USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 864 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 Single : A 7 SER OG : rot 180:sc= -0.0579 USER MOD Single : A 8 THR OG1 : rot -170:sc= -0.58 USER MOD Single : A 19 ASN : amide:sc= -1.31 K(o=-1.3,f=-2.6!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -2.4 K(o=-2.4,f=-3.3!) USER MOD Single : A 23 ASN :FLIP amide:sc= -0.79 F(o=-6.4!,f=-0.79) USER MOD Single : A 24 GLN : amide:sc= -0.818 K(o=-0.82,f=-3.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.509 USER MOD Single : A 33 MET CE :methyl -167:sc=-0.00198 (180deg=-0.123) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0397 K(o=-0.04,f=-1.9!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.328 USER MOD Single : A 43 MET CE :methyl -150:sc= -0.342 (180deg=-1.9!) USER MOD Single : A 44 TYR OH : rot 120:sc= 0 USER MOD Single : A 50 SER OG : rot 81:sc= 0 USER MOD Single : A 53 ASN : amide:sc=-0.00406 K(o=-0.0041,f=-1.1!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 158:sc= -0.132 (180deg=-0.746) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.783 K(o=-0.78,f=-1.4) USER MOD Single : A 66 MET CE :methyl -169:sc= -0.393 (180deg=-0.865) USER MOD Single : A 68 SER OG : rot 76:sc= 0.0479 USER MOD Single : A 73 HIS : no HD1:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -0.178 K(o=-0.18,f=-0.84) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -26:sc= 0.522 USER MOD Single : A 84 HIS : no HD1:sc= -2.95! C(o=-3!,f=-3.4!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 153:sc= -0.305 (180deg=-1.31!) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HD1:sc= -4.32 X(o=-4.3,f=-4.6!) USER MOD Single : A 104 LYS NZ :NH3+ 164:sc= -3.41! (180deg=-5.24!) USER MOD Single : A 105 LYS NZ :NH3+ -163:sc= -0.0507 (180deg=-0.403) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD ----------------------------------------------------------------- ATOM 57 N PRO A 5 18.281 5.378 3.369 1.00 0.00 N ATOM 58 CA PRO A 5 17.900 6.093 2.113 1.00 0.00 C ATOM 59 C PRO A 5 16.581 5.556 1.512 1.00 0.00 C ATOM 60 O PRO A 5 16.103 4.510 1.904 1.00 0.00 O ATOM 61 CB PRO A 5 19.101 5.808 1.186 1.00 0.00 C ATOM 62 CG PRO A 5 19.971 4.726 1.850 1.00 0.00 C ATOM 63 CD PRO A 5 19.575 4.635 3.333 1.00 0.00 C ATOM 0 HA PRO A 5 17.711 7.155 2.270 1.00 0.00 H new ATOM 0 HB2 PRO A 5 18.756 5.472 0.208 1.00 0.00 H new ATOM 0 HB3 PRO A 5 19.681 6.717 1.024 1.00 0.00 H new ATOM 0 HG2 PRO A 5 19.824 3.765 1.358 1.00 0.00 H new ATOM 0 HG3 PRO A 5 21.028 4.975 1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 5 19.458 3.601 3.659 1.00 0.00 H new ATOM 0 HD3 PRO A 5 20.323 5.091 3.981 1.00 0.00 H new ATOM 71 N PRO A 6 15.996 6.267 0.568 1.00 0.00 N ATOM 72 CA PRO A 6 14.718 5.815 -0.062 1.00 0.00 C ATOM 73 C PRO A 6 14.864 4.484 -0.816 1.00 0.00 C ATOM 74 O PRO A 6 14.045 3.595 -0.694 1.00 0.00 O ATOM 75 CB PRO A 6 14.395 6.967 -1.039 1.00 0.00 C ATOM 76 CG PRO A 6 15.592 7.939 -1.066 1.00 0.00 C ATOM 77 CD PRO A 6 16.558 7.556 0.069 1.00 0.00 C ATOM 0 HA PRO A 6 13.939 5.624 0.676 1.00 0.00 H new ATOM 0 HB2 PRO A 6 14.204 6.574 -2.038 1.00 0.00 H new ATOM 0 HB3 PRO A 6 13.491 7.488 -0.724 1.00 0.00 H new ATOM 0 HG2 PRO A 6 16.100 7.888 -2.029 1.00 0.00 H new ATOM 0 HG3 PRO A 6 15.249 8.966 -0.941 1.00 0.00 H new ATOM 0 HD2 PRO A 6 17.579 7.438 -0.293 1.00 0.00 H new ATOM 0 HD3 PRO A 6 16.583 8.315 0.851 1.00 0.00 H new ATOM 85 N SER A 7 15.889 4.354 -1.608 1.00 0.00 N ATOM 86 CA SER A 7 16.077 3.098 -2.387 1.00 0.00 C ATOM 87 C SER A 7 16.214 1.907 -1.440 1.00 0.00 C ATOM 88 O SER A 7 15.692 0.839 -1.693 1.00 0.00 O ATOM 89 CB SER A 7 17.344 3.217 -3.234 1.00 0.00 C ATOM 90 OG SER A 7 18.476 3.269 -2.375 1.00 0.00 O ATOM 0 H SER A 7 16.607 5.064 -1.751 1.00 0.00 H new ATOM 0 HA SER A 7 15.211 2.944 -3.030 