 0.00 O ATOM 1396 CB SER A 90 -8.600 -19.049 -2.253 1.00 0.00 C ATOM 1397 OG SER A 90 -8.928 -19.775 -3.425 1.00 0.00 O ATOM 0 H SER A 90 -6.232 -17.330 -1.288 1.00 0.00 H new ATOM 0 HA SER A 90 -6.850 -20.109 -1.595 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.154 -19.452 -1.405 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.906 -18.009 -2.368 1.00 0.00 H new ATOM 0 HG SER A 90 -9.893 -19.719 -3.585 1.00 0.00 H new ATOM 1403 N GLY A 91 -6.065 -19.934 -4.001 1.00 0.00 N ATOM 1404 CA GLY A 91 -5.325 -19.812 -5.244 1.00 0.00 C ATOM 1405 C GLY A 91 -3.951 -20.446 -5.165 1.00 0.00 C ATOM 1406 O GLY A 91 -3.551 -20.986 -4.133 1.00 0.00 O ATOM 0 H GLY A 91 -6.363 -20.882 -3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.892 -20.280 -6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.221 -18.757 -5.499 1.00 0.00 H new ATOM 1410 N PRO A 92 -3.203 -20.387 -6.277 1.00 0.00 N ATOM 1411 CA PRO A 92 -1.854 -20.957 -6.355 1.00 0.00 C ATOM 1412 C PRO A 92 -0.846 -20.177 -5.517 1.00 0.00 C ATOM 1413 O PRO A 92 -1.128 -19.069 -5.063 1.00 0.00 O ATOM 1414 CB PRO A 92 -1.510 -20.851 -7.842 1.00 0.00 C ATOM 1415 CG PRO A 92 -2.344 -19.723 -8.345 1.00 0.00 C ATOM 1416 CD PRO A 92 -3.615 -19.760 -7.543 1.00 0.00 C ATOM 0 HA PRO A 92 -1.818 -21.975 -5.967 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.448 -20.655 -7.990 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.739 -21.778 -8.368 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.830 -18.770 -8.218 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.551 -19.834 -9.409 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.018 -18.760 -7.383 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.390 -20.340 -8.045 1.00 0.00 H new ATOM 1424 N SER A 93 0.330 -20.764 -5.318 1.00 0.00 N ATOM 1425 CA SER A 93 1.379 -20.125 -4.532 1.00 0.00 C ATOM 1426 C SER A 93 1.830 -18.821 -5.185 1.00 0.00 C ATOM 1427 O SER A 93 1.764 -18.671 -6.405 1.00 0.00 O ATOM 1428 CB SER A 93 2.573 -21.068 -4.373 1.00 0.00 C ATOM 1429 OG SER A 93 3.617 -20.451 -3.640 1.00 0.00 O ATOM 0 H SER A 93 0.580 -21.680 -5.690 1.00 0.00 H new ATOM 0 HA SER A 93 0.972 -19.896 -3.547 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.256 -21.978 -3.864 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.940 -21.364 -5.356 1.00 0.00 H new ATOM 0 HG SER A 93 4.367 -21.075 -3.551 1.00 0.00 H new ATOM 1435 N SER A 94 2.286 -17.882 -4.363 1.00 0.00 N ATOM 1436 CA SER A 94 2.744 -16.590 -4.859 1.00 0.00 C ATOM 1437 C SER A 94 4.264 -16.567 -4.994 1.00 0.00 C ATOM 1438 O SER A 94 4.802 -16.120 -6.006 1.00 0.00 O ATOM 1439 CB SER A 94 2.288 -15.469 -3.922 1.00 0.00 C ATOM 1440 OG SER A 94 0.996 -15.005 -4.274 1.00 0.00 O ATOM 0 H SER A 94 2.348 -17.992 -3.351 1.00 0.00 H new ATOM 0 HA SER A 94 2.306 -16.432 -5.845 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.280 -15.831 -2.894 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.999 -14.644 -3.964 1.00 0.00 H new ATOM 0 HG SER A 94 1.040 -14.051 -4.495 1.00 0.00 H new ATOM 1446 N GLY A 95 4.951 -17.054 -3.965 1.00 0.00 N ATOM 1447 CA GLY A 95 6.402 -17.080 -3.987 1.00 0.00 C ATOM 1448 C GLY A 95 6.998 -17.345 -2.619 1.00 0.00 C ATOM 1449 O GLY A 95 7.951 -16.681 -2.211 1.00 0.00 O ATOM 0 H GLY A 95 4.529 -17.431 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.738 -17.850 -4.682 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.774 -16.127 -4.363 1.00 0.00 H new TER 1453 GLY A 95