USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 759 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 10 HIS : no HD1:sc= -0.282 X(o=-2,f=-2.3) USER MOD Set 1.2: A 84 ASN : amide:sc= -1.76 K(o=-2,f=-3.9) USER MOD Set 2.1: A 62 ASN : amide:sc= -0.113 X(o=0.22,f=0.28) USER MOD Set 2.2: A 81 SER OG : rot -111:sc= 0.332 USER MOD Set 3.1: A 27 ASN : amide:sc= -1.94 K(o=-3.2,f=-2.4) USER MOD Set 3.2: A 71 HIS : no HD1:sc= -1.3 K(o=-3.2,f=-2.4) USER MOD Set 4.1: A 65 SER OG : rot -170:sc= 0 USER MOD Set 4.2: A 68 ASN : amide:sc= -0.29 X(o=-0.29,f=-0.17) USER MOD Set 5.1: A 60 MET CE :methyl 149:sc= -0.122 (180deg=-1.03) USER MOD Set 5.2: A 88 THR OG1 : rot 71:sc= 0.599 USER MOD Set 6.1: A 22 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -5.67! C(o=-5.7!,f=-4.4!) USER MOD Single : A 5 HIS : no HD1:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.788 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -1 HIS : no HD1:sc= -0.802 X(o=-0.8,f=-0.52) USER MOD Single : A -3 SER OG : rot 180:sc= 0 USER MOD Single : A -7 GLY N :NH3+ -134:sc= -0.0495 (180deg=-0.845) USER MOD Single : A 29 HIS : no HD1:sc= -0.0148 X(o=-0.015,f=-0.14) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00682 USER MOD Single : A 36 SER OG : rot 150:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.615 K(o=-0.62,f=-4!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 66 MET CE :methyl -104:sc= -3.41 (180deg=-8.75!) USER MOD Single : A 76 GLN : amide:sc= -0.1 K(o=-0.1,f=-0.66) USER MOD Single : A 77 GLN : amide:sc= -0.463 K(o=-0.46,f=-3.7!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -117:sc= -1.23 (180deg=-4.32!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -7 14.674 19.611 -11.852 1.00 0.00 N ATOM 2 CA GLY A -7 14.951 20.185 -10.506 1.00 0.00 C ATOM 3 C GLY A -7 14.462 21.615 -10.373 1.00 0.00 C ATOM 4 O GLY A -7 13.428 21.863 -9.753 1.00 0.00 O ATOM 0 H1 GLY A -7 14.275 18.656 -11.747 1.00 0.00 H new ATOM 0 H2 GLY A -7 13.994 20.217 -12.355 1.00 0.00 H new ATOM 0 H3 GLY A -7 15.559 19.558 -12.396 1.00 0.00 H new ATOM 0 HA2 GLY A -7 14.472 19.568 -9.746 1.00 0.00 H new ATOM 0 HA3 GLY A -7 16.023 20.152 -10.314 1.00 0.00 H new ATOM 10 N PRO A -6 15.189 22.586 -10.952 1.00 0.00 N ATOM 11 CA PRO A -6 14.810 24.000 -10.889 1.00 0.00 C ATOM 12 C PRO A -6 13.565 24.301 -11.715 1.00 0.00 C ATOM 13 O PRO A -6 12.814 25.229 -11.412 1.00 0.00 O ATOM 14 CB PRO A -6 16.027 24.721 -11.472 1.00 0.00 C ATOM 15 CG PRO A -6 16.674 23.717 -12.360 1.00 0.00 C ATOM 16 CD PRO A -6 16.436 22.380 -11.713 1.00 0.00 C ATOM 0 HA PRO A -6 14.561 24.311 -9.874 1.00 0.00 H new ATOM 0 HB2 PRO A -6 15.731 25.610 -12.029 1.00 0.00 H new ATOM 0 HB3 PRO A -6 16.706 25.050 -10.686 1.00 0.00 H new ATOM 0 HG2 PRO A -6 16.245 23.748 -13.362 1.00 0.00 H new ATOM 0 HG3 PRO A -6 17.741 23.917 -12.463 1.00 0.00 H new ATOM 0 HD2 PRO A -6 16.328 21.588 -12.454 1.00 0.00 H new ATOM 0 HD3 PRO A -6 17.262 22.096 -11.061 1.00 0.00 H new ATOM 24 N LEU A -5 13.351 23.510 -12.761 1.00 0.00 N ATOM 25 CA LEU A -5 12.197 23.690 -13.634 1.00 0.00 C ATOM 26 C LEU A -5 11.075 22.729 -13.253 1.00 0.00 C ATOM 27 O LEU A -5 9.965 23.151 -12.925 1.00 0.00 O ATOM 28 CB LEU A -5 12.598 23.477 -15.096 1.00 0.00 C ATOM 29 CG LEU A -5 12.202 24.607 -16.047 1.00 0.00 C ATOM 30 CD1 LEU A -5 10.693 24.796 -16.051 1.00 0.00 C ATOM 31 CD2 LEU A -5 12.902 25.900 -15.656 1.00 0.00 C ATOM 0 H LEU A -5 13.962 22.737 -13.025 1.00 0.00 H new ATOM 0 HA LEU A -5 11.834 24.710 -13.512 1.00 0.00 H new ATOM 0 HB2 LEU A -5 13.679 23.344 -15.145 1.00 0.00 H new ATOM 0 HB3 LEU A -5 12.146 22.550 -15.449 1.00 0.00 H new ATOM 0 HG LEU A -5 12.516 24.337 -17.055 1.00 0.00 H new ATOM 0 HD11 LEU A -5 10.429 25.604 -16.733 1.00 0.00 H new ATOM 0 HD12 LEU A -5 10.212 23.874 -16.377 1.00 0.00 H new ATOM 0 HD13 LEU A -5 10.355 25.045 -15.045 1.00 0.00 H new ATOM 0 HD21 LEU A -5 12.609 26.694 -16.343 1.00 0.00 H new ATOM 0 HD22 LEU A -5 12.617 26.175 -14.640 1.00 0.00 H new ATOM 0 HD23 LEU A -5 13.982 25.758 -15.704 1.00 0.00 H new ATOM 43 N GLY A -4 11.370 21.434 -13.300 1.00 0.00 N ATOM 44 CA GLY A -4 10.377 20.432 -12.959 1.00 0.00 C ATOM 45 C GLY A -4 10.864 19.020 -13.218 1.00 0.00 C ATOM 46 O GLY A -4 11.473 18.747 -14.253 1.00 0.00 O ATOM 0 H GLY A -4 12.280 21.060 -13.569 1.00 0.00 H new ATOM 0 HA2 GLY A -4 10.110 20.533 -11.907 1.00 0.00 H new ATOM 0 HA3 GLY A -4 9.471 20.612 -13.537 1.00 0.00 H new ATOM 50 N SER A -3 10.597 18.122 -12.277 1.00 0.00 N ATOM 51 CA SER A -3 11.012 16.730 -12.408 1.00 0.00 C ATOM 52 C SER A -3 10.008 15.939 -13.240 1.00 0.00 C ATOM 53 O SER A -3 10.264 15.619 -14.401 1.00 0.00 O ATOM 54 CB SER A -3 11.165 16.089 -11.028 1.00 0.00 C ATOM 55 OG SER A -3 12.315 16.581 -10.361 1.00 0.00 O ATOM 0 H SER A -3 10.095 18.333 -11.415 1.00 0.00 H new ATOM 0 HA SER A -3 11.975 16.711 -12.918 1.00 0.00 H new ATOM 0 HB2 SER A -3 10.278 16.293 -10.428 1.00 0.00 H new ATOM 0 HB3 SER A -3 11.237 15.006 -11.132 1.00 0.00 H new ATOM 0 HG SER A -3 12.389 16.157 -9.481 1.00 0.00 H new ATOM 61 N ASP A -2 8.865 15.627 -12.638 1.00 0.00 N ATOM 62 CA ASP A -2 7.820 14.874 -13.323 1.00 0.00 C ATOM 63 C ASP A -2 6.591 14.720 -12.433 1.00 0.00 C ATOM 64 O ASP A -2 5.472 15.024 -12.846 1.00 0.00 O ATOM 65 CB ASP A -2 8.341 13.496 -13.737 1.00 0.00 C ATOM 66 CG ASP A -2 9.084 12.795 -12.616 1.00 0.00 C ATOM 67 OD1 ASP A -2 10.060 13.375 -12.096 1.00 0.00 O ATOM 68 OD2 ASP A -2 8.689 11.666 -12.258 1.00 0.00 O ATOM 0 H ASP A -2 8.639 15.884 -11.677 1.00 0.00 H new ATOM 0 HA ASP A -2 7.533 15.428 -14.217 1.00 0.00 H new ATOM 0 HB2 ASP A -2 7.504 12.876 -14.057 1.00 0.00 H new ATOM 0 HB3 ASP A -2 9.004 13.605 -14.596 1.00 0.00 H new ATOM 73 N HIS A -1 6.807 14.248 -11.208 1.00 0.00 N ATOM 74 CA HIS A -1 5.716 14.056 -10.260 1.00 0.00 C ATOM 75 C HIS A -1 4.651 13.125 -10.833 1.00 0.00 C ATOM 76 O HIS A -1 3.469 13.244 -10.509 1.00 0.00 O ATOM 77 CB HIS A -1 5.090 15.403 -9.893 1.00 0.00 C ATOM 78 CG HIS A -1 4.137 15.329 -8.741 1.00 0.00 C ATOM 79 ND1 HIS A -1 3.302 16.368 -8.386 1.00 0.00 N ATOM 80 CD2 HIS A -1 3.888 14.331 -7.860 1.00 0.00 C ATOM 81 CE1 HIS A -1 2.583 16.013 -7.337 1.00 0.00 C ATOM 82 NE2 HIS A -1 2.918 14.782 -6.999 1.00 0.00 N ATOM 0 H HIS A -1 7.727 13.992 -10.850 1.00 0.00 H new ATOM 0 HA HIS A -1 6.126 13.596 -9.361 1.00 0.00 H new ATOM 0 HB2 HIS A -1 5.884 16.109 -9.651 1.00 0.00 H new ATOM 0 HB3 HIS A -1 4.565 15.799 -10.763 1.00 0.00 H new ATOM 0 HD2 HIS A -1 4.364 13.362 -7.839 1.00 0.00 H new ATOM 0 HE1 HIS A -1 1.846 16.626 -6.840 1.00 0.00 H new ATOM 0 HE2 HIS A -1 2.521 14.251 -6.224 1.00 0.00 H new ATOM 91 N ILE A 1 5.078 12.201 -11.687 1.00 0.00 N ATOM 92 CA ILE A 1 4.161 11.251 -12.305 1.00 0.00 C ATOM 93 C ILE A 1 4.299 9.867 -11.679 1.00 0.00 C ATOM 94 O ILE A 1 5.408 9.363 -11.501 1.00 0.00 O ATOM 95 CB ILE A 1 4.401 11.148 -13.827 1.00 0.00 C ATOM 96 CG1 ILE A 1 3.350 10.243 -14.474 1.00 0.00 C ATOM 97 CG2 ILE A 1 5.804 10.631 -14.113 1.00 0.00 C ATOM 98 CD1 ILE A 1 2.774 10.807 -15.755 1.00 0.00 C ATOM 0 H ILE A 1 6.053 12.090 -11.967 1.00 0.00 H new ATOM 0 HA ILE A 1 3.151 11.623 -12.130 1.00 0.00 H new ATOM 0 HB ILE A 1 4.309 12.144 -14.259 1.00 0.00 H new ATOM 0 HG12 ILE A 1 3.798 9.271 -14.683 1.00 0.00 H new ATOM 0 HG13 ILE A 1 2.540 10.075 -13.764 1.00 0.00 H new ATOM 0 HG21 ILE A 1 5.955 10.565 -15.190 1.00 0.00 H new ATOM 0 HG22 ILE A 1 6.538 11.314 -13.685 1.00 0.00 H new ATOM 0 HG23 ILE A 1 5.925 9.643 -13.669 1.00 0.00 H new ATOM 0 HD11 ILE A 1 2.036 10.114 -16.158 1.00 0.00 H new ATOM 0 HD12 ILE A 1 2.297 11.765 -15.549 1.00 0.00 H new ATOM 0 HD13 ILE A 1 3.574 10.949 -16.482 1.00 0.00 H new ATOM 110 N TRP A 2 3.167 9.258 -11.346 1.00 0.00 N ATOM 111 CA TRP A 2 3.161 7.932 -10.738 1.00 0.00 C ATOM 112 C TRP A 2 2.878 6.855 -11.782 1.00 0.00 C ATOM 113 O TRP A 2 2.003 7.016 -12.634 1.00 0.00 O ATOM 114 CB TRP A 2 2.116 7.866 -9.622 1.00 0.00 C ATOM 115 CG TRP A 2 2.713 7.857 -8.247 1.00 0.00 C ATOM 116 CD1 TRP A 2 3.496 6.882 -7.698 1.00 0.00 C ATOM 117 CD2 TRP A 2 2.571 8.871 -7.245 1.00 0.00 C ATOM 118 NE1 TRP A 2 3.851 7.228 -6.417 1.00 0.00 N ATOM 119 CE2 TRP A 2 3.295 8.445 -6.115 1.00 0.00 C ATOM 120 CE3 TRP A 2 1.903 10.098 -7.193 1.00 0.00 C ATOM 121 CZ2 TRP A 2 3.370 9.202 -4.949 1.00 0.00 C ATOM 122 CZ3 TRP A 2 1.978 10.848 -6.034 1.00 0.00 C ATOM 123 CH2 TRP A 2 2.707 10.399 -4.927 1.00 0.00 C ATOM 0 H TRP A 2 2.241 9.661 -11.487 1.00 0.00 H new ATOM 0 HA TRP A 2 4.148 7.749 -10.314 1.00 0.00 H new ATOM 0 HB2 TRP A 2 1.444 8.719 -9.713 1.00 0.00 H new ATOM 0 HB3 TRP A 2 1.511 6.969 -9.753 1.00 0.00 H new ATOM 0 HD1 TRP A 2 3.793 5.972 -8.198 1.00 0.00 H new ATOM 0 HE1 TRP A 2 4.433 6.671 -5.792 1.00 0.00 H new ATOM 0 HE3 TRP A 2 1.339 10.453 -8.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 3.931 8.857 -4.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 1.465 11.797 -5.982 1.00 0.00 H new ATOM 0 HH2 TRP A 2 2.747 11.010 -4.037 1.00 0.00 H new ATOM 134 N GLU A 3 3.622 5.758 -11.705 1.00 0.00 N ATOM 135 CA GLU A 3 3.450 4.649 -12.639 1.00 0.00 C ATOM 136 C GLU A 3 3.045 3.383 -11.893 1.00 0.00 C ATOM 137 O GLU A 3 3.416 3.196 -10.739 1.00 0.00 O ATOM 138 CB GLU A 3 4.744 4.406 -13.417 1.00 0.00 C ATOM 139 CG GLU A 3 4.557 3.549 -14.659 1.00 0.00 C ATOM 140 CD GLU A 3 5.843 3.370 -15.442 1.00 0.00 C ATOM 141 OE1 GLU A 3 6.751 4.216 -15.294 1.00 0.00 O ATOM 142 OE2 GLU A 3 5.942 2.385 -16.204 1.00 0.00 O ATOM 0 H GLU A 3 4.350 5.611 -11.006 1.00 0.00 H new ATOM 0 HA GLU A 3 2.659 4.910 -13.342 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.168 5.367 -13.709 1.00 0.00 H new ATOM 0 HB3 GLU A 3 5.468 3.925 -12.760 1.00 0.00 H new ATOM 0 HG2 GLU A 3 4.174 2.571 -14.367 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.805 4.006 -15.302 1.00 0.00 H new ATOM 149 N GLN A 4 2.275 2.525 -12.556 1.00 0.00 N ATOM 150 CA GLN A 4 1.804 1.285 -11.950 1.00 0.00 C ATOM 151 C GLN A 4 2.537 0.070 -12.504 1.00 0.00 C ATOM 152 O GLN A 4 2.769 -0.042 -13.708 1.00 0.00 O ATOM 153 CB GLN A 4 0.301 1.121 -12.196 1.00 0.00 C ATOM 154 CG GLN A 4 -0.335 0.017 -11.368 1.00 0.00 C ATOM 155 CD GLN A 4 -1.504 -0.641 -12.075 1.00 0.00 C ATOM 156 OE1 GLN A 4 -1.497 -0.798 -13.296 1.00 0.00 O ATOM 157 NE2 GLN A 4 -2.517 -1.029 -11.308 1.00 0.00 N ATOM 0 H GLN A 4 1.963 2.667 -13.517 1.00 0.00 H new ATOM 0 HA GLN A 4 2.005 1.347 -10.881 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.200 2.064 -11.975 1.00 0.00 H new ATOM 0 HB3 GLN A 4 0.135 0.912 -13.253 1.00 0.00 H new ATOM 0 HG2 GLN A 4 0.417 -0.738 -11.137 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -0.675 0.430 -10.418 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.480 -0.879 -10.300 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -3.332 -1.477 -11.727 1.00 0.00 H new ATOM 166 N HIS A 5 2.893 -0.841 -11.603 1.00 0.00 N ATOM 167 CA HIS A 5 3.595 -2.062 -11.972 1.00 0.00 C ATOM 168 C HIS A 5 2.952 -3.272 -11.300 1.00 0.00 C ATOM 169 O HIS A 5 2.571 -3.215 -10.128 1.00 0.00 O ATOM 170 CB HIS A 5 5.070 -1.967 -11.578 1.00 0.00 C ATOM 171 CG HIS A 5 5.831 -0.938 -12.354 1.00 0.00 C ATOM 172 ND1 HIS A 5 6.588 0.048 -11.756 1.00 0.00 N ATOM 173 CD2 HIS A 5 5.952 -0.744 -13.689 1.00 0.00 C ATOM 174 CE1 HIS A 5 7.140 0.804 -12.689 1.00 0.00 C ATOM 175 NE2 HIS A 5 6.770 0.344 -13.870 1.00 0.00 N ATOM 0 H HIS A 5 2.704 -0.753 -10.605 1.00 0.00 H new ATOM 0 HA HIS A 5 3.526 -2.185 -13.053 1.00 0.00 H new ATOM 0 HB2 HIS A 5 5.140 -1.734 -10.515 1.00 0.00 H new ATOM 0 HB3 HIS A 5 