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.425 2.367 -3.911 1.00 0.00 H new ATOM 0 HB3 SER A 7 17.300 4.114 -3.852 1.00 0.00 H new ATOM 0 HG SER A 7 19.292 3.344 -2.913 1.00 0.00 H new ATOM 96 N THR A 8 16.914 2.076 -0.356 1.00 0.00 N ATOM 97 CA THR A 8 17.084 0.944 0.600 1.00 0.00 C ATOM 98 C THR A 8 15.758 0.647 1.304 1.00 0.00 C ATOM 99 O THR A 8 15.377 -0.494 1.470 1.00 0.00 O ATOM 100 CB THR A 8 18.152 1.310 1.631 1.00 0.00 C ATOM 101 OG1 THR A 8 19.388 1.525 0.965 1.00 0.00 O ATOM 102 CG2 THR A 8 18.306 0.176 2.645 1.00 0.00 C ATOM 0 H THR A 8 17.376 2.945 -0.089 1.00 0.00 H new ATOM 0 HA THR A 8 17.396 0.054 0.054 1.00 0.00 H new ATOM 0 HB THR A 8 17.854 2.218 2.156 1.00 0.00 H new ATOM 0 HG1 THR A 8 20.107 1.604 1.627 1.00 0.00 H new ATOM 0 HG21 THR A 8 19.068 0.443 3.377 1.00 0.00 H new ATOM 0 HG22 THR A 8 17.356 0.012 3.154 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.603 -0.736 2.128 1.00 0.00 H new ATOM 110 N ALA A 9 15.051 1.659 1.720 1.00 0.00 N ATOM 111 CA ALA A 9 13.754 1.424 2.412 1.00 0.00 C ATOM 112 C ALA A 9 12.793 0.706 1.463 1.00 0.00 C ATOM 113 O ALA A 9 12.086 -0.203 1.851 1.00 0.00 O ATOM 114 CB ALA A 9 13.152 2.766 2.834 1.00 0.00 C ATOM 0 H ALA A 9 15.315 2.638 1.611 1.00 0.00 H new ATOM 0 HA ALA A 9 13.918 0.807 3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 9 12.202 2.595 3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.838 3.276 3.511 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.986 3.384 1.952 1.00 0.00 H new ATOM 120 N LEU A 10 12.758 1.109 0.223 1.00 0.00 N ATOM 121 CA LEU A 10 11.839 0.451 -0.746 1.00 0.00 C ATOM 122 C LEU A 10 12.193 -1.032 -0.886 1.00 0.00 C ATOM 123 O LEU A 10 11.334 -1.890 -0.830 1.00 0.00 O ATOM 124 CB LEU A 10 11.951 1.146 -2.106 1.00 0.00 C ATOM 125 CG LEU A 10 11.016 0.475 -3.126 1.00 0.00 C ATOM 126 CD1 LEU A 10 9.557 0.559 -2.650 1.00 0.00 C ATOM 127 CD2 LEU A 10 11.157 1.188 -4.475 1.00 0.00 C ATOM 0 H LEU A 10 13.326 1.865 -0.160 1.00 0.00 H new ATOM 0 HA LEU A 10 10.815 0.532 -0.381 1.00 0.00 H new ATOM 0 HB2 LEU A 10 11.694 2.201 -2.006 1.00 0.00 H new ATOM 0 HB3 LEU A 10 12.980 1.101 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 10 11.290 -0.575 -3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 10 8.907 0.080 -3.382 1.00 0.00 H new ATOM 0 HD12 LEU A 10 9.458 0.052 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.270 1.605 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.497 0.719 -5.205 1.00 0.00 H new ATOM 0 HD22 LEU A 10 10.885 2.238 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.189 1.115 -4.819 1.00 0.00 H new ATOM 139 N ARG A 11 13.447 -1.347 -1.072 1.00 0.00 N ATOM 140 CA ARG A 11 13.835 -2.779 -1.220 1.00 0.00 C ATOM 141 C ARG A 11 13.432 -3.524 0.048 1.00 0.00 C ATOM 142 O ARG A 11 12.951 -4.639 0.003 1.00 0.00 O ATOM 143 CB ARG A 11 15.351 -2.883 -1.409 1.00 0.00 C ATOM 144 CG ARG A 11 15.730 -2.331 -2.786 1.00 0.00 C ATOM 145 CD ARG A 11 17.244 -2.123 -2.892 1.00 0.00 C ATOM 146 NE ARG A 11 17.937 -3.459 -2.969 1.00 0.00 N ATOM 147 CZ ARG A 11 18.170 -4.189 -1.919 1.00 0.00 C ATOM 148 NH1 ARG A 11 17.921 -3.726 -0.725 1.00 0.00 N ATOM 149 NH2 ARG A 11 18.699 -5.374 -2.058 1.00 0.00 N ATOM 0 H ARG A 11 14.215 -0.679 -1.128 1.00 0.00 H new ATOM 0 HA ARG A 11 13.335 -3.212 -2.086 1.00 0.00 H new ATOM 0 HB2 ARG A 11 15.865 -2.325 -0.627 1.00 0.00 H new ATOM 0 HB3 ARG A 11 15.669 -3.922 -1.321 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.398 -3.020 -3.563 1.00 0.00 H new ATOM 0 HG3 ARG A 11 15.216 -1.385 -2.958 1.00 0.00 H new ATOM 0 HD2 ARG A 11 17.478 -1.530 -3.776 1.00 0.00 H new ATOM 0 HD3 ARG A 11 17.605 -1.565 -2.028 1.00 0.00 H new ATOM 0 HE ARG A 11 18.235 -3.804 -3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.541 -2.786 -0.611 1.00 0.00 