5.540 -2.940 -11.722 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.491 -1.335 -14.466 1.00 0.00 H new ATOM 0 HE1 HIS A 5 7.784 1.653 -12.515 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.047 0.734 -14.771 1.00 0.00 H new ATOM 184 N THR A 6 2.830 -4.363 -12.050 1.00 0.00 N ATOM 185 CA THR A 6 2.232 -5.588 -11.530 1.00 0.00 C ATOM 186 C THR A 6 3.297 -6.652 -11.290 1.00 0.00 C ATOM 187 O THR A 6 4.016 -7.043 -12.211 1.00 0.00 O ATOM 188 CB THR A 6 1.175 -6.115 -12.501 1.00 0.00 C ATOM 189 OG1 THR A 6 0.685 -5.074 -13.326 1.00 0.00 O ATOM 190 CG2 THR A 6 -0.013 -6.749 -11.808 1.00 0.00 C ATOM 0 H THR A 6 3.138 -4.424 -13.021 1.00 0.00 H new ATOM 0 HA THR A 6 1.756 -5.356 -10.577 1.00 0.00 H new ATOM 0 HB THR A 6 1.682 -6.879 -13.090 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.011 -5.433 -13.941 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.724 -7.101 -12.555 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.325 -7.590 -11.203 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.496 -6.012 -11.166 1.00 0.00 H new ATOM 198 N VAL A 7 3.394 -7.119 -10.050 1.00 0.00 N ATOM 199 CA VAL A 7 4.373 -8.139 -9.691 1.00 0.00 C ATOM 200 C VAL A 7 3.699 -9.353 -9.061 1.00 0.00 C ATOM 201 O VAL A 7 2.731 -9.218 -8.313 1.00 0.00 O ATOM 202 CB VAL A 7 5.427 -7.585 -8.714 1.00 0.00 C ATOM 203 CG1 VAL A 7 6.548 -8.593 -8.507 1.00 0.00 C ATOM 204 CG2 VAL A 7 5.977 -6.260 -9.217 1.00 0.00 C ATOM 0 H VAL A 7 2.807 -6.808 -9.276 1.00 0.00 H new ATOM 0 HA VAL A 7 4.867 -8.442 -10.614 1.00 0.00 H new ATOM 0 HB VAL A 7 4.946 -7.410 -7.751 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.282 -8.183 -7.814 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.137 -9.515 -8.097 1.00 0.00 H new ATOM 0 HG13 VAL A 7 7.029 -8.804 -9.462 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.720 -5.884 -8.514 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.441 -6.406 -10.192 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.164 -5.539 -9.306 1.00 0.00 H new ATOM 214 N THR A 8 4.217 -10.538 -9.369 1.00 0.00 N ATOM 215 CA THR A 8 3.666 -11.777 -8.833 1.00 0.00 C ATOM 216 C THR A 8 4.474 -12.259 -7.631 1.00 0.00 C ATOM 217 O THR A 8 5.655 -12.581 -7.755 1.00 0.00 O ATOM 218 CB THR A 8 3.644 -12.859 -9.914 1.00 0.00 C ATOM 219 OG1 THR A 8 3.391 -12.292 -11.186 1.00 0.00 O ATOM 220 CG2 THR A 8 2.601 -13.928 -9.671 1.00 0.00 C ATOM 0 H THR A 8 5.018 -10.666 -9.987 1.00 0.00 H new ATOM 0 HA THR A 8 2.646 -11.579 -8.505 1.00 0.00 H new ATOM 0 HB THR A 8 4.630 -13.323 -9.878 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.383 -13.000 -11.864 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.640 -14.663 -10.475 1.00 0.00 H new ATOM 0 HG22 THR A 8 2.799 -14.420 -8.719 1.00 0.00 H new ATOM 0 HG23 THR A 8 1.612 -13.472 -9.644 1.00 0.00 H new ATOM 228 N LEU A 9 3.829 -12.306 -6.471 1.00 0.00 N ATOM 229 CA LEU A 9 4.489 -12.749 -5.247 1.00 0.00 C ATOM 230 C LEU A 9 4.020 -14.145 -4.852 1.00 0.00 C ATOM 231 O LEU A 9 2.854 -14.349 -4.516 1.00 0.00 O ATOM 232 CB LEU A 9 4.215 -11.765 -4.108 1.00 0.00 C ATOM 233 CG LEU A 9 4.302 -10.288 -4.493 1.00 0.00 C ATOM 234 CD1 LEU A 9 3.896 -9.406 -3.323 1.00 0.00 C ATOM 235 CD2 LEU A 9 5.708 -9.943 -4.961 1.00 0.00 C ATOM 0 H LEU A 9 2.851 -12.043 -6.352 1.00 0.00 H new ATOM 0 HA LEU A 9 5.562 -12.785 -5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.220 -11.963 -3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 9 4.925 -11.957 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 9 3.611 -10.105 -5.315 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.964 -8.358 -3.616 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.871 -9.636 -3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.562 -9.591 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.753 -8.888 -5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 9 6.418 -10.142 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.962 -10.551 -5.829 1.00 0.00 H new ATOM 247 N HIS A 10 4.938 -15.106 -4.893 1.00 0.00 N ATOM 248 CA HIS A 10 4.619 -16.484 -4.538 1.00 0.00 C ATOM 249 C HIS A 10 4.481 -16.636 -3.026 1.00 0.00 C ATOM 250 O HIS A 10 5.443 -16.443 -2.284 1.00 0.00 O ATOM 251 CB HIS A 10 5.698 -17.433 -5.062 1.00 0.00 C ATOM 252 CG HIS A 10 6.000 -17.251 -6.518 1.00 0.00 C ATOM 253 ND1 HIS A 10 5.163 -16.579 -7.383 1.00 0.00 N ATOM 254 CD2 HIS A 10 7.057 -17.658 -7.260 1.00 0.00 C ATOM 255 CE1 HIS A 10 5.690 -16.581 -8.594 1.00 0.00 C ATOM 256 NE2 HIS A 10 6.839 -17.229 -8.546 1.00 0.00 N ATOM 0 H HIS A 10 5.908 -14.955 -5.169 1.00 0.00 H new ATOM 0 HA HIS A 10 3.666 -16.741 -5.001 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.612 -17.283 -4.488 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.380 -18.461 -4.891 1.00 0.00 H new ATOM 0 HD2 HIS A 10 7.912 -18.216 -6.906 1.00 0.00 H new ATOM 0 HE1 HIS A 10 5.255 -16.130 -9.473 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.464 -17.386 -9.337 1.00 0.00 H new ATOM 265 N ARG A 11 3.279 -16.984 -2.577 1.00 0.00 N ATOM 266 CA ARG A 11 3.016 -17.161 -1.153 1.00 0.00 C ATOM 267 C ARG A 11 3.971 -18.181 -0.540 1.00 0.00 C ATOM 268 O ARG A 11 3.979 -19.349 -0.927 1.00 0.00 O ATOM 269 CB ARG A 11 1.569 -17.605 -0.930 1.00 0.00 C ATOM 270 CG ARG A 11 0.541 -16.586 -1.396 1.00 0.00 C ATOM 271 CD ARG A 11 -0.224 -15.985 -0.226 1.00 0.00 C ATOM 272 NE ARG A 11 -1.498 -16.666 0.003 1.00 0.00 N ATOM 273 CZ ARG A 11 -1.691 -17.598 0.936 1.00 0.00 C ATOM 274 NH1 ARG A 11 -0.700 -17.971 1.737 1.00 0.00 N ATOM 275 NH2 ARG A 11 -2.884 -18.160 1.068 1.00 0.00 N ATOM 0 H ARG A 11 2.472 -17.149 -3.179 1.00 0.00 H new ATOM 0 HA ARG A 11 3.176 -16.201 -0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.401 -18.545 -1.456 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.418 -17.802 0.131 1.00 0.00 H new ATOM 0 HG2 ARG A 11 1.041 -15.792 -1.951 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.159 -17.062 -2.082 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.386 -16.045 0.675 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.407 -14.928 -0.417 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.289 -16.412 -0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.221 -17.543 1.642 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.860 -18.685 2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.651 -17.879 0.457 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.036 -18.874 1.781 1.00 0.00 H new ATOM 289 N ALA A 12 4.774 -17.729 0.418 1.00 0.00 N ATOM 290 CA ALA A 12 5.733 -18.600 1.086 1.00 0.00 C ATOM 291 C ALA A 12 5.325 -18.853 2.536 1.00 0.00 C ATOM 292 O ALA A 12 4.559 -18.084 3.116 1.00 0.00 O ATOM 293 CB ALA A 12 7.128 -17.996 1.024 1.00 0.00 C ATOM 0 H ALA A 12 4.779 -16.764 0.749 1.00 0.00 H new ATOM 0 HA ALA A 12 5.742 -19.558 0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.834 -18.657 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.425 -17.873 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.126 -17.024 1.518 1.00 0.00 H new ATOM 299 N PRO A 13 5.837 -19.938 3.144 1.00 0.00 N ATOM 300 CA PRO A 13 5.523 -20.286 4.533 1.00 0.00 C ATOM 301 C PRO A 13 5.923 -19.185 5.508 1.00 0.00 C ATOM 302 O PRO A 13 6.896 -18.465 5.282 1.00 0.00 O ATOM 303 CB PRO A 13 6.346 -21.556 4.789 1.00 0.00 C ATOM 304 CG PRO A 13 7.384 -21.573 3.720 1.00 0.00 C ATOM 305 CD PRO A 13 6.761 -20.905 2.530 1.00 0.00 C ATOM 0 HA PRO A 13 4.452 -20.426 4.682 1.00 0.00 H new ATOM 0 HB2 PRO A 13 6.801 -21.537 5.779 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.719 -22.447 4.743 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.282 -21.044 4.039 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.683 -22.594 3.483 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.507 -20.412 1.907 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.236 -21.618 1.895 1.00 0.00 H new ATOM 313 N GLY A 14 5.166 -19.057 6.592 1.00 0.00 N ATOM 314 CA GLY A 14 5.455 -18.039 7.584 1.00 0.00 C ATOM 315 C GLY A 14 4.514 -16.855 7.487 1.00 0.00 C ATOM 316 O GLY A 14 4.154 -16.254 8.499 1.00 0.00 O ATOM 0 H GLY A 14 4.356 -19.641 6.801 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.384 -18.476 8.580 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.482 -17.695 7.459 1.00 0.00 H new ATOM 320 N PHE A 15 4.113 -16.522 6.265 1.00 0.00 N ATOM 321 CA PHE A 15 3.206 -15.404 6.034 1.00 0.00 C ATOM 322 C PHE A 15 2.462 -15.572 4.713 1.00 0.00 C ATOM 323 O PHE A 15 1.232 -15.570 4.677 1.00 0.00 O ATOM 324 CB PHE A 15 3.978 -14.083 6.038 1.00 0.00 C ATOM 325 CG PHE A 15 3.939 -13.369 7.360 1.00 0.00 C ATOM 326 CD1 PHE A 15 2.802 -12.682 7.757 1.00 0.00 C ATOM 327 CD2 PHE A 15 5.038 -13.385 8.203 1.00 0.00 C ATOM 328 CE1 PHE A 15 2.764 -12.024 8.972 1.00 0.00 C ATOM 329 CE2 PHE A 15 5.005 -12.729 9.419 1.00 0.00 C ATOM 330 CZ PHE A 15 3.866 -12.047 9.804 1.00 0.00 C ATOM 0 H PHE A 15 4.402 -17.011 5.418 1.00 0.00 H new ATOM 0 HA PHE A 15 2.474 -15.388 6.842 1.00 0.00 H new ATOM 0 HB2 PHE A 15 5.016 -14.278 5.770 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.567 -13.429 5.269 1.00 0.00 H new ATOM 0 HD1 PHE A 15 1.937 -12.661 7.110 1.00 0.00 H new ATOM 0 HD2 PHE A 15 5.931 -13.916 7.907 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.873 -11.492 9.271 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.868 -12.749 10.068 1.00 0.00 H new ATOM 0 HZ PHE A 15 3.838 -11.533 10.754 1.00 0.00 H new ATOM 340 N GLY A 16 3.218 -15.722 3.630 1.00 0.00 N ATOM 341 CA GLY A 16 2.613 -15.894 2.322 1.00 0.00 C ATOM 342 C GLY A 16 2.749 -14.662 1.449 1.00 0.00 C ATOM 343 O GLY A 16 3.721 -14.523 0.706 1.00 0.00 O ATOM 0 H GLY A 16 4.238 -15.728 3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.077 -16.743 1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.557 -16.134 2.443 1.00 0.00 H new ATOM 347 N PHE A 17 1.769 -13.768 1.534 1.00 0.00 N ATOM 348 CA PHE A 17 1.782 -12.541 0.740 1.00 0.00 C ATOM 349 C PHE A 17 3.020 -11.703 1.043 1.00 0.00 C ATOM 350 O PHE A 17 3.594 -11.084 0.148 1.00 0.00 O ATOM 351 CB PHE A 17 0.515 -11.712 0.993 1.00 0.00 C ATOM 352 CG PHE A 17 -0.041 -11.845 2.385 1.00 0.00 C ATOM 353 CD1 PHE A 17 0.624 -11.295 3.468 1.00 0.00 C ATOM 354 CD2 PHE A 17 -1.229 -12.524 2.606 1.00 0.00 C ATOM 355 CE1 PHE A 17 0.115 -11.419 4.747 1.00 0.00 C ATOM 356 CE2 PHE A 17 -1.743 -12.650 3.882 1.00 0.00 C ATOM 357 CZ PHE A 17 -1.070 -12.097 4.954 1.00 0.00 C ATOM 0 H PHE A 17 0.957 -13.868 2.143 1.00 0.00 H new ATOM 0 HA PHE A 17 1.808 -12.831 -0.311 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.737 -10.662 0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.251 -12.012 0.278 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.551 -10.763 3.311 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.759 -12.959 1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.643 -10.986 5.584 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.670 -13.180 4.041 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.470 -12.195 5.952 1.00 0.00 H new ATOM 367 N GLY A 18 3.432 -11.690 2.307 1.00 0.00 N ATOM 368 CA GLY A 18 4.604 -10.927 2.697 1.00 0.00 C ATOM 369 C GLY A 18 4.276 -9.503 3.111 1.00 0.00 C ATOM 370 O GLY A 18 5.049 -8.868 3.828 1.00 0.00 O ATOM 0 H GLY A 18 2.976 -12.194 3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.102 -11.434 3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.309 -10.904 1.866 1.00 0.00 H new ATOM 374 N ILE A 19 3.132 -8.998 2.658 1.00 0.00 N ATOM 375 CA ILE A 19 2.716 -7.639 2.988 