H new ATOM 0 HH12 ARG A 11 18.106 -4.304 0.095 1.00 0.00 H new ATOM 0 HH21 ARG A 11 18.928 -5.724 -2.988 1.00 0.00 H new ATOM 0 HH22 ARG A 11 18.883 -5.950 -1.236 1.00 0.00 H new ATOM 163 N GLU A 12 13.621 -2.910 1.179 1.00 0.00 N ATOM 164 CA GLU A 12 13.245 -3.567 2.456 1.00 0.00 C ATOM 165 C GLU A 12 11.725 -3.757 2.497 1.00 0.00 C ATOM 166 O GLU A 12 11.228 -4.770 2.947 1.00 0.00 O ATOM 167 CB GLU A 12 13.686 -2.679 3.621 1.00 0.00 C ATOM 168 CG GLU A 12 15.214 -2.679 3.714 1.00 0.00 C ATOM 169 CD GLU A 12 15.702 -4.053 4.175 1.00 0.00 C ATOM 170 OE1 GLU A 12 15.309 -4.469 5.252 1.00 0.00 O ATOM 171 OE2 GLU A 12 16.465 -4.664 3.444 1.00 0.00 O ATOM 0 H GLU A 12 14.022 -1.977 1.274 1.00 0.00 H new ATOM 0 HA GLU A 12 13.732 -4.539 2.534 1.00 0.00 H new ATOM 0 HB2 GLU A 12 13.320 -1.663 3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 12 13.254 -3.043 4.553 1.00 0.00 H new ATOM 0 HG2 GLU A 12 15.647 -2.435 2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 12 15.545 -1.911 4.413 1.00 0.00 H new ATOM 178 N LEU A 13 10.986 -2.783 2.034 1.00 0.00 N ATOM 179 CA LEU A 13 9.498 -2.895 2.048 1.00 0.00 C ATOM 180 C LEU A 13 9.039 -3.941 1.024 1.00 0.00 C ATOM 181 O LEU A 13 8.141 -4.717 1.282 1.00 0.00 O ATOM 182 CB LEU A 13 8.895 -1.525 1.705 1.00 0.00 C ATOM 183 CG LEU A 13 7.358 -1.586 1.705 1.00 0.00 C ATOM 184 CD1 LEU A 13 6.834 -1.974 3.097 1.00 0.00 C ATOM 185 CD2 LEU A 13 6.812 -0.207 1.319 1.00 0.00 C ATOM 0 H LEU A 13 11.350 -1.913 1.646 1.00 0.00 H new ATOM 0 HA LEU A 13 9.163 -3.208 3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.233 -0.783 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.250 -1.202 0.727 1.00 0.00 H new ATOM 0 HG LEU A 13 7.027 -2.338 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.745 -2.012 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.227 -2.952 3.374 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.158 -1.233 3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.722 -0.235 1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.153 0.535 2.041 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.172 0.062 0.326 1.00 0.00 H new ATOM 197 N ILE A 14 9.641 -3.969 -0.135 1.00 0.00 N ATOM 198 CA ILE A 14 9.225 -4.969 -1.161 1.00 0.00 C ATOM 199 C ILE A 14 9.430 -6.388 -0.619 1.00 0.00 C ATOM 200 O ILE A 14 8.556 -7.229 -0.706 1.00 0.00 O ATOM 201 CB ILE A 14 10.046 -4.774 -2.446 1.00 0.00 C ATOM 202 CG1 ILE A 14 9.631 -3.452 -3.104 1.00 0.00 C ATOM 203 CG2 ILE A 14 9.777 -5.935 -3.412 1.00 0.00 C ATOM 204 CD1 ILE A 14 10.556 -3.137 -4.284 1.00 0.00 C ATOM 0 H ILE A 14 10.399 -3.346 -0.415 1.00 0.00 H new ATOM 0 HA ILE A 14 8.169 -4.826 -1.390 1.00 0.00 H new ATOM 0 HB ILE A 14 11.109 -4.750 -2.204 1.00 0.00 H new ATOM 0 HG12 ILE A 14 8.599 -3.517 -3.448 1.00 0.00 H new ATOM 0 HG13 ILE A 14 9.673 -2.644 -2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 14 10.360 -5.794 -4.322 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.063 -6.875 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.716 -5.962 -3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.252 -2.196 -4.744 1.00 0.00 H new ATOM 0 HD12 ILE A 14 11.583 -3.052 -3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.492 -3.938 -5.020 1.00 0.00 H new ATOM 216 N GLU A 15 10.584 -6.665 -0.080 1.00 0.00 N ATOM 217 CA GLU A 15 10.857 -8.033 0.447 1.00 0.00 C ATOM 218 C GLU A 15 9.859 -8.388 1.554 1.00 0.00 C ATOM 219 O GLU A 15 9.384 -9.504 1.634 1.00 0.00 O ATOM 220 CB GLU A 15 12.274 -8.076 1.021 1.00 0.00 C ATOM 221 CG GLU A 15 13.290 -7.965 -0.116 1.00 0.00 C ATOM 222 CD GLU A 15 14.707 -8.009 0.461 1.00 0.00 C ATOM 223 OE1 GLU A 15 14.834 -7.951 1.673 1.00 0.00 O ATOM 224 OE2 GLU A 15 15.640 -8.102 -0.319 1.00 0.00 O ATOM 0 H GLU A 15 11.353 -6.002 0.019 1.00 0.00 H new ATOM 