1.00 0.00 C ATOM 376 C ILE A 19 1.339 -7.625 3.642 1.00 0.00 C ATOM 377 O ILE A 19 0.576 -8.583 3.526 1.00 0.00 O ATOM 378 CB ILE A 19 2.685 -6.742 1.736 1.00 0.00 C ATOM 379 CG1 ILE A 19 1.817 -7.378 0.646 1.00 0.00 C ATOM 380 CG2 ILE A 19 4.098 -6.495 1.223 1.00 0.00 C ATOM 381 CD1 ILE A 19 0.873 -6.401 -0.020 1.00 0.00 C ATOM 0 H ILE A 19 2.479 -9.508 2.063 1.00 0.00 H new ATOM 0 HA ILE A 19 3.451 -7.247 3.691 1.00 0.00 H new ATOM 0 HB ILE A 19 2.247 -5.781 2.007 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.465 -7.819 -0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.237 -8.191 1.083 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.058 -5.860 0.338 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.685 -6.002 1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.563 -7.447 0.966 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.290 -6.920 -0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.201 -5.978 0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.447 -5.600 -0.486 1.00 0.00 H new ATOM 393 N ALA A 20 1.027 -6.530 4.328 1.00 0.00 N ATOM 394 CA ALA A 20 -0.258 -6.390 5.000 1.00 0.00 C ATOM 395 C ALA A 20 -1.096 -5.291 4.357 1.00 0.00 C ATOM 396 O ALA A 20 -0.696 -4.128 4.329 1.00 0.00 O ATOM 397 CB ALA A 20 -0.051 -6.100 6.480 1.00 0.00 C ATOM 0 H ALA A 20 1.647 -5.727 4.433 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.798 -7.331 4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.019 -5.998 6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.502 -6.920 6.938 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.513 -5.174 6.594 1.00 0.00 H new ATOM 403 N ILE A 21 -2.260 -5.669 3.838 1.00 0.00 N ATOM 404 CA ILE A 21 -3.154 -4.716 3.194 1.00 0.00 C ATOM 405 C ILE A 21 -3.995 -3.968 4.223 1.00 0.00 C ATOM 406 O ILE A 21 -4.519 -4.564 5.163 1.00 0.00 O ATOM 407 CB ILE A 21 -4.092 -5.414 2.190 1.00 0.00 C ATOM 408 CG1 ILE A 21 -4.935 -6.476 2.898 1.00 0.00 C ATOM 409 CG2 ILE A 21 -3.288 -6.035 1.057 1.00 0.00 C ATOM 410 CD1 ILE A 21 -5.975 -7.117 2.004 1.00 0.00 C ATOM 0 H ILE A 21 -2.605 -6.629 3.851 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.525 -4.006 2.658 1.00 0.00 H new ATOM 0 HB ILE A 21 -4.764 -4.669 1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -4.275 -7.251 3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.434 -6.021 3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.965 -6.524 0.356 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -2.729 -5.256 0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.594 -6.770 1.464 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.535 -7.860 2.572 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.658 -6.352 1.634 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -5.482 -7.601 1.161 1.00 0.00 H new ATOM 422 N SER A 22 -4.120 -2.657 4.038 1.00 0.00 N ATOM 423 CA SER A 22 -4.899 -1.827 4.950 1.00 0.00 C ATOM 424 C SER A 22 -5.977 -1.056 4.197 1.00 0.00 C ATOM 425 O SER A 22 -5.717 -0.468 3.147 1.00 0.00 O ATOM 426 CB SER A 22 -3.983 -0.852 5.693 1.00 0.00 C ATOM 427 OG SER A 22 -4.419 -0.660 7.027 1.00 0.00 O ATOM 0 H SER A 22 -3.692 -2.147 3.265 1.00 0.00 H new ATOM 0 HA SER A 22 -5.385 -2.482 5.673 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.962 -1.234 5.692 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.965 0.105 5.171 1.00 0.00 H new ATOM 0 HG SER A 22 -3.817 -0.034 7.481 1.00 0.00 H new ATOM 433 N GLY A 23 -7.191 -1.065 4.741 1.00 0.00 N ATOM 434 CA GLY A 23 -8.294 -0.364 4.109 1.00 0.00 C ATOM 435 C GLY A 23 -9.601 -1.124 4.217 1.00 0.00 C ATOM 436 O GLY A 23 -9.771 -1.958 5.105 1.00 0.00 O ATOM 0 H GLY A 23 -7.430 -1.546 5.608 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.409 0.617 4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.060 -0.197 3.058 1.00 0.00 H new ATOM 440 N GLY A 24 -10.528 -0.834 3.310 1.00 0.00 N ATOM 441 CA GLY A 24 -11.815 -1.504 3.323 1.00 0.00 C ATOM 442 C GLY A 24 -12.962 -0.566 3.003 1.00 0.00 C ATOM 443 O GLY A 24 -13.235 0.372 3.753 1.00 0.00 O ATOM 0 H GLY A 24 -10.411 -0.146 2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.804 -2.319 2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.978 -1.951 4.304 1.00 0.00 H new ATOM 447 N ARG A 25 -13.633 -0.818 1.884 1.00 0.00 N ATOM 448 CA ARG A 25 -14.756 0.010 1.460 1.00 0.00 C ATOM 449 C ARG A 25 -15.973 -0.217 2.353 1.00 0.00 C ATOM 450 O ARG A 25 -16.728 0.713 2.636 1.00 0.00 O ATOM 451 CB ARG A 25 -15.115 -0.292 0.003 1.00 0.00 C ATOM 452 CG ARG A 25 -15.661 -1.695 -0.210 1.00 0.00 C ATOM 453 CD ARG A 25 -17.181 -1.712 -0.177 1.00 0.00 C ATOM 454 NE ARG A 25 -17.740 -2.654 -1.143 1.00 0.00 N ATOM 455 CZ ARG A 25 -19.015 -3.034 -1.155 1.00 0.00 C ATOM 456 NH1 ARG A 25 -19.868 -2.553 -0.257 1.00 0.00 N ATOM 457 NH2 ARG A 25 -19.442 -3.896 -2.069 1.00 0.00 N ATOM 0 H ARG A 25 -13.418 -1.590 1.253 1.00 0.00 H new ATOM 0 HA ARG A 25 -14.457 1.055 1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -15.854 0.433 -0.338 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -14.228 -0.158 -0.616 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -15.312 -2.081 -1.168 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -15.272 -2.359 0.562 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -17.519 -1.977 0.825 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -17.559 -0.711 -0.386 1.00 0.00 H new ATOM 0 HE ARG A 25 -17.116 -3.043 -1.850 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -19.547 -1.888 0.447 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -20.844 -2.848 -0.272 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -18.793 -4.267 -2.762 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -20.419 -4.187 -2.078 1.00 0.00 H new ATOM 471 N ASP A 26 -16.157 -1.458 2.791 1.00 0.00 N ATOM 472 CA ASP A 26 -17.284 -1.805 3.649 1.00 0.00 C ATOM 473 C ASP A 26 -16.870 -1.828 5.117 1.00 0.00 C ATOM 474 O ASP A 26 -17.365 -2.638 5.900 1.00 0.00 O ATOM 475 CB ASP A 26 -17.856 -3.167 3.248 1.00 0.00 C ATOM 476 CG ASP A 26 -19.370 -3.199 3.311 1.00 0.00 C ATOM 477 OD1 ASP A 26 -20.013 -2.739 2.343 1.00 0.00 O ATOM 478 OD2 ASP A 26 -19.912 -3.686 4.325 1.00 0.00 O ATOM 0 H ASP A 26 -15.541 -2.239 2.566 1.00 0.00 H new ATOM 0 HA ASP A 26 -18.051 -1.042 3.521 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -17.532 -3.410 2.236 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -17.451 -3.936 3.906 1.00 0.00 H new ATOM 483 N ASN A 27 -15.959 -0.932 5.485 1.00 0.00 N ATOM 484 CA ASN A 27 -15.481 -0.849 6.859 1.00 0.00 C ATOM 485 C ASN A 27 -16.396 0.039 7.700 1.00 0.00 C ATOM 486 O ASN A 27 -17.162 0.839 7.163 1.00 0.00 O ATOM 487 CB ASN A 27 -14.049 -0.307 6.891 1.00 0.00 C ATOM 488 CG ASN A 27 -13.040 -1.363 7.295 1.00 0.00 C ATOM 489 OD1 ASN A 27 -12.917 -2.402 6.646 1.00 0.00 O ATOM 490 ND2 ASN A 27 -12.310 -1.103 8.373 1.00 0.00 N ATOM 0 H ASN A 27 -15.538 -0.254 4.850 1.00 0.00 H new ATOM 0 HA ASN A 27 -15.490 -1.853 7.284 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -13.789 0.082 5.907 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -13.995 0.529 7.589 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.615 -1.777 8.693 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -12.445 -0.229 8.881 1.00 0.00 H new ATOM 497 N PRO A 28 -16.326 -0.088 9.036 1.00 0.00 N ATOM 498 CA PRO A 28 -17.152 0.709 9.949 1.00 0.00 C ATOM 499 C PRO A 28 -16.902 2.206 9.793 1.00 0.00 C ATOM 500 O PRO A 28 -17.766 3.026 10.106 1.00 0.00 O ATOM 501 CB PRO A 28 -16.720 0.236 11.344 1.00 0.00 C ATOM 502 CG PRO A 28 -15.399 -0.424 11.142 1.00 0.00 C ATOM 503 CD PRO A 28 -15.441 -1.012 9.762 1.00 0.00 C ATOM 0 HA PRO A 28 -18.216 0.572 9.755 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.640 1.074 12.036 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -17.446 -0.458 11.767 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.585 0.295 11.236 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -15.230 -1.197 11.891 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -14.449 -1.058 9.312 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -15.836 -2.028 9.768 1.00 0.00 H new ATOM 511 N HIS A 29 -15.716 2.557 9.304 1.00 0.00 N ATOM 512 CA HIS A 29 -15.354 3.954 9.105 1.00 0.00 C ATOM 513 C HIS A 29 -15.244 4.278 7.617 1.00 0.00 C ATOM 514 O HIS A 29 -14.769 3.462 6.827 1.00 0.00 O ATOM 515 CB HIS A 29 -14.030 4.265 9.809 1.00 0.00 C ATOM 516 CG HIS A 29 -14.092 5.473 10.691 1.00 0.00 C ATOM 517 ND1 HIS A 29 -15.007 5.613 11.714 1.00 0.00 N ATOM 518 CD2 HIS A 29 -13.345 6.602 10.701 1.00 0.00 C ATOM 519 CE1 HIS A 29 -14.819 6.775 12.313 1.00 0.00 C ATOM 520 NE2 HIS A 29 -13.817 7.394 11.719 1.00 0.00 N ATOM 0 H HIS A 29 -14.990 1.892 9.039 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.139 4.574 9.537 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -13.734 3.403 10.407 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -13.254 4.413 9.058 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -12.530 6.836 10.033 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -15.389 7.154 13.148 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.452 8.312 11.974 1.00 0.00 H new ATOM 529 N PHE A 30 -15.686 5.474 7.243 1.00 0.00 N ATOM 530 CA PHE A 30 -15.637 5.906 5.850 1.00 0.00 C ATOM 531 C PHE A 30 -14.923 7.248 5.720 1.00 0.00 C ATOM 532 O PHE A 30 -15.173 8.173 6.494 1.00 0.00 O ATOM 533 CB PHE A 30 -17.053 6.006 5.276 1.00 0.00 C ATOM 534 CG PHE A 30 -17.320 5.032 4.164 1.00 0.00 C ATOM 535 CD1 PHE A 30 -16.959 5.332 2.861 1.00 0.00 C ATOM 536 CD2 PHE A 30 -17.931 3.814 4.423 1.00 0.00 C ATOM 537 CE1 PHE A 30 -17.202 4.438 1.835 1.00 0.00 C ATOM 538 CE2 PHE A 30 -18.178 2.917 3.402 1.00 0.00 C ATOM 539 CZ PHE A 30 -17.813 3.229 2.107 1.00 0.00 C ATOM 0 H PHE A 30 -16.082 6.161 7.884 1.00 0.00 H new ATOM 0 HA PHE A 30 -15.075 5.163 5.284 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -17.773 5.838 6.076 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -17.216 7.019 4.908 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.482 6.276 2.644 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -18.217 3.564 5.434 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -16.915 4.684 0.823 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -18.656 1.973 3.616 1.00 0.00 H new ATOM 0 HZ PHE A 30 -18.005 2.529 1.308 1.00 0.00 H new ATOM 549 N GLN A 31 -14.033 7.347 4.738 1.00 0.00 N ATOM 550 CA GLN A 31 -13.283 8.575 4.506 1.00 0.00 C ATOM 551 C GLN A 31 -13.176 8.874 3.014 1.00 0.00 C ATOM 552 O GLN A 31 -12.856 7.993 2.215 1.00 0.00 O ATOM 553 CB GLN A 31 -11.885 8.466 5.118 1.00 0.00 C ATOM 554 CG GLN A 31 -11.891 8.317 6.630 1.00 0.00 C ATOM 555 CD GLN A 31 -11.608 9.622 7.346 1.00 0.00 C ATOM 556 OE1 GLN A 31 -10.577 10.257 7.118 1.00 0.00 O ATOM 557 NE2 GLN A 31 -12.522 10.031 8.218 1.00 0.00 N ATOM 0 H GLN A 31 -13.814 6.591 4.090 1.00 0.00 H new ATOM 0 HA GLN A 31 -13.819 9.395 4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.372 7.610 4.679 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.311 9.353 4.851 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.860 7.934 6.950 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.145 7.578 6.921 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.362 9.474 8.376 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.385 10.902 8.730 1.00 0.00 H new ATOM 566 N SER A 32 -13.446 10.121 2.645 1.00 0.00 N ATOM 567 CA SER A 32 -13.382 10.537 1.248 1.00 0.00 C ATOM 568 C SER A 32 -11.978 11.013 0.887 1.00 0.00 C ATOM 569 O SER A 32 -11.376 11.807 1.609 1.00 0.00 O ATOM 570 CB SER A 32 -14.396 11.649 0.978 1.00 0.00 C ATOM 571 OG SER A 32 -13.909 12.903 1.420 1.00 0.00 O ATOM 0 H SER A 32 -13.711 10.862 3.294 1.00 0.00 H new ATOM 0 HA SER A 32 -13.625 9.675 0.626 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.613 11.696 -0.089 1.00 0.00 H new ATOM 0 HB3 SER A 32 -15.334 11.421 1.485 1.00 0.00 H new ATOM 0 HG SER A 32 -14.576 13.597 1.234 1.00 0.00 H new ATOM 577 N GLY A 33 -11.464 10.524 -0.237 1.00 0.00 N ATOM 578 CA GLY A 33 -10.136 10.911 -0.674 1.00 0.00 C ATOM 579 C GLY A 33 -9.061 9.941 -0.217 1.00 0.00 C ATOM 580 O GLY A 33 -7.871 10.244 -0.294 1.00 0.00 O ATOM 0 H GLY A 33 -11.943 9.867 -0.852 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.121 10.977 -1.762 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.908 11.906 -0.291 1.00 0.00 H new ATOM 584 N GLU A 34 -9.480 8.772 0.260 1.00 0.00 N ATOM 585 CA GLU A 34 -8.543 7.760 0.731 1.00 0.00 C ATOM 586 C GLU A 34 -9.212 6.390 0.792 1.00 0.00 C ATOM 587 O GLU A 34 -9.051 5.651 1.763 1.00 0.00 O ATOM 588 CB GLU A 34 -8.003 8.139 2.110 1.00 0.00 C ATOM 589 CG GLU A 34 -9.089 8.353 3.151 1.00 0.00 C ATOM 590 CD GLU A 34 -8.548 8.914 4.451 1.00 0.00 C ATOM 591 OE1 GLU A 34 -8.398 10.149 4.549 1.00 0.00 O ATOM 592 OE2 GLU A 34 -8.275 8.115 5.373 1.00 0.00 O ATOM 0 H GLU A 34 -10.462 8.504 0.330 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.713 7.709 0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.330 7.354 2.455 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -7.412 9.050 2.021 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.841 9.033 2.751 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.589 7.405 3.349 1.00 0.00 H new ATOM 599 N THR A 35 -9.964 6.059 -0.252 1.00 0.00 N ATOM 600 CA THR A 35 -10.661 4.779 -0.320 1.00 0.00 C ATOM 601 C THR A 35 -9.780 3.694 -0.941 1.00 0.00 C ATOM 602 O THR A 35 -10.256 2.603 -1.251 1.00 0.00 O ATOM 603 CB THR A 35 -11.952 4.922 -1.127 1.00 0.00 C ATOM 604 OG1 THR A 35 -11.701 5.565 -2.364 1.00 0.00 O ATOM 605 CG2 THR A 35 -13.022 5.713 -0.406 1.00 0.00 C ATOM 0 H THR A 35 -10.107 6.660 -1.064 1.00 0.00 H new ATOM 0 HA THR A 35 -10.902 4.479 0.700 1.00 0.00 H new ATOM 0 HB THR A 35 -12.314 3.905 -1.278 1.00 0.00 H new ATOM 0 HG1 THR A 35 -12.538 5.646 -2.867 1.00 0.00 H new ATOM 0 HG21 THR A 35 -13.911 5.777 -1.033 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.273 5.215 0.531 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.653 6.717 -0.196 1.00 0.00 H new ATOM 613 N SER A 36 -8.496 3.997 -1.121 1.00 0.00 N ATOM 614 CA SER A 36 -7.563 3.040 -1.704 1.00 0.00 C ATOM 615 C SER A 36 -6.836 2.259 -0.615 1.00 0.00 C ATOM 616 O SER A 36 -6.440 2.820 0.407 1.00 0.00 O ATOM 617 CB SER A 36 -6.549 3.761 -2.592 1.00 0.00 C ATOM 618 OG SER A 36 -5.845 4.753 -1.864 1.00 0.00 O ATOM 0 H SER A 36 -8.081 4.895 -0.872 1.00 0.00 H new ATOM 0 HA SER A 36 -8.134 2.338 -2.312 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.844 3.039 -3.004 1.00 0.00 H new ATOM 0 HB3 SER A 36 -7.063 4.221 -3.436 1.00 0.00 H new ATOM 0 HG SER A 36 -4.945 4.857 -2.239 1.00 0.00 H new ATOM 624 N ILE A 37 -6.663 0.960 -0.839 1.00 0.00 N ATOM 625 CA ILE A 37 -5.984 0.103 0.125 1.00 0.00 C ATOM 626 C ILE A 37 -4.470 0.263 0.030 1.00 0.00 C ATOM 627 O ILE A 37 -3.900 0.230 -1.061 1.00 0.00 O ATOM 628 CB ILE A 37 -6.347 -1.380 -0.087 1.00 0.00 C ATOM 629 CG1 ILE A 37 -7.865 -1.548 -0.181 1.00 0.00 C ATOM 630 CG2 ILE A 37 -5.781 -2.229 1.042 1.00 0.00 C ATOM 631 CD1 ILE A 37 -8.303 -2.981 -0.390 1.00 0.00 C ATOM 0 H ILE A 37 -6.984 0.479 -1.679 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.319 0.413 1.115 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.906 -1.718 -1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -8.322 -1.167 0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -8.240 -0.939 -1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.045 -3.274 0.879 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -4.696 -2.128 1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.196 -1.894 1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -9.391 -3.024 -0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.875 -3.360 -1.318 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.959 -3.592 0.445 1.00 0.00 H new ATOM 643 N VAL A 38 -3.827 0.439 1.178 1.00 0.00 N ATOM 644 CA VAL A 38 -2.379 0.606 1.226 1.00 0.00 C ATOM 645 C VAL A 38 -1.731 -0.459 2.106 1.00 0.00 C ATOM 646 O VAL A 38 -2.396 -1.080 2.935 1.00 0.00 O ATOM 647 CB VAL A 38 -1.991 1.998 1.759 1.00 0.00 C ATOM 648 CG1 VAL A 38 -2.109 3.044 0.661 1.00 0.00 C ATOM 649 CG2 VAL A 38 -2.848 2.374 2.958 1.00 0.00 C ATOM 0 H VAL A 38 -4.285 0.470 2.089 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.016 0.501 0.204 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.951 1.962 2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.831 4.021 1.057 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.444 2.784 -0.162 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.137 3.078 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.557 3.361 3.318 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.898 2.390 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.705 1.641 3.752 1.00 0.00 H new ATOM 659 N ILE A 39 -0.432 -0.664 1.919 1.00 0.00 N ATOM 660 CA ILE A 39 0.304 -1.653 2.696 1.00 0.00 C ATOM 661 C ILE A 39 0.597 -1.140 4.103 1.00 0.00 C ATOM 662 O ILE A 39 1.401 -0.227 4.286 1.00 0.00 O ATOM 663 CB ILE A 39 1.632 -2.031 2.013 1.00 0.00 C ATOM 664 CG1 ILE A 39 1.396 -2.360 0.538 1.00 0.00 C ATOM 665 CG2 ILE A 39 2.279 -3.208 2.730 1.00 0.00 C ATOM 666 CD1 ILE A 39 1.717 -1.212 -0.395 1.00 0.00 C ATOM 0 H ILE A 39 0.132 -0.158 1.236 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.328 -2.539 2.759 1.00 0.00 H new ATOM 0 HB ILE A 39 2.310 -1.179 2.070 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.005 -3.222 0.264 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.354 -2.649 0.401 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.216 -3.464 2.236 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.477 -2.938 3.767 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.607 -4.066 2.700 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.527 -1.516 -1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.090 -0.356 -0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.766 -0.937 -0.286 1.00 0.00 H new ATOM 678 N SER A 40 -0.064 -1.733 5.093 1.00 0.00 N ATOM 679 CA SER A 40 0.125 -1.336 6.483 1.00 0.00 C ATOM 680 C SER A 40 1.575 -1.537 6.915 1.00 0.00 C ATOM 681 O SER A 40 2.260 -0.583 7.284 1.00 0.00 O ATOM 682 CB SER A 40 -0.808 -2.137 7.394 1.00 0.00 C ATOM 683 OG SER A 40 -1.365 -1.314 8.404 1.00 0.00 O ATOM 0 H SER A 40 -0.735 -2.490 4.958 1.00 0.00 H new ATOM 0 HA SER A 40 -0.116 -0.276 6.569 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.607 -2.581 6.801 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.257 -2.958 7.852 1.00 0.00 H new ATOM 0 HG SER A 40 -1.958 -1.849 8.971 1.00 0.00 H new ATOM 689 N ASP A 41 2.033 -2.783 6.867 1.00 0.00 N ATOM 690 CA ASP A 41 3.401 -3.108 7.255 1.00 0.00 C ATOM 691 C ASP A 41 3.861 -4.404 6.593 1.00 0.00 C ATOM 692 O ASP A 41 3.044 -5.254 6.237 1.00 0.00 O ATOM 693 CB ASP A 41 3.507 -3.234 8.776 1.00 0.00 C ATOM 694 CG ASP A 41 3.924 -1.935 9.436 1.00 0.00 C ATOM 695 OD1 ASP A 41 4.708 -1.181 8.820 1.00 0.00 O ATOM 696 OD2 ASP A 41 3.469 -1.671 10.568 1.00 0.00 O ATOM 0 H ASP A 41 1.478 -3.584 6.564 1.00 0.00 H new ATOM 0 HA ASP A 41 4.049 -2.299 6.919 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.545 -3.551 9.179 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.229 -4.012 9.024 1.00 0.00 H new ATOM 701 N VAL A 42 5.172 -4.547 6.429 1.00 0.00 N ATOM 702 CA VAL A 42 5.739 -5.739 5.809 1.00 0.00 C ATOM 703 C VAL A 42 6.735 -6.423 6.739 1.00 0.00 C ATOM 704 O VAL A 42 7.532 -5.765 7.406 1.00 0.00 O ATOM 705 CB VAL A 42 6.446 -5.400 4.483 1.00 0.00 C ATOM 706 CG1 VAL A 42 5.433 -4.974 3.432 1.00 0.00 C ATOM 707 CG2 VAL A 42 7.493 -4.317 4.696 1.00 0.00 C ATOM 0 H VAL A 42 5.861 -3.853 6.717 1.00 0.00 H new ATOM 0 HA VAL A 42 4.908 -6.415 5.609 1.00 0.00 H new ATOM 0 HB VAL A 42 6.953 -6.296 4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.951 -4.738 2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.726 -5.785 3.258 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.895 -4.093 3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.981 -4.092 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.013 -3.417 5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.236 -4.666 5.413 1.00 0.00 H new ATOM 717 N LEU A 43 6.682 -7.751 6.778 1.00 0.00 N ATOM 718 CA LEU A 43 7.579 -8.528 7.625 1.00 0.00 C ATOM 719 C LEU A 43 9.035 -8.324 7.216 1.00 0.00 C ATOM 720 O LEU A 43 9.946 -8.478 8.031 1.00 0.00 O ATOM 721 CB LEU A 43 7.225 -10.016 7.553 1.00 0.00 C ATOM 722 CG LEU A 43 6.878 -10.534 6.152 1.00 0.00 C ATOM 723 CD1 LEU A 43 7.777 -11.701 5.773 1.00 0.00 C ATOM 724 CD2 LEU A 43 5.413 -10.943 6.082 1.00 0.00 C ATOM 0 H LEU A 43 6.027 -8.311 6.233 1.00 0.00 H new ATOM 0 HA LEU A 43 7.456 -8.179 8.650 1.00 0.00 H new ATOM 0 HB2 LEU A 43 8.065 -10.593 7.939 1.00 0.00 H new ATOM 0 HB3 LEU A 43 6.379 -10.205 8.213 1.00 0.00 H new ATOM 0 HG LEU A 43 7.045 -9.728 5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.514 -12.054 4.776 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.817 -11.376 5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 43 7.644 -12.511 6.491 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.185 -11.308 5.081 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.220 -11.732 6.809 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.784 -10.082 6.307 1.00 0.00 H new ATOM 736 N LYS A 44 9.250 -7.977 5.950 1.00 0.00 N ATOM 737 CA LYS A 44 10.597 -7.754 5.435 1.00 0.00 C ATOM 738 C LYS A 44 11.400 -9.051 5.439 1.00 0.00 C ATOM 739 O LYS A 44 12.626 -9.034 5.560 1.00 0.00 O ATOM 740 CB LYS A 44 11.317 -6.686 6.265 1.00 0.00 C ATOM 741 CG LYS A 44 11.518 -5.375 5.524 1.00 0.00 C ATOM 742 CD LYS A 44 10.377 -4.406 5.784 1.00 0.00 C ATOM 743 CE LYS A 44 10.744 -3.386 6.849 1.00 0.00 C ATOM 744 NZ LYS A 44 9.756 -2.274 6.918 1.00 0.00 N ATOM 0 H LYS A 44 8.509 -7.844 5.262 1.00 0.00 H new ATOM 0 HA LYS A 44 10.513 -7.403 4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.745 -6.497 7.173 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.288 -7.072 6.575 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.459 -4.921 5.834 1.00 0.00 H new ATOM 0 HG3 LYS A 44 11.595 -5.569 4.454 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.118 -3.891 4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.492 -4.960 6.099 1.00 0.00 H new ATOM 0 HE2 LYS A 44 10.803 -3.880 7.819 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.733 -2.980 6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 10.043 -1.600 7.