0 HA GLU A 15 10.756 -8.752 -0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.415 -7.260 1.730 1.00 0.00 H new ATOM 0 HB3 GLU A 15 12.427 -9.005 1.570 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.149 -8.781 -0.825 1.00 0.00 H new ATOM 0 HG3 GLU A 15 13.138 -7.036 -0.665 1.00 0.00 H new ATOM 231 N GLU A 16 9.545 -7.460 2.416 1.00 0.00 N ATOM 232 CA GLU A 16 8.591 -7.769 3.518 1.00 0.00 C ATOM 233 C GLU A 16 7.177 -7.957 2.958 1.00 0.00 C ATOM 234 O GLU A 16 6.485 -8.888 3.316 1.00 0.00 O ATOM 235 CB GLU A 16 8.593 -6.624 4.531 1.00 0.00 C ATOM 236 CG GLU A 16 7.785 -7.031 5.765 1.00 0.00 C ATOM 237 CD GLU A 16 7.825 -5.901 6.796 1.00 0.00 C ATOM 238 OE1 GLU A 16 8.595 -4.976 6.602 1.00 0.00 O ATOM 239 OE2 GLU A 16 7.087 -5.983 7.764 1.00 0.00 O ATOM 0 H GLU A 16 9.906 -6.506 2.405 1.00 0.00 H new ATOM 0 HA GLU A 16 8.902 -8.692 4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.616 -6.380 4.818 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.165 -5.727 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.754 -7.245 5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.194 -7.945 6.195 1.00 0.00 H new ATOM 246 N LEU A 17 6.738 -7.089 2.082 1.00 0.00 N ATOM 247 CA LEU A 17 5.366 -7.247 1.516 1.00 0.00 C ATOM 248 C LEU A 17 5.278 -8.584 0.785 1.00 0.00 C ATOM 249 O LEU A 17 4.302 -9.297 0.880 1.00 0.00 O ATOM 250 CB LEU A 17 5.073 -6.124 0.513 1.00 0.00 C ATOM 251 CG LEU A 17 4.956 -4.772 1.229 1.00 0.00 C ATOM 252 CD1 LEU A 17 4.845 -3.665 0.175 1.00 0.00 C ATOM 253 CD2 LEU A 17 3.711 -4.745 2.139 1.00 0.00 C ATOM 0 H LEU A 17 7.265 -6.286 1.738 1.00 0.00 H new ATOM 0 HA LEU A 17 4.642 -7.206 2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.868 -6.079 -0.232 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.147 -6.339 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 17 5.839 -4.617 1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.761 -2.698 0.671 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.733 -3.673 -0.456 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.961 -3.835 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.646 -3.778 2.638 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.817 -4.904 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.790 -5.534 2.887 1.00 0.00 H new ATOM 265 N VAL A 18 6.293 -8.921 0.047 1.00 0.00 N ATOM 266 CA VAL A 18 6.278 -10.203 -0.705 1.00 0.00 C ATOM 267 C VAL A 18 6.287 -11.379 0.279 1.00 0.00 C ATOM 268 O VAL A 18 5.624 -12.374 0.080 1.00 0.00 O ATOM 269 CB VAL A 18 7.519 -10.263 -1.602 1.00 0.00 C ATOM 270 CG1 VAL A 18 7.663 -11.662 -2.203 1.00 0.00 C ATOM 271 CG2 VAL A 18 7.381 -9.235 -2.728 1.00 0.00 C ATOM 0 H VAL A 18 7.138 -8.361 -0.069 1.00 0.00 H new ATOM 0 HA VAL A 18 5.378 -10.264 -1.318 1.00 0.00 H new ATOM 0 HB VAL A 18 8.404 -10.039 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.548 -11.695 -2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.765 -12.394 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.780 -11.895 -2.797 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.263 -9.276 -3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.493 -9.460 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.289 -8.237 -2.300 1.00 0.00 H new ATOM 281 N ASN A 19 7.044 -11.275 1.332 1.00 0.00 N ATOM 282 CA ASN A 19 7.117 -12.391 2.320 1.00 0.00 C ATOM 283 C ASN A 19 5.740 -12.693 2.927 1.00 0.00 C ATOM 284 O ASN A 19 5.396 -13.835 3.157 1.00 0.00 O ATOM 285 CB ASN A 19 8.078 -11.995 3.445 1.00 0.00 C ATOM 286 CG ASN A 19 9.514 -11.984 2.918 1.00 0.00 C ATOM 287 OD1 ASN A 19 9.830 -12.666 1.964 1.00 0.00 O ATOM 288 ND2 ASN A 19 10.404 -11.232 3.506 1.00 0.00 N ATOM 0 H ASN A 19 7.619 -10.463 1.555 1.00 0.00 H new ATOM 0 HA ASN A 19 7.469 -13.284 1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.815 -11.010 3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 19 7.990 -12.697 4.275 1.00 0.00 H new ATOM 0 HD21 ASN A 19 11.365 -11.217 3.164 1.00 0.00 H new ATOM 0 HD22 ASN A 19 10.139 -10.659 4.307 1.00 0.00 H new ATOM 295 N ILE A 20 4.963 -11.687 3.222 1.00 0.00 N ATOM 296 CA ILE A 20 3.630 -11.934 3.852 1.00 0.00 C ATOM 297 C ILE A 20 2.582 -12.398 2.826 1.00 0.00 C ATOM 298 O ILE A 20 1.555 -12.925 3.202 1.00 0.00 O ATOM 299 CB ILE A 20 3.146 -10.657 4.545 1.00 0.00 C ATOM 300 CG1 ILE A 20 3.179 -9.487 3.558 1.00 0.00 C ATOM 301 CG2 ILE A 20 4.059 -10.348 5.733 1.00 0.00 C ATOM 302 CD1 ILE A 20 2.677 -8.212 4.244 1.00 0.00 C ATOM 0 H ILE A 20 5.190 -10.707 3.056 1.00 0.00 H new ATOM 0 HA ILE A 20 3.751 -12.734 4.582 1.00 0.00 H new ATOM 0 HB ILE A 20 2.124 -10.802 4.896 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.195 -9.338 3.192 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.558 -9.713 2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.717 -9.439 6.228 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.031 -11.178 6.439 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.080 -10.206 5.380 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.703 -7.384 3.536 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.654 -8.363 4.588 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.316 -7.981 5.096 1.00 0.00 H new ATOM 314 N THR A 21 2.805 -12.204 1.544 1.00 0.00 N ATOM 315 CA THR A 21 1.776 -12.637 0.533 1.00 0.00 C ATOM 316 C THR A 21 2.165 -13.974 -0.113 1.00 0.00 C ATOM 317 O THR A 21 1.330 -14.663 -0.663 1.00 0.00 O ATOM 318 CB THR A 21 1.646 -11.569 -0.562 1.00 0.00 C ATOM 319 OG1 THR A 21 2.900 -11.400 -1.208 1.00 0.00 O ATOM 320 CG2 THR A 21 1.198 -10.237 0.051 1.00 0.00 C ATOM 0 H THR A 21 3.643 -11.771 1.156 1.00 0.00 H new ATOM 0 HA THR A 21 0.825 -12.762 1.050 1.00 0.00 H new ATOM 0 HB THR A 21 0.901 -11.891 -1.289 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.818 -10.719 -1.908 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.109 -9.487 -0.735 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.232 -10.368 0.539 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.934 -9.908 0.785 1.00 0.00 H new ATOM 328 N GLN A 22 3.412 -14.355 -0.059 1.00 0.00 N ATOM 329 CA GLN A 22 3.810 -15.654 -0.682 1.00 0.00 C ATOM 330 C GLN A 22 3.318 -16.830 0.169 1.00 0.00 C ATOM 331 O GLN A 22 2.938 -17.861 -0.351 1.00 0.00 O ATOM 332 CB GLN A 22 5.333 -15.727 -0.825 1.00 0.00 C ATOM 333 CG GLN A 22 5.792 -14.786 -1.942 1.00 0.00 C ATOM 334 CD GLN A 22 7.320 -14.780 -2.010 1.00 0.00 C ATOM 335 OE1 GLN A 22 7.985 -15.061 -1.032 1.00 0.00 O ATOM 336 NE2 GLN A 22 7.910 -14.472 -3.133 1.00 0.00 N ATOM 0 H GLN A 22 4.167 -13.831 0.384 1.00 0.00 H new ATOM 0 HA GLN A 22 3.352 -15.715 -1.669 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.810 -15.451 0.115 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.638 -16.749 -1.049 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.376 -15.108 -2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 22 5.422 -13.778 -1.757 1.00 0.00 H new ATOM 0 HE21 GLN A 22 7.353 -14.236 -3.954 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.928 -14.467 -3.189 1.00 0.00 H new ATOM 345 N ASN A 23 3.345 -16.698 1.471 1.00 0.00 N ATOM 346 CA ASN A 23 2.902 -17.825 2.357 1.00 0.00 C ATOM 347 C ASN A 23 1.460 -17.620 2.837 1.00 0.00 C ATOM 348 O ASN A 23 0.982 -18.348 3.684 1.00 0.00 O ATOM 349 CB ASN A 23 3.828 -17.896 3.573 1.00 0.00 C ATOM 350 CG ASN A 23 3.641 -16.644 4.433 1.00 0.00 C ATOM 351 OD1 ASN A 23 2.935 -15.648 3.971 1.00 0.00 O flip ATOM 352 ND2 ASN A 23 4.141 -16.572 5.538 1.00 0.00 N flip ATOM 0 H ASN A 23 3.654 -15.859 1.962 1.00 0.00 H new ATOM 0 HA ASN A 23 2.946 -18.752 1.785 