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.718 -1.786 6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.817 -2.658 7.146 1.00 0.00 H new ATOM 758 N GLY A 45 10.703 -10.175 5.305 1.00 0.00 N ATOM 759 CA GLY A 45 11.370 -11.465 5.295 1.00 0.00 C ATOM 760 C GLY A 45 10.769 -12.428 4.287 1.00 0.00 C ATOM 761 O GLY A 45 11.063 -13.623 4.312 1.00 0.00 O ATOM 0 H GLY A 45 9.689 -10.216 5.203 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.427 -11.321 5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.314 -11.906 6.290 1.00 0.00 H new ATOM 765 N GLY A 46 9.925 -11.911 3.397 1.00 0.00 N ATOM 766 CA GLY A 46 9.300 -12.751 2.393 1.00 0.00 C ATOM 767 C GLY A 46 9.408 -12.164 0.998 1.00 0.00 C ATOM 768 O GLY A 46 10.110 -11.173 0.793 1.00 0.00 O ATOM 0 H GLY A 46 9.664 -10.926 3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 46 9.766 -13.736 2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.249 -12.892 2.644 1.00 0.00 H new ATOM 772 N PRO A 47 8.719 -12.758 0.009 1.00 0.00 N ATOM 773 CA PRO A 47 8.750 -12.274 -1.375 1.00 0.00 C ATOM 774 C PRO A 47 8.420 -10.789 -1.478 1.00 0.00 C ATOM 775 O PRO A 47 8.889 -10.101 -2.384 1.00 0.00 O ATOM 776 CB PRO A 47 7.673 -13.110 -2.069 1.00 0.00 C ATOM 777 CG PRO A 47 7.574 -14.353 -1.256 1.00 0.00 C ATOM 778 CD PRO A 47 7.857 -13.944 0.163 1.00 0.00 C ATOM 0 HA PRO A 47 9.740 -12.376 -1.819 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.721 -12.581 -2.100 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.948 -13.332 -3.100 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.583 -14.798 -1.343 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.291 -15.100 -1.597 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.941 -13.708 0.704 1.00 0.00 H new ATOM 0 HD3 PRO A 47 8.359 -14.737 0.718 1.00 0.00 H new ATOM 786 N ALA A 48 7.609 -10.301 -0.545 1.00 0.00 N ATOM 787 CA ALA A 48 7.218 -8.897 -0.534 1.00 0.00 C ATOM 788 C ALA A 48 7.975 -8.119 0.539 1.00 0.00 C ATOM 789 O ALA A 48 7.501 -7.092 1.025 1.00 0.00 O ATOM 790 CB ALA A 48 5.717 -8.772 -0.318 1.00 0.00 C ATOM 0 H ALA A 48 7.211 -10.857 0.212 1.00 0.00 H new ATOM 0 HA ALA A 48 7.475 -8.467 -1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.437 -7.719 -0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.190 -9.283 -1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.448 -9.225 0.636 1.00 0.00 H new ATOM 796 N GLU A 49 9.154 -8.613 0.905 1.00 0.00 N ATOM 797 CA GLU A 49 9.974 -7.961 1.919 1.00 0.00 C ATOM 798 C GLU A 49 10.317 -6.533 1.507 1.00 0.00 C ATOM 799 O GLU A 49 10.254 -5.610 2.319 1.00 0.00 O ATOM 800 CB GLU A 49 11.259 -8.757 2.156 1.00 0.00 C ATOM 801 CG GLU A 49 12.128 -8.893 0.916 1.00 0.00 C ATOM 802 CD GLU A 49 13.173 -9.983 1.054 1.00 0.00 C ATOM 803 OE1 GLU A 49 12.809 -11.107 1.458 1.00 0.00 O ATOM 804 OE2 GLU A 49 14.355 -9.712 0.757 1.00 0.00 O ATOM 0 H GLU A 49 9.562 -9.462 0.514 1.00 0.00 H new ATOM 0 HA GLU A 49 9.400 -7.925 2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.837 -8.272 2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.999 -9.752 2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.495 -9.108 0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.623 -7.943 0.718 1.00 0.00 H new ATOM 811 N GLY A 50 10.681 -6.359 0.242 1.00 0.00 N ATOM 812 CA GLY A 50 11.030 -5.042 -0.255 1.00 0.00 C ATOM 813 C GLY A 50 10.472 -4.776 -1.639 1.00 0.00 C ATOM 814 O GLY A 50 11.209 -4.400 -2.551 1.00 0.00 O ATOM 0 H GLY A 50 10.741 -7.107 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 50 10.656 -4.286 0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 50 12.115 -4.942 -0.279 1.00 0.00 H new ATOM 818 N GLN A 51 9.166 -4.972 -1.797 1.00 0.00 N ATOM 819 CA GLN A 51 8.510 -4.750 -3.080 1.00 0.00 C ATOM 820 C GLN A 51 7.266 -3.883 -2.912 1.00 0.00 C ATOM 821 O GLN A 51 7.051 -2.937 -3.668 1.00 0.00 O ATOM 822 CB GLN A 51 8.131 -6.088 -3.721 1.00 0.00 C ATOM 823 CG GLN A 51 9.331 -6.924 -4.137 1.00 0.00 C ATOM 824 CD GLN A 51 9.286 -7.326 -5.599 1.00 0.00 C ATOM 825 OE1 GLN A 51 8.548 -6.743 -6.394 1.00 0.00 O ATOM 826 NE2 GLN A 51 10.077 -8.330 -5.960 1.00 0.00 N ATOM 0 H GLN A 51 8.542 -5.284 -1.053 1.00 0.00 H new ATOM 0 HA GLN A 51 9.210 -4.228 -3.732 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.526 -6.660 -3.018 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.509 -5.899 -4.596 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.245 -6.360 -3.947 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.376 -7.821 -3.519 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.672 -8.784 -5.268 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.089 -8.647 -6.930 1.00 0.00 H new ATOM 835 N LEU A 52 6.452 -4.214 -1.915 1.00 0.00 N ATOM 836 CA LEU A 52 5.230 -3.464 -1.646 1.00 0.00 C ATOM 837 C LEU A 52 5.317 -2.744 -0.303 1.00 0.00 C ATOM 838 O LEU A 52 5.489 -3.373 0.740 1.00 0.00 O ATOM 839 CB LEU A 52 4.020 -4.400 -1.657 1.00 0.00 C ATOM 840 CG LEU A 52 3.931 -5.330 -2.867 1.00 0.00 C ATOM 841 CD1 LEU A 52 2.673 -6.182 -2.795 1.00 0.00 C ATOM 842 CD2 LEU A 52 3.958 -4.525 -4.157 1.00 0.00 C ATOM 0 H LEU A 52 6.616 -4.996 -1.281 1.00 0.00 H new ATOM 0 HA LEU A 52 5.112 -2.718 -2.431 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.042 -5.007 -0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.113 -3.797 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 52 4.795 -5.994 -2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.627 -6.837 -3.665 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.693 -6.785 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.796 -5.535 -2.782 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.894 -5.201 -5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.112 -3.838 -4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.887 -3.958 -4.213 1.00 0.00 H new ATOM 854 N GLN A 53 5.200 -1.420 -0.339 1.00 0.00 N ATOM 855 CA GLN A 53 5.265 -0.613 0.875 1.00 0.00 C ATOM 856 C GLN A 53 4.444 0.663 0.722 1.00 0.00 C ATOM 857 O GLN A 53 3.931 0.958 -0.358 1.00 0.00 O ATOM 858 CB GLN A 53 6.718 -0.263 1.203 1.00 0.00 C ATOM 859 CG GLN A 53 7.383 0.621 0.160 1.00 0.00 C ATOM 860 CD GLN A 53 8.756 0.118 -0.242 1.00 0.00 C ATOM 861 OE1 GLN A 53 9.000 -0.192 -1.408 1.00 0.00 O ATOM 862 NE2 GLN A 53 9.662 0.034 0.726 1.00 0.00 N ATOM 0 H GLN A 53 5.060 -0.883 -1.195 1.00 0.00 H new ATOM 0 HA GLN A 53 4.847 -1.198 1.694 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.752 0.241 2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.291 -1.185 1.304 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.747 0.675 -0.724 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.472 1.634 0.551 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.416 0.302 1.679 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.603 -0.298 0.516 1.00 0.00 H new ATOM 871 N GLU A 54 4.321 1.417 1.811 1.00 0.00 N ATOM 872 CA GLU A 54 3.560 2.663 1.801 1.00 0.00 C ATOM 873 C GLU A 54 3.989 3.559 0.642 1.00 0.00 C ATOM 874 O GLU A 54 3.191 4.339 0.120 1.00 0.00 O ATOM 875 CB GLU A 54 3.742 3.406 3.126 1.00 0.00 C ATOM 876 CG GLU A 54 3.222 2.638 4.331 1.00 0.00 C ATOM 877 CD GLU A 54 3.514 3.343 5.641 1.00 0.00 C ATOM 878 OE1 GLU A 54 4.585 3.974 5.750 1.00 0.00 O ATOM 879 OE2 GLU A 54 2.668 3.265 6.558 1.00 0.00 O ATOM 0 H GLU A 54 4.739 1.187 2.712 1.00 0.00 H new ATOM 0 HA GLU A 54 2.507 2.412 1.671 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.801 3.619 3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.229 4.366 3.068 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.146 2.497 4.231 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.674 1.646 4.348 1.00 0.00 H new ATOM 886 N ASN A 55 5.251 3.440 0.242 1.00 0.00 N ATOM 887 CA ASN A 55 5.782 4.236 -0.857 1.00 0.00 C ATOM 888 C ASN A 55 5.065 3.908 -2.164 1.00 0.00 C ATOM 889 O ASN A 55 4.969 4.748 -3.058 1.00 0.00 O ATOM 890 CB ASN A 55 7.285 3.992 -1.010 1.00 0.00 C ATOM 891 CG ASN A 55 8.044 5.260 -1.348 1.00 0.00 C ATOM 892 OD1 ASN A 55 8.414 5.487 -2.500 1.00 0.00 O ATOM 893 ND2 ASN A 55 8.281 6.094 -0.343 1.00 0.00 N ATOM 0 H ASN A 55 5.924 2.800 0.663 1.00 0.00 H new ATOM 0 HA ASN A 55 5.613 5.288 -0.626 1.00 0.00 H new ATOM 0 HB2 ASN A 55 7.678 3.572 -0.084 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.453 3.252 -1.792 1.00 0.00 H new ATOM 0 HD21 ASN A 55 8.788 6.963 -0.510 1.00 0.00 H new ATOM 0 HD22 ASN A 55 7.956 5.866 0.597 1.00 0.00 H new ATOM 900 N ASP A 56 4.562 2.681 -2.266 1.00 0.00 N ATOM 901 CA ASP A 56 3.852 2.242 -3.461 1.00 0.00 C ATOM 902 C ASP A 56 2.358 2.117 -3.187 1.00 0.00 C ATOM 903 O ASP A 56 1.938 1.366 -2.306 1.00 0.00 O ATOM 904 CB ASP A 56 4.407 0.901 -3.946 1.00 0.00 C ATOM 905 CG ASP A 56 5.923 0.885 -4.003 1.00 0.00 C ATOM 906 OD1 ASP A 56 6.533 1.969 -3.886 1.00 0.00 O ATOM 907 OD2 ASP A 56 6.499 -0.211 -4.164 1.00 0.00 O ATOM 0 H ASP A 56 4.634 1.974 -1.535 1.00 0.00 H new ATOM 0 HA ASP A 56 4.001 2.991 -4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.063 0.108 -3.282 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.007 0.683 -4.936 1.00 0.00 H new ATOM 912 N ARG A 57 1.559 2.857 -3.948 1.00 0.00 N ATOM 913 CA ARG A 57 0.109 2.829 -3.787 1.00 0.00 C ATOM 914 C ARG A 57 -0.497 1.645 -4.532 1.00 0.00 C ATOM 915 O ARG A 57 -0.252 1.456 -5.723 1.00 0.00 O ATOM 916 CB ARG A 57 -0.506 4.136 -4.293 1.00 0.00 C ATOM 917 CG ARG A 57 -0.635 5.204 -3.218 1.00 0.00 C ATOM 918 CD ARG A 57 -2.079 5.647 -3.037 1.00 0.00 C ATOM 919 NE ARG A 57 -2.563 6.419 -4.178 1.00 0.00 N ATOM 920 CZ ARG A 57 -3.661 7.173 -4.152 1.00 0.00 C ATOM 921 NH1 ARG A 57 -4.390 7.258 -3.047 1.00 0.00 N ATOM 922 NH2 ARG A 57 -4.029 7.844 -5.235 1.00 0.00 N ATOM 0 H ARG A 57 1.890 3.483 -4.682 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.113 2.719 -2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.105 4.524 -5.108 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.493 3.927 -4.707 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.251 4.818 -2.274 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.021 6.064 -3.484 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -2.712 4.771 -2.898 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.163 6.248 -2.131 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.029 6.379 -5.046 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.111 6.744 -2.211 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.230 7.837 -3.033 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.472 7.783 -6.087 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -4.870 8.422 -5.216 1.00 0.00 H new ATOM 936 N VAL A 58 -1.291 0.847 -3.822 1.00 0.00 N ATOM 937 CA VAL A 58 -1.932 -0.319 -4.418 1.00 0.00 C ATOM 938 C VAL A 58 -3.196 0.075 -5.173 1.00 0.00 C ATOM 939 O VAL A 58 -3.971 0.914 -4.711 1.00 0.00 O ATOM 940 CB VAL A 58 -2.292 -1.371 -3.352 1.00 0.00 C ATOM 941 CG1 VAL A 58 -2.746 -2.664 -4.009 1.00 0.00 C ATOM 942 CG2 VAL A 58 -1.109 -1.622 -2.428 1.00 0.00 C ATOM 0 H VAL A 58 -1.505 0.987 -2.835 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.214 -0.751 -5.115 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.117 -0.986 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.996 -3.395 -3.240 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.624 -2.470 -4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.944 -3.056 -4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -1.382 -2.368 -1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.263 -1.985 -3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.834 -0.693 -1.929 1.00 0.00 H new ATOM 952 N ALA A 59 -3.400 -0.534 -6.337 1.00 0.00 N ATOM 953 CA ALA A 59 -4.571 -0.244 -7.157 1.00 0.00 C ATOM 954 C ALA A 59 -5.399 -1.501 -7.400 1.00 0.00 C ATOM 955 O ALA A 59 -6.627 -1.471 -7.325 1.00 0.00 O ATOM 956 CB ALA A 59 -4.146 0.375 -8.479 1.00 0.00 C ATOM 0 H ALA A 59 -2.770 -1.231 -6.733 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.195 0.469 -6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.029 