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.608 -18.788 4.159 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.866 -17.975 3.249 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.693 -17.350 5.900 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.009 -15.734 6.104 1.00 0.00 H new ATOM 359 N GLN A 24 0.754 -16.648 2.321 1.00 0.00 N ATOM 360 CA GLN A 24 -0.651 -16.444 2.788 1.00 0.00 C ATOM 361 C GLN A 24 -1.570 -17.434 2.068 1.00 0.00 C ATOM 362 O GLN A 24 -1.562 -17.534 0.858 1.00 0.00 O ATOM 363 CB GLN A 24 -1.095 -14.993 2.503 1.00 0.00 C ATOM 364 CG GLN A 24 -1.492 -14.814 1.029 1.00 0.00 C ATOM 365 CD GLN A 24 -1.694 -13.326 0.735 1.00 0.00 C ATOM 366 OE1 GLN A 24 -1.507 -12.494 1.600 1.00 0.00 O ATOM 367 NE2 GLN A 24 -2.065 -12.954 -0.459 1.00 0.00 N ATOM 0 H GLN A 24 1.081 -15.996 1.608 1.00 0.00 H new ATOM 0 HA GLN A 24 -0.709 -16.618 3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.938 -14.735 3.144 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -0.285 -14.307 2.750 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.717 -15.222 0.380 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -2.408 -15.365 0.818 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.222 -13.653 -1.185 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.198 -11.964 -0.666 1.00 0.00 H new ATOM 376 N LYS A 25 -2.370 -18.163 2.801 1.00 0.00 N ATOM 377 CA LYS A 25 -3.293 -19.138 2.150 1.00 0.00 C ATOM 378 C LYS A 25 -4.601 -18.420 1.819 1.00 0.00 C ATOM 379 O LYS A 25 -4.816 -17.988 0.704 1.00 0.00 O ATOM 380 CB LYS A 25 -3.560 -20.294 3.116 1.00 0.00 C ATOM 381 CG LYS A 25 -4.451 -21.334 2.438 1.00 0.00 C ATOM 382 CD LYS A 25 -4.596 -22.553 3.350 1.00 0.00 C ATOM 383 CE LYS A 25 -5.355 -23.654 2.609 1.00 0.00 C ATOM 384 NZ LYS A 25 -5.670 -24.765 3.552 1.00 0.00 N ATOM 0 H LYS A 25 -2.424 -18.126 3.819 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.851 -19.533 1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.619 -20.751 3.421 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.042 -19.922 4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.431 -20.906 2.226 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.019 -21.631 1.482 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.613 -22.914 3.652 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.129 -22.278 4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.275 -23.253 2.184 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.756 -24.027 1.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.186 -25.513 3.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.786 -25.154 3.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.258 -24.404 4.330 1.00 0.00 H new ATOM 398 N ALA A 26 -5.460 -18.255 2.786 1.00 0.00 N ATOM 399 CA ALA A 26 -6.733 -17.525 2.533 1.00 0.00 C ATOM 400 C ALA A 26 -6.424 -16.025 2.649 1.00 0.00 C ATOM 401 O ALA A 26 -5.452 -15.651 3.276 1.00 0.00 O ATOM 402 CB ALA A 26 -7.782 -17.951 3.581 1.00 0.00 C ATOM 0 H ALA A 26 -5.336 -18.594 3.740 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.135 -17.750 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.715 -17.418 3.399 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.956 -19.024 3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.417 -17.712 4.580 1.00 0.00 H new ATOM 408 N PRO A 27 -7.221 -15.166 2.063 1.00 0.00 N ATOM 409 CA PRO A 27 -6.955 -13.707 2.152 1.00 0.00 C ATOM 410 C PRO A 27 -6.528 -13.293 3.568 1.00 0.00 C ATOM 411 O PRO A 27 -6.983 -13.848 4.549 1.00 0.00 O ATOM 412 CB PRO A 27 -8.316 -13.106 1.756 1.00 0.00 C ATOM 413 CG PRO A 27 -9.173 -14.227 1.122 1.00 0.00 C ATOM 414 CD PRO A 27 -8.424 -15.567 1.285 1.00 0.00 C ATOM 0 HA PRO A 27 -6.134 -13.370 1.519 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.818 -12.692 2.631 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.179 -12.287 1.050 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -10.149 -14.277 1.605 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.350 -14.018 0.067 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -9.024 -16.306 1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.159 -16.004 0.322 1.00 0.00 H new ATOM 422 N LEU A 28 -5.655 -12.331 3.681 1.00 0.00 N ATOM 423 CA LEU A 28 -5.204 -11.902 5.033 1.00 0.00 C ATOM 424 C LEU A 28 -6.419 -11.416 5.820 1.00 0.00 C ATOM 425 O LEU A 28 -6.649 -11.820 6.942 1.00 0.00 O ATOM 426 CB LEU A 28 -4.198 -10.752 4.891 1.00 0.00 C ATOM 427 CG LEU A 28 -2.888 -11.259 4.264 1.00 0.00 C ATOM 428 CD1 LEU A 28 -2.017 -10.056 3.885 1.00 0.00 C ATOM 429 CD2 LEU A 28 -2.121 -12.152 5.259 1.00 0.00 C ATOM 0 H LEU A 28 -5.237 -11.826 2.900 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.730 -12.735 5.552 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.624 -9.963 4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.995 -10.315 5.869 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.124 -11.848 3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.086 -10.407 3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.550 -9.432 3.167 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.795 -9.472 4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.197 -12.501 4.797 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.885 -11.578 6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.738 -13.009 5.529 1.00 0.00 H new ATOM 441 N CYS A 29 -7.205 -10.559 5.230 1.00 0.00 N ATOM 442 CA CYS A 29 -8.420 -10.048 5.926 1.00 0.00 C ATOM 443 C CYS A 29 -9.588 -11.007 5.685 1.00 0.00 C ATOM 444 O CYS A 29 -9.536 -11.865 4.825 1.00 0.00 O ATOM 445 CB CYS A 29 -8.780 -8.666 5.380 1.00 0.00 C ATOM 446 SG CYS A 29 -7.491 -7.481 5.837 1.00 0.00 S ATOM 0 H CYS A 29 -7.058 -10.189 4.291 1.00 0.00 H new ATOM 0 HA CYS A 29 -8.220 -9.977 6.995 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -8.883 -8.707 4.296 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -9.742 -8.345 5.779 1.00 0.00 H new ATOM 451 N ASN A 30 -10.647 -10.861 6.432 1.00 0.00 N ATOM 452 CA ASN A 30 -11.827 -11.752 6.245 1.00 0.00 C ATOM 453 C ASN A 30 -12.474 -11.466 4.886 1.00 0.00 C ATOM 454 O ASN A 30 -13.682 -11.408 4.765 1.00 0.00 O ATOM 455 CB ASN A 30 -12.841 -11.482 7.359 1.00 0.00 C ATOM 456 CG ASN A 30 -12.224 -11.846 8.710 1.00 0.00 C ATOM 457 OD1 ASN A 30 -12.015 -10.989 9.546 1.00 0.00 O ATOM 458 ND2 ASN A 30 -11.924 -13.090 8.963 1.00 0.00 N ATOM 0 H ASN A 30 -10.747 -10.160 7.167 1.00 0.00 H new ATOM 0 HA ASN A 30 -11.509 -12.794 6.281 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.134 -10.432 7.352 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.746 -12.066 7.191 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.514 -13.343 9.862 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.099 -13.810 8.262 1.00 0.00 H new ATOM 465 N GLY A 31 -11.684 -11.280 3.861 1.00 0.00 N ATOM 466 CA GLY A 31 -12.262 -10.989 2.515 1.00 0.00 C ATOM 467 C GLY A 31 -12.585 -9.497 2.420 1.00 0.00 C ATOM 468 O GLY A 31 -13.431 -9.079 1.656 1.00 0.00 O ATOM 0 H GLY A 31 -10.665 -11.317 3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.556 -11.271 1.734 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.164 -11.580 2.358 1.00 0.00 H new ATOM 472 N SER A 32 -11.918 -8.695 3.203 1.00 0.00 N ATOM 473 CA SER A 32 -12.177 -7.227 3.182 1.00 0.00 C ATOM 474 C SER A 32 -11.902 -6.656 1.787 1.00 0.00 C ATOM 475 O SER A 32 -10.960 -7.039 1.118 1.00 0.00 O ATOM 476 CB SER A 32 -11.268 -6.539 4.201 1.00 0.00 C ATOM 477 OG SER A 32 -11.613 -6.977 5.509 1.00 0.00 O ATOM 0 H SER A 32 -11.199 -8.996 3.861 1.00 0.00 H new ATOM 0 HA SER A 32 -13.222 -7.048 3.436 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.224 -6.772 3.990 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.374 -5.457 4.128 1.00 0.00 H new ATOM 0 HG SER A 32 -11.031 -6.539 6.165 1.00 0.00 H new ATOM 483 N MET A 33 -12.724 -5.731 1.352 1.00 0.00 N ATOM 484 CA MET A 33 -12.538 -5.103 0.007 1.00 0.00 C ATOM 485 C MET A 33 -12.062 -3.655 0.205 1.00 0.00 C ATOM 486 O MET A 33 -12.384 -3.023 1.192 1.00 0.00 O ATOM 487 CB MET A 33 -13.883 -5.089 -0.732 1.00 0.00 C ATOM 488 CG MET A 33 -14.406 -6.520 -0.902 1.00 0.00 C ATOM 489 SD MET A 33 -13.402 -7.416 -2.114 1.00 0.00 S ATOM 490 CE MET A 33 -14.160 -6.753 -3.621 1.00 0.00 C ATOM 0 H MET A 33 -13.525 -5.381 1.878 1.00 0.00 H new ATOM 0 HA MET A 33 -11.806 -5.666 -0.572 1.00 0.00 H new ATOM 0 HB2 MET A 33 -14.606 -4.493 -0.175 1.00 0.00 H new ATOM 0 HB3 MET A 33 -13.766 -4.618 -1.708 1.00 0.00 H new ATOM 0 HG2 MET A 33 -14.382 -7.040 0.056 1.00 0.00 H new ATOM 0 HG3 MET A 33 -15.446 -6.498 -1.226 1.00 0.00 H new ATOM 0 HE1 MET A 33 -13.844 -7.347 -4.479 1.00 0.00 H new ATOM 0 HE2 MET A 33 -15.245 -6.795 -3.531 1.00 0.00 H new ATOM 0 HE3 MET A 33 -13.847 -5.718 -3.761 1.00 0.00 H new ATOM 500 N VAL A 34 -11.299 -3.125 -0.724 1.00 0.00 N ATOM 501 CA VAL A 34 -10.796 -1.712 -0.600 1.00 0.00 C ATOM 502 C VAL A 34 -11.077 -0.946 -1.891 1.00 0.00 C ATOM 503 O VAL A 34 -11.295 -1.526 -2.935 1.00 0.00 O ATOM 504 CB VAL A 34 -9.291 -1.712 -0.337 1.00 0.00 C ATOM 505 CG1 VAL A 34 -9.010 -2.404 0.993 1.00 0.00 C ATOM 506 CG2 VAL A 34 -8.577 -2.462 -1.462 1.00 0.00 C ATOM 0 H VAL A 34 -11.000 -3.612 -1.569 1.00 0.00 H new ATOM 0 HA VAL A 34 -11.310 -1.231 0.232 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.928 -0.685 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.937 -2.405 1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.520 -1.871 1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.372 -3.431 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.503 -2.462 -1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -8.939 -3.489 -1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.779 -1.970 -2.413 1.00 0.00 H new ATOM 516 N TRP A 35 -11.079 0.358 -1.824 1.00 0.00 N ATOM 517 CA TRP A 35 -11.353 1.166 -3.045 1.00 0.00 C ATOM 518 C TRP A 35 -10.150 1.105 -3.986 1.00 0.00 C ATOM 519 O TRP A 35 -9.023 1.319 -3.584 1.00 0.00 O ATOM 520 CB TRP A 35 -11.586 2.625 -2.653 1.00 0.00 C ATOM 521 CG TRP A 35 -12.847 2.751 -1.863 1.00 0.00 C ATOM 522 CD1 TRP A 35 -12.922 2.719 -0.513 1.00 0.00 C ATOM 523 CD2 TRP A 35 -14.209 2.939 -2.345 1.00 0.00 C ATOM 524 NE1 TRP A 35 -14.242 2.878 -0.135 1.00 0.00 N ATOM 525 CE2 TRP A 35 -15.074 3.017 -1.228 1.00 0.00 C ATOM 526 CE3 TRP A 35 -14.774 3.049 -3.629 1.00 0.00 C ATOM 527 CZ2 TRP A 35 -16.449 3.198 -1.379 1.00 0.00 C ATOM 528 CZ3 TRP A 35 -16.158 3.229 -3.782 1.00 0.00 C ATOM 529 CH2 TRP A 35 -16.993 3.304 -2.660 1.00 0.00 C ATOM 0 H TRP A 35 -10.903 0.898 -0.977 1.00 0.00 H new ATOM 0 HA TRP A 35 -12.236 0.765 -3.542 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -10.743 2.991 -2.067 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -11.645 3.245 -3.548 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -12.087 2.590 0.160 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -14.562 2.891 0.833 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -14.140 2.995 -4.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -17.088 3.256 -0.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -16.582 3.310 -4.772 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -18.057 3.444 -2.786 1.00 0.00 H new ATOM 540 N SER A 36 -10.381 0.830 -5.239 1.00 0.00 N ATOM 541 CA SER A 36 -9.252 0.776 -6.206 1.00 0.00 C ATOM 542 C SER A 36 -8.725 2.196 -6.426 1.00 0.00 C ATOM 543 O SER A 