0.587 -9.082 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.605 1.302 -8.289 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.499 -0.320 -9.015 1.00 0.00 H new ATOM 962 N MET A 60 -4.721 -2.606 -7.699 1.00 0.00 N ATOM 963 CA MET A 60 -5.400 -3.871 -7.957 1.00 0.00 C ATOM 964 C MET A 60 -4.558 -5.051 -7.479 1.00 0.00 C ATOM 965 O MET A 60 -3.330 -4.972 -7.432 1.00 0.00 O ATOM 966 CB MET A 60 -5.700 -4.016 -9.449 1.00 0.00 C ATOM 967 CG MET A 60 -6.759 -5.061 -9.759 1.00 0.00 C ATOM 968 SD MET A 60 -6.873 -5.436 -11.519 1.00 0.00 S ATOM 969 CE MET A 60 -5.291 -6.227 -11.800 1.00 0.00 C ATOM 0 H MET A 60 -3.704 -2.650 -7.768 1.00 0.00 H new ATOM 0 HA MET A 60 -6.338 -3.870 -7.402 1.00 0.00 H new ATOM 0 HB2 MET A 60 -6.027 -3.053 -9.840 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.780 -4.277 -9.972 1.00 0.00 H new ATOM 0 HG2 MET A 60 -6.532 -5.976 -9.211 1.00 0.00 H new ATOM 0 HG3 MET A 60 -7.727 -4.708 -9.404 1.00 0.00 H new ATOM 0 HE1 MET A 60 -5.391 -6.969 -12.592 1.00 0.00 H new ATOM 0 HE2 MET A 60 -4.557 -5.478 -12.096 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.961 -6.716 -10.884 1.00 0.00 H new ATOM 979 N VAL A 61 -5.227 -6.144 -7.128 1.00 0.00 N ATOM 980 CA VAL A 61 -4.544 -7.341 -6.654 1.00 0.00 C ATOM 981 C VAL A 61 -5.224 -8.604 -7.177 1.00 0.00 C ATOM 982 O VAL A 61 -6.409 -8.827 -6.939 1.00 0.00 O ATOM 983 CB VAL A 61 -4.496 -7.392 -5.114 1.00 0.00 C ATOM 984 CG1 VAL A 61 -3.715 -8.607 -4.638 1.00 0.00 C ATOM 985 CG2 VAL A 61 -3.891 -6.112 -4.560 1.00 0.00 C ATOM 0 H VAL A 61 -6.243 -6.225 -7.163 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.524 -7.296 -7.036 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.516 -7.480 -4.741 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.694 -8.622 -3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.195 -9.514 -5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.695 -8.556 -5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.864 -6.164 -3.472 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.877 -5.993 -4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -4.497 -5.260 -4.868 1.00 0.00 H new ATOM 995 N ASN A 62 -4.463 -9.425 -7.890 1.00 0.00 N ATOM 996 CA ASN A 62 -4.987 -10.668 -8.447 1.00 0.00 C ATOM 997 C ASN A 62 -6.238 -10.418 -9.287 1.00 0.00 C ATOM 998 O ASN A 62 -7.124 -11.269 -9.364 1.00 0.00 O ATOM 999 CB ASN A 62 -5.304 -11.659 -7.327 1.00 0.00 C ATOM 1000 CG ASN A 62 -5.078 -13.098 -7.748 1.00 0.00 C ATOM 1001 OD1 ASN A 62 -5.935 -13.713 -8.383 1.00 0.00 O ATOM 1002 ND2 ASN A 62 -3.920 -13.644 -7.394 1.00 0.00 N ATOM 0 H ASN A 62 -3.479 -9.253 -8.097 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.220 -11.090 -9.096 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.682 -11.435 -6.460 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.341 -11.533 -7.016 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.713 -14.610 -7.648 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.238 -13.097 -6.868 1.00 0.00 H new ATOM 1009 N GLY A 63 -6.298 -9.254 -9.926 1.00 0.00 N ATOM 1010 CA GLY A 63 -7.437 -8.926 -10.764 1.00 0.00 C ATOM 1011 C GLY A 63 -8.470 -8.060 -10.065 1.00 0.00 C ATOM 1012 O GLY A 63 -9.217 -7.333 -10.721 1.00 0.00 O ATOM 0 H GLY A 63 -5.579 -8.532 -9.879 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.085 -8.410 -11.657 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.912 -9.849 -11.096 1.00 0.00 H new ATOM 1016 N VAL A 64 -8.527 -8.139 -8.740 1.00 0.00 N ATOM 1017 CA VAL A 64 -9.492 -7.354 -7.979 1.00 0.00 C ATOM 1018 C VAL A 64 -8.963 -5.955 -7.676 1.00 0.00 C ATOM 1019 O VAL A 64 -7.795 -5.779 -7.328 1.00 0.00 O ATOM 1020 CB VAL A 64 -9.884 -8.055 -6.660 1.00 0.00 C ATOM 1021 CG1 VAL A 64 -8.702 -8.140 -5.704 1.00 0.00 C ATOM 1022 CG2 VAL A 64 -11.058 -7.340 -6.007 1.00 0.00 C ATOM 0 H VAL A 64 -7.922 -8.734 -8.174 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.381 -7.265 -8.604 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.188 -9.074 -6.898 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.012 -8.639 -4.786 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -7.897 -8.707 -6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -8.350 -7.135 -5.470 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.322 -7.847 -5.079 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.781 -6.308 -5.791 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.913 -7.353 -6.683 1.00 0.00 H new ATOM 1032 N SER A 65 -9.832 -4.958 -7.817 1.00 0.00 N ATOM 1033 CA SER A 65 -9.456 -3.572 -7.563 1.00 0.00 C ATOM 1034 C SER A 65 -9.401 -3.291 -6.064 1.00 0.00 C ATOM 1035 O SER A 65 -10.211 -3.809 -5.296 1.00 0.00 O ATOM 1036 CB SER A 65 -10.448 -2.621 -8.235 1.00 0.00 C ATOM 1037 OG SER A 65 -11.645 -2.520 -7.486 1.00 0.00 O ATOM 0 H SER A 65 -10.802 -5.085 -8.106 1.00 0.00 H new ATOM 0 HA SER A 65 -8.464 -3.407 -7.983 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.997 -1.634 -8.340 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.673 -2.977 -9.240 1.00 0.00 H new ATOM 0 HG SER A 65 -12.318 -2.037 -8.009 1.00 0.00 H new ATOM 1043 N MET A 66 -8.441 -2.468 -5.656 1.00 0.00 N ATOM 1044 CA MET A 66 -8.283 -2.120 -4.248 1.00 0.00 C ATOM 1045 C MET A 66 -8.656 -0.662 -4.001 1.00 0.00 C ATOM 1046 O MET A 66 -8.131 -0.022 -3.088 1.00 0.00 O ATOM 1047 CB MET A 66 -6.844 -2.375 -3.796 1.00 0.00 C ATOM 1048 CG MET A 66 -6.578 -3.820 -3.411 1.00 0.00 C ATOM 1049 SD MET A 66 -5.204 -3.990 -2.257 1.00 0.00 S ATOM 1050 CE MET A 66 -5.560 -5.592 -1.540 1.00 0.00 C ATOM 0 H MET A 66 -7.762 -2.030 -6.278 1.00 0.00 H new ATOM 0 HA MET A 66 -8.956 -2.751 -3.667 1.00 0.00 H new ATOM 0 HB2 MET A 66 -6.163 -2.090 -4.598 1.00 0.00 H new ATOM 0 HB3 MET A 66 -6.620 -1.733 -2.944 1.00 0.00 H new ATOM 0 HG2 MET A 66 -7.477 -4.244 -2.964 1.00 0.00 H new ATOM 0 HG3 MET A 66 -6.366 -4.398 -4.310 1.00 0.00 H new ATOM 0 HE1 MET A 66 -5.973 -5.459 -0.540 1.00 0.00 H new ATOM 0 HE2 MET A 66 -6.283 -6.118 -2.164 1.00 0.00 H new ATOM 0 HE3 MET A 66 -4.641 -6.175 -1.479 1.00 0.00 H new ATOM 1060 N ASP A 67 -9.568 -0.141 -4.816 1.00 0.00 N ATOM 1061 CA ASP A 67 -10.013 1.242 -4.683 1.00 0.00 C ATOM 1062 C ASP A 67 -11.473 1.311 -4.234 1.00 0.00 C ATOM 1063 O ASP A 67 -12.086 2.378 -4.254 1.00 0.00 O ATOM 1064 CB ASP A 67 -9.843 1.983 -6.010 1.00 0.00 C ATOM 1065 CG ASP A 67 -8.398 2.351 -6.284 1.00 0.00 C ATOM 1066 OD1 ASP A 67 -7.551 1.436 -6.338 1.00 0.00 O ATOM 1067 OD2 ASP A 67 -8.113 3.558 -6.444 1.00 0.00 O ATOM 0 H ASP A 67 -10.013 -0.656 -5.576 1.00 0.00 H new ATOM 0 HA ASP A 67 -9.397 1.721 -3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.217 1.359 -6.822 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.450 2.888 -5.998 1.00 0.00 H new ATOM 1072 N ASN A 68 -12.023 0.169 -3.826 1.00 0.00 N ATOM 1073 CA ASN A 68 -13.409 0.105 -3.373 1.00 0.00 C ATOM 1074 C ASN A 68 -13.774 -1.317 -2.955 1.00 0.00 C ATOM 1075 O ASN A 68 -14.825 -1.835 -3.334 1.00 0.00 O ATOM 1076 CB ASN A 68 -14.355 0.588 -4.475 1.00 0.00 C ATOM 1077 CG ASN A 68 -14.210 -0.215 -5.754 1.00 0.00 C ATOM 1078 OD1 ASN A 68 -14.863 -1.244 -5.931 1.00 0.00 O ATOM 1079 ND2 ASN A 68 -13.352 0.254 -6.652 1.00 0.00 N ATOM 0 H ASN A 68 -11.530 -0.723 -3.800 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.515 0.759 -2.508 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -15.384 0.521 -4.122 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -14.158 1.639 -4.685 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.212 -0.243 -7.532 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.833 1.111 -6.462 1.00 0.00 H new ATOM 1086 N VAL A 69 -12.900 -1.942 -2.173 1.00 0.00 N ATOM 1087 CA VAL A 69 -13.129 -3.303 -1.704 1.00 0.00 C ATOM 1088 C VAL A 69 -12.834 -3.426 -0.212 1.00 0.00 C ATOM 1089 O VAL A 69 -12.022 -2.681 0.334 1.00 0.00 O ATOM 1090 CB VAL A 69 -12.260 -4.316 -2.471 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -12.756 -4.473 -3.900 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -10.799 -3.894 -2.448 1.00 0.00 C ATOM 0 H VAL A 69 -12.026 -1.527 -1.851 1.00 0.00 H new ATOM 0 HA VAL A 69 -14.180 -3.527 -1.885 1.00 0.00 H new ATOM 0 HB VAL A 69 -12.341 -5.283 -1.975 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.129 -5.193 -4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -13.787 -4.828 -3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -12.709 -3.511 -4.409 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -10.201 -4.623 -2.995 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -10.696 -2.915 -2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -10.452 -3.841 -1.416 1.00 0.00 H new ATOM 1102 N GLU A 70 -13.503 -4.370 0.441 1.00 0.00 N ATOM 1103 CA GLU A 70 -13.316 -4.592 1.872 1.00 0.00 C ATOM 1104 C GLU A 70 -12.025 -5.359 2.140 1.00 0.00 C ATOM 1105 O GLU A 70 -11.551 -6.112 1.290 1.00 0.00 O ATOM 1106 CB GLU A 70 -14.508 -5.357 2.449 1.00 0.00 C ATOM 1107 CG GLU A 70 -14.978 -4.826 3.794 1.00 0.00 C ATOM 1108 CD GLU A 70 -15.914 -5.784 4.504 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -16.673 -6.494 3.812 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -15.888 -5.823 5.752 1.00 0.00 O ATOM 0 H GLU A 70 -14.180 -4.994 0.003 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.246 -3.620 2.360 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.335 -5.312 1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.237 -6.407 2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.112 -4.634 4.427 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -15.484 -3.872 3.647 1.00 0.00 H new ATOM 1117 N HIS A 71 -11.461 -5.164 3.329 1.00 0.00 N ATOM 1118 CA HIS A 71 -10.227 -5.840 3.710 1.00 0.00 C ATOM 1119 C HIS A 71 -10.376 -7.353 3.577 1.00 0.00 C ATOM 1120 O HIS A 71 -9.514 -8.024 3.010 1.00 0.00 O ATOM 1121 CB HIS A 71 -9.839 -5.475 5.146 1.00 0.00 C ATOM 1122 CG HIS A 71 -10.822 -5.948 6.172 1.00 0.00 C ATOM 1123 ND1 HIS A 71 -10.514 -6.889 7.131 1.00 0.00 N ATOM 1124 CD2 HIS A 71 -12.114 -5.604 6.387 1.00 0.00 C ATOM 1125 CE1 HIS A 71 -11.574 -7.105 7.891 1.00 0.00 C ATOM 1126 NE2 HIS A 71 -12.558 -6.336 7.460 1.00 0.00 N ATOM 0 H HIS A 71 -11.840 -4.543 4.044 1.00 0.00 H new ATOM 0 HA HIS A 71 -9.437 -5.509 3.036 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -8.861 -5.901 5.369 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -9.740 -4.392 5.222 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -12.688 -4.887 5.820 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -11.627 -7.793 8.722 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -13.495 -6.293 7.860 1.00 0.00 H new ATOM 1135 N ALA A 72 -11.478 -7.881 4.098 1.00 0.00 N ATOM 1136 CA ALA A 72 -11.744 -9.313 4.031 1.00 0.00 C ATOM 1137 C ALA A 72 -11.836 -9.780 2.582 1.00 0.00 C ATOM 1138 O ALA A 72 -11.340 -10.852 2.231 1.00 0.00 O ATOM 1139 CB ALA A 72 -13.026 -9.648 4.778 1.00 0.00 C ATOM 0 H ALA A 72 -12.201 -7.339 4.571 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.915 -9.837 4.506 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.212 -10.720 4.719 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.926 -9.354 5.823 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -13.860 -9.110 4.328 1.00 0.00 H new ATOM 1145 N PHE A 73 -12.468 -8.967 1.744 1.00 0.00 N ATOM 1146 CA PHE A 73 -12.622 -9.292 0.332 1.00 0.00 C ATOM 1147 C PHE A 73 -11.266 -9.341 -0.361 1.00 0.00 C ATOM 1148 O PHE A 73 -11.031 -10.178 -1.233 1.00 0.00 O ATOM 1149 CB PHE A 73 -13.527 -8.264 -0.353 1.00 0.00 C ATOM 1150 CG PHE A 73 -14.680 -8.878 -1.095 1.00 0.00 C ATOM 1151 CD1 PHE A 73 -15.772 -9.384 -0.408 1.00 0.00 C ATOM 1152 CD2 PHE A 73 -14.671 -8.949 -2.479 1.00 0.00 C ATOM 1153 CE1 PHE A 73 -16.835 -9.949 -1.088 1.00 0.00 C ATOM 1154 CE2 PHE A 73 -15.730 -9.513 -3.164 1.00 0.00 C ATOM 1155 CZ PHE A 73 -16.813 -10.014 -2.467 1.00 0.00 C ATOM 0 H PHE A 73 -12.883 -8.077 2.019 1.00 0.00 H new ATOM 0 HA PHE A 73 -13.084 -10.276 0.256 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.914 -7.576 0.398 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -12.931 -7.674 -1.049 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -15.793 -9.336 0.671 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.827 -8.559 -3.028 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -17.681 -10.339 -0.541 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.711 -9.562 -4.243 1.00 0.00 H new ATOM 0 HZ PHE A 73 -17.641 -10.456 -3.001 1.00 0.00 H new ATOM 1165 N ALA A 74 -10.373 -8.438 0.035 1.00 0.00 N ATOM 1166 CA ALA A 74 -9.038 -8.377 -0.546 1.00 0.00 C ATOM 1167 C ALA A 74 -8.174 -9.534 -0.056 1.00 0.00 C ATOM 1168 O ALA A 74 -7.327 -10.044 -0.790 1.00 0.00 O ATOM 1169 CB ALA A 74 -8.378 -7.047 -0.212 1.00 0.00 C ATOM 0 H ALA A 74 -10.551 -7.739 0.756 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.135 -8.461 -1.628 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.381 -7.015 -0.652 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.979 -6.231 -0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.300 -6.941 0.870 1.00 0.00 H new ATOM 1175 N VAL A 75 -8.394 -9.944 1.189 1.00 0.00 N ATOM 1176 CA VAL A 75 -7.636 -11.042 1.777 1.00 0.00 C ATOM 1177 C VAL A 75 -7.998 -12.372 1.122 1.00 0.00 C ATOM 1178 O VAL A 75 -7.120 -13.140 0.730 1.00 0.00 O ATOM 1179 CB VAL A 75 -7.880 -11.144 3.295 1.00 0.00 C ATOM 1180 CG1 VAL A 75 -6.983 -12.208 3.912 1.00 0.00 C ATOM 1181 CG2 VAL A 75 -7.660 -9.796 3.965 1.00 0.00 C ATOM 0 H VAL A 75 -9.091 -9.532 1.810 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.582 -10.829 1.601 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.917 -11.438 3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.170 -12.265 4.984 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.197 -13.174 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.939 -11.948 3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.837 -9.889 5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.635 -9.468 3.794 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.350 -9.064 3.545 1.00 0.00 H new ATOM 1191 N GLN A 76 -9.295 -12.638 1.007 1.00 0.00 N ATOM 1192 CA GLN A 76 -9.767 -13.876 0.399 1.00 0.00 C ATOM 1193 C GLN A 76 -9.280 -13.997 -1.041 1.00 0.00 C ATOM 1194 O GLN A 76 -9.077 -15.101 -1.547 1.00 0.00 O ATOM 1195 CB GLN A 76 -11.295 -13.945 0.444 1.00 0.00 C ATOM 1196 CG GLN A 76 -11.982 -12.856 -0.365 1.00 0.00 C ATOM 1197 CD GLN A 76 -13.108 -13.393 -1.227 1.00 0.00 C ATOM 1198 OE1 GLN A 76 -13.000 -14.471 -1.809 1.00 0.00 O ATOM 1199 NE2 GLN A 76 -14.198 -12.639 -1.314 1.00 0.00 N ATOM 0 H GLN A 76 -10.036 -12.014 1.326 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.359 -14.709 0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.617 -14.918 0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.622 -13.875 1.481 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.377 -12.100 0.313 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.247 -12.362 -1.000 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -14.245 -11.751 -0.814 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -14.988 -12.948 -1.881 1.00 0.00 H new ATOM 1208 N GLN A 77 -9.092 -12.856 -1.697 1.00 0.00 N ATOM 1209 CA GLN A 77 -8.625 -12.837 -3.079 1.00 0.00 C ATOM 1210 C GLN A 77 -7.154 -13.231 -3.161 1.00 0.00 C ATOM 1211 O GLN A 77 -6.777 -14.097 -3.951 1.00 0.00 O ATOM 1212 CB GLN A 77 -8.831 -11.447 -3.688 1.00 0.00 C ATOM 1213 CG GLN A 77 -10.085 -11.337 -4.539 1.00 0.00 C ATOM 1214 CD GLN A 77 -9.833 -11.672 -5.995 1.00 0.00 C ATOM 1215 OE1 GLN A 77 -8.969 -11.079 -6.641 1.00 0.00 O ATOM 1216 NE2 GLN A 77 -10.589 -12.629 -6.521 1.00 0.00 N ATOM 0 H GLN A 77 -9.256 -11.933 -1.294 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.207 -13.564 -3.645 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.881 -10.711 -2.885 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -7.964 -11.195 -4.299 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.848 -12.007 -4.143 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.481 -10.324 -4.466 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -11.294 -13.095 -5.949 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -10.465 -12.898 -7.497 1.00 0.00 H new ATOM 1225 N LEU A 78 -6.329 -12.593 -2.339 1.00 0.00 N ATOM 1226 CA LEU A 78 -4.899 -12.879 -2.318 1.00 0.00 C ATOM 1227 C LEU A 78 -4.628 -14.240 -1.685 1.00 0.00 C ATOM 1228 O LEU A 78 -3.664 -14.920 -2.038 1.00 0.00 O ATOM 1229 CB LEU A 78 -4.146 -11.786 -1.555 1.00 0.00 C ATOM 1230 CG LEU A 78 -4.597 -11.574 -0.108 1.00 0.00 C ATOM 1231 CD1 LEU A 78 -4.034 -12.662 0.795 1.00 0.00 C ATOM 1232 CD2 LEU A 78 -4.173 -10.197 0.382 1.00 0.00 C ATOM 0 H LEU A 78 -6.625 -11.874 -1.678 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.543 -12.899 -3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.084 -12.030 -1.556 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.257 -10.846 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.685 -11.633 -0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.366 -12.493 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.387 -13.636 0.455 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.945 -12.638 0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.501 -10.061 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.088 -10.111 0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.627 -9.431 -0.247 1.00 0.00 H new ATOM 1244 N ARG A 79 -5.486 -14.633 -0.748 1.00 0.00 N ATOM 1245 CA ARG A 79 -5.342 -15.913 -0.066 1.00 0.00 C ATOM 1246 C ARG A 79 -5.709 -17.070 -0.994 1.00 0.00 C ATOM 1247 O ARG A 79 -5.238 -18.193 -0.816 1.00 0.00 O ATOM 1248 CB ARG A 79 -6.222 -15.950 1.185 1.00 0.00 C ATOM 1249 CG ARG A 79 -5.858 -17.063 2.154 1.00 0.00 C ATOM 1250 CD ARG A 79 -7.095 -17.759 2.699 1.00 0.00 C ATOM 1251 NE ARG A 79 -6.978 -18.045 4.126 1.00 0.00 N ATOM 1252 CZ ARG A 79 -7.118 -17.128 5.080 1.00 0.00 C ATOM 1253 NH1 ARG A 79 -7.378 -15.865 4.764 1.00 0.00 N ATOM 1254 NH2 ARG A 79 -6.997 -17.474 6.355 1.00 0.00 N ATOM 0 H ARG A 79 -6.289 -14.082 -0.444 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.298 -16.024 0.228 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -6.147 -14.992 1.700 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -7.263 -16.069 0.883 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.223 -17.791 1.650 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.278 -16.652 2.980 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.970 -17.132 2.525 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.257 -18.690 2.155 1.00 0.00 H new ATOM 0 HE ARG A 79 -6.777 -19.004 4.408 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.472 -15.593 3.785 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -7.484 -15.167 5.500 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -6.797 -18.443 6.604 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.104 -16.771 7.087 1.00 0.00 H new ATOM 1268 N LYS A 80 -6.554 -16.788 -1.982 1.00 0.00 N ATOM 1269 CA LYS A 80 -6.982 -17.806 -2.934 1.00 0.00 C ATOM 1270 C LYS A 80 -5.804 -18.321 -3.755 1.00 0.00 C ATOM 1271 O LYS A 80 -5.815 -19.458 -4.225 1.00 0.00 O ATOM 1272 CB LYS A 80 -8.059 -17.243 -3.863 1.00 0.00 C ATOM 1273 CG LYS A 80 -8.903 -18.314 -4.536 1.00 0.00 C ATOM 1274 CD LYS A 80 -10.063 -18.743 -3.653 1.00 0.00 C ATOM 1275 CE LYS A 80 -11.365 -18.088 -4.085 1.00 0.00 C ATOM 1276 NZ LYS A 80 -12.525 -19.012 -3.948 1.00 0.00 N ATOM 0 H LYS A 80 -6.955 -15.864 -2.143 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.397 -18.641 -2.369 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.712 -16.584 -3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -7.582 -16.632 -4.630 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -9.286 -17.935 -5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.280 -19.178 -4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.170 -19.827 -3.692 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.849 -18.481 -2.617 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -11.539 -17.196 -3.484 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.281 -17.763 -5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.393 -18.527 -4.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.371 -19.852 -4.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.622 -19.303 -2.954 1.00 0.00 H new ATOM 1290 N SER A 81 -4.790 -17.479 -3.926 1.00 0.00 N ATOM 1291 CA SER A 81 -3.606 -17.854 -4.692 1.00 0.00 C ATOM 1292 C SER A 81 -2.950 -19.098 -4.104 1.00 0.00 C ATOM 1293 O SER A 81 -2.964 -20.168 -4.715 1.00 0.00 O ATOM 1294 CB SER A 81 -2.604 -16.699 -4.720 1.00 0.00 C ATOM 1295 OG SER A 81 -3.055 -15.653 -5.563 1.00 0.00 O ATOM 0 H SER A 81 -4.764 -16.533 -3.545 1.00 0.00 H new ATOM 0 HA SER A 81 -3.919 -18.078 -5.712 1.00 0.00 H new ATOM 0 HB2 SER A 81 -2.456 -16.318 -3.710 1.00 0.00 H new ATOM 0 HB3 SER A 81 -1.637 -17.061 -5.070 1.00 0.00 H new ATOM 0 HG SER A 81 -2.479 -15.599 -6.354 1.00 0.00 H new ATOM 1301 N GLY A 82 -2.373 -18.953 -2.915 1.00 0.00 N ATOM 1302 CA GLY A 82 -1.720 -20.074 -2.266 1.00 0.00 C ATOM 1303 C GLY A 82 -0.226 -20.104 -2.524 1.00 0.00 C ATOM 1304 O GLY A 82 0.544 -20.593 -1.697 1.00 0.00 O ATOM 0 H GLY A 82 -2.346 -18.079 -2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.899 -20.023 -1.192 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.165 -21.004 -2.619 1.00 0.00 H new ATOM 1308 N LYS A 83 0.185 -19.580 -3.674 1.00 0.00 N ATOM 1309 CA LYS A 83 1.596 -19.551 -4.039 1.00 0.00 C ATOM 1310 C LYS A 83 1.807 -18.764 -5.329 1.00 0.00 C ATOM 1311 O LYS A 83 2.667 -19.102 -6.141 1.00 0.00 O ATOM 1312 CB LYS A 83 2.134 -20.975 -4.197 1.00 0.00 C ATOM 1313 CG LYS A 83 3.352 -21.263 -3.336 1.00 0.00 C ATOM 1314 CD LYS A 83 3.934 -22.635 -3.635 1.00 0.00 C ATOM 1315 CE LYS A 83 4.457 -22.721 -5.060 1.00 0.00 C ATOM 1316 NZ LYS A 83 5.729 -23.490 -5.140 1.00 0.00 N ATOM 0 H LYS A 83 -0.439 -19.170 -4.369 1.00 0.00 H new ATOM 0 HA LYS A 83 2.144 -19.053 -3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.345 -21.683 -3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.390 -21.144 -5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.110 -20.499 -3.509 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.076 -21.205 -2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.743 -22.848 -2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.170 -23.397 -3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 83 3.707 -23.194 -5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.616 -21.715 -5.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.052 -23.525 -6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.453 -23.025 -4.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.572 -24.458 -4.792 1.00 0.00 H new ATOM 1330 N ASN A 84 1.014 -17.712 -5.511 1.00 0.00 N ATOM 1331 CA ASN A 84 1.114 -16.876 -6.702 1.00 0.00 C ATOM 1332 C ASN A 84 0.140 -15.704 -6.622 1.00 0.00 C ATOM 1333 O ASN A 84 -0.792 -15.599 -7.420 1.00 0.00 O ATOM 1334 CB ASN A 84 0.841 -17.709 -7.958 1.00 0.00 C ATOM 1335 CG ASN A 84 2.113 -18.060 -8.706 1.00 0.00 C ATOM 1336 OD1 ASN A 84 2.783 -17.187 -9.256 1.00 0.00 O ATOM 1337 ND2 ASN A 84 2.451 -19.343 -8.728 1.00 0.00 N ATOM 0 H ASN A 84 0.296 -17.419 -4.849 1.00 0.00 H new ATOM 0 HA ASN A 84 2.127 -16.477 -6.758 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.323 -18.626 -7.677 1.00 0.00 H new ATOM 0 HB3 ASN A 84 0.174 -17.156 -8.620 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.297 -19.639 -9.215 1.00 0.00 H new ATOM 0 HD22 ASN A 84 1.865 -20.033 -8.258 1.00 0.00 H new ATOM 1344 N ALA A 85 0.363 -14.823 -5.653 1.00 0.00 N ATOM 1345 CA ALA A 85 -0.492 -13.658 -5.469 1.00 0.00 C ATOM 1346 C ALA A 85 0.162 -12.406 -6.044 1.00 0.00 C ATOM 1347 O ALA A 85 1.130 -11.887 -5.486 1.00 0.00 O ATOM 1348 CB ALA A 85 -0.806 -13.461 -3.993 1.00 0.00 C ATOM 0 H ALA A 85 1.129 -14.894 -4.983 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.424 -13.832 -6.006 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -1.446 -12.587 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.319 -14.343 -3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.122 -13.312 -3.440 1.00 0.00 H new ATOM 1354 N LYS A 86 -0.370 -11.925 -7.163 1.00 0.00 N ATOM 1355 CA LYS A 86 0.167 -10.735 -7.811 1.00 0.00 C ATOM 1356 C LYS A 86 -0.546 -9.478 -7.322 1.00 0.00 C ATOM 1357 O LYS A 86 -1.763 -9.472 -7.142 1.00 0.00 O ATOM 1358 CB LYS A 86 0.052 -10.856 -9.335 1.00 0.00 C ATOM 1359 CG LYS A 86 -1.317 -10.486 -9.884 1.00 0.00 C ATOM 1360 CD LYS A 86 -1.624 -11.239 -11.169 1.00 0.00 C ATOM 1361 CE LYS A 86 -3.091 -11.629 -11.249 1.00 0.00 C ATOM 1362 NZ LYS A 86 -3.414 -12.318 -12.529 1.00 0.00 N ATOM 0 H LYS A 86 -1.171 -12.340 -7.639 1.00 0.00 H new ATOM 0 HA LYS A 86 1.221 -10.652 -7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 86 0.803 -10.215 -9.798 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.284 -11.880 -9.626 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.081 -10.708 -9.139 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.357 -9.413 -10.071 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.364 -10.618 -12.027 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.005 -12.134 -11.224 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.339 -12.282 -10.413 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.710 -10.737 -11.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.424 -12.567 -12.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.202 -11.686 -13.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.843 -13.183 -12.611 1.00 0.00 H new ATOM 1376 N ILE A 87 0.222 -8.415 -7.112 1.00 0.00 N ATOM 1377 CA ILE A 87 -0.334 -7.152 -6.644 1.00 0.00 C ATOM 1378 C ILE A 87 0.155 -5.988 -7.500 1.00 0.00 C ATOM 1379 O ILE A 87 1.346 -5.875 -7.790 1.00 0.00 O ATOM 1380 CB ILE A 87 0.037 -6.885 -5.172 1.00 0.00 C ATOM 1381 CG1 ILE A 87 -0.305 -8.102 -4.308 1.00 0.00 C ATOM 1382 CG2 ILE A 87 -0.680 -5.643 -4.659 1.00 0.00 C ATOM 1383 CD1 ILE A 87 0.902 -8.932 -3.929 1.00 0.00 C ATOM 0 H ILE A 87 1.231 -8.403 -7.259 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.418 -7.232 -6.728 1.00 0.00 H new ATOM 0 HB ILE A 87 1.111 -6.710 -5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.803 -7.764 -3.399 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.014 -8.731 -4.845 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.407 -5.469 -3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -0.389 -4.781 -5.259 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.758 -5.789 -4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.585 -9.777 -3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 87 1.389 -9.300 -4.832 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.603 -8.318 -3.364 1.00 0.00 H new ATOM 1395 N THR A 88 -0.773 -5.124 -7.898 1.00 0.00 N ATOM 1396 CA THR A 88 -0.438 -3.966 -8.719 1.00 0.00 C ATOM 1397 C THR A 88 -0.304 -2.716 -7.856 1.00 0.00 C ATOM 1398 O THR A 88 -1.197 -2.392 -7.073 1.00 0.00 O ATOM 1399 CB THR A 88 -1.506 -3.749 -9.795 1.00 0.00 C ATOM 1400 OG1 THR A 88 -2.325 -4.898 -9.931 1.00 0.00 O ATOM 1401 CG2 THR A 88 -0.927 -3.437 -11.157 1.00 0.00 C ATOM 0 H THR A 88 -1.763 -5.204 -7.665 1.00 0.00 H new ATOM 0 HA THR A 88 0.519 -4.157 -9.205 1.00 0.00 H new ATOM 0 HB THR A 88 -2.085 -2.890 -9.456 1.00 0.00 H new ATOM 0 HG1 THR A 88 -2.899 -4.986 -9.142 1.00 0.00 H new ATOM 0 HG21 THR A 88 -1.737 -3.295 -11.873 1.00 0.00 H new ATOM 0 HG22 THR A 88 -0.330 -2.527 -11.099 1.00 0.00 H new ATOM 0 HG23 THR A 88 -0.296 -4.264 -11.483 1.00 0.00 H new ATOM 1409 N ILE A 89 0.818 -2.017 -8.001 1.00 0.00 N ATOM 1410 CA ILE A 89 1.065 -0.806 -7.227 1.00 0.00 C ATOM 1411 C ILE A 89 1.735 0.265 -8.078 1.00 0.00 C ATOM 1412 O ILE A 89 2.280 -0.027 -9.144 1.00 0.00 O ATOM 1413 CB ILE A 89 1.953 -1.094 -6.001 1.00 0.00 C ATOM 1414 CG1 ILE A 89 3.225 -1.831 -6.429 1.00 0.00 C ATOM 1415 CG2 ILE A 89 1.186 -1.903 -4.964 1.00 0.00 C ATOM 1416 CD1 ILE A 89 4.359 -0.906 -6.815 1.00 0.00 C ATOM 0 H ILE A 89 1.568 -2.268 -8.645 1.00 0.00 H new ATOM 0 HA ILE A 89 0.093 -0.445 -6.890 1.00 0.00 H new ATOM 0 HB ILE A 89 2.239 -0.145 -5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.554 -2.475 -5.613 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.993 -2.480 -7.274 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.829 -2.097 -4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 89 0.309 -1.342 -4.641 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.870 -2.850 -5.402 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.227 -1.497 -7.107 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.049 -0.279 -7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.619 -0.275 -5.965 1.00 0.00 H new ATOM 1428 N ARG A 90 1.698 1.508 -7.604 1.00 0.00 N ATOM 1429 CA ARG A 90 2.311 2.614 -8.330 1.00 0.00 C ATOM 1430 C ARG A 90 3.332 3.345 -7.464 1.00 0.00 C ATOM 1431 O ARG A 90 3.083 3.623 -6.289 1.00 0.00 O ATOM 1432 CB ARG A 90 1.249 3.602 -8.823 1.00 0.00 C ATOM 1433 CG ARG A 90 0.128 2.954 -9.613 1.00 0.00 C ATOM 1434 CD ARG A 90 -1.012 2.502 -8.719 1.00 0.00 C ATOM 1435 NE ARG A 90 -2.296 3.054 -9.144 1.00 0.00 N ATOM 1436 CZ ARG A 90 -2.664 4.318 -8.948 1.00 0.00 C ATOM 1437 NH1 ARG A 90 -1.856 5.165 -8.323 1.00 0.00 N ATOM 1438 NH2 ARG A 90 -3.848 4.737 -9.377 1.00 0.00 N ATOM 0 H ARG A 90 1.252 1.772 -6.725 1.00 0.00 H new ATOM 0 HA ARG A 90 2.826 2.190 -9.192 1.00 0.00 H new ATOM 0 HB2 ARG A 90 0.823 4.121 -7.964 1.00 0.00 H new ATOM 0 HB3 ARG A 90 1.730 4.357 -9.445 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.250 3.660 -10.352 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.520 2.097 -10.162 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -1.066 1.413 -8.724 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -0.809 2.806 -7.692 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.950 2.433 -9.620 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -0.946 4.849 -7.989 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -2.145 6.132 -8.177 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.475 4.091 -9.856 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.131 5.705 -9.227 1.00 0.00 H new ATOM 1452 N ARG A 91 4.480 3.655 -8.057 1.00 0.00 N ATOM 1453 CA ARG A 91 5.547 4.358 -7.353 1.00 0.00 C ATOM 1454 C ARG A 91 6.333 5.247 -8.314 1.00 0.00 C ATOM 1455 O ARG A 91 6.449 4.943 -9.500 1.00 0.00 O ATOM 1456 CB ARG A 91 6.495 3.364 -6.668 1.00 0.00 C ATOM 1457 CG ARG A 91 6.327 1.923 -7.129 1.00 0.00 C ATOM 1458 CD ARG A 91 6.835 1.729 -8.548 1.00 0.00 C ATOM 1459 NE ARG A 91 8.282 1.909 -8.641 1.00 0.00 N ATOM 1460 CZ ARG A 91 9.170 0.980 -8.290 1.00 0.00 C ATOM 1461 NH1 ARG A 91 8.761 -0.193 -7.823 1.00 0.00 N ATOM 1462 NH2 ARG A 91 10.467 1.224 -8.407 1.00 0.00 N ATOM 0 H ARG A 91 4.696 3.429 -9.028 1.00 0.00 H new ATOM 0 HA ARG A 91 5.087 4.986 -6.590 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.524 3.675 -6.851 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.335 3.410 -5.591 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.867 1.259 -6.454 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.275 1.644 -7.077 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.571 0.730 -8.894 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.338 2.437 -9.211 1.00 0.00 H new ATOM 0 HE ARG A 91 8.633 2.799 -8.996 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.764 -0.386 -7.732 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.444 -0.902 -7.555 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.786 2.124 -8.766 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.146 0.512 -8.138 1.00 0.00 H new ATOM 1476 N LYS A 92 6.873 6.345 -7.792 1.00 0.00 N ATOM 1477 CA LYS A 92 7.650 7.273 -8.609 1.00 0.00 C ATOM 1478 C LYS A 92 8.879 7.779 -7.856 1.00 0.00 C ATOM 1479 O LYS A 92 9.945 7.962 -8.446 1.00 0.00 O ATOM 1480 CB LYS A 92 6.783 8.454 -9.055 1.00 0.00 C ATOM 1481 CG LYS A 92 6.107 9.188 -7.908 1.00 0.00 C ATOM 1482 CD LYS A 92 5.930 10.666 -8.219 1.00 0.00 C ATOM 1483 CE LYS A 92 6.941 11.522 -7.469 1.00 0.00 C ATOM 1484 NZ LYS A 92 7.832 12.276 -8.395 1.00 0.00 N ATOM 0 H LYS A 92 6.788 6.613 -6.812 1.00 0.00 H new ATOM 0 HA LYS A 92 7.991 6.732 -9.492 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.403 9.159 -9.609 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.019 8.092 -9.743 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.134 8.738 -7.710 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.701 9.075 -7.001 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.039 10.828 -9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 92 4.920 10.976 -7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 92 6.413 12.223 -6.823 1.00 0.00 H new ATOM 0 HE3 LYS A 92 7.545 10.886 -6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.815 11.964 -8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.542 12.098 -9.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 7.762 13.294 -8.193 1.00 0.00 H new ATOM 1498 N LYS A 93 8.728 8.005 -6.554 1.00 0.00 N ATOM 1499 CA LYS A 93 9.830 8.489 -5.731 1.00 0.00 C ATOM 1500 C LYS A 93 10.314 9.853 -6.216 1.00 0.00 C ATOM 1501 O LYS A 93 9.901 10.871 -5.621 1.00 0.00 O ATOM 1502 CB LYS A 93 10.988 7.488 -5.752 1.00 0.00 C ATOM 1503 CG LYS A 93 10.936 6.476 -4.619 1.00 0.00 C ATOM 1504 CD LYS A 93 12.035 5.434 -4.753 1.00 0.00 C ATOM 1505 CE LYS A 93 11.916 4.357 -3.686 1.00 0.00 C ATOM 1506 NZ LYS A 93 11.016 3.250 -4.113 1.00 0.00 N ATOM 1507 OXT LYS A 93 11.100 9.890 -7.185 1.00 0.00 O ATOM 0 H LYS A 93 7.854 7.861 -6.048 1.00 0.00 H new ATOM 0 HA LYS A 93 9.467 8.594 -4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.981 6.957 -6.704 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.930 8.033 -5.698 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.036 6.992 -3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.964 5.983 -4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.985 4.976 -5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.008 5.918 -4.675 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.905 3.956 -3.463 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.536 4.799 -2.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.961 2.536 -3.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.066 3.628 -4.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.392 2.811 -4.978 1.00 0.00 H new TER 1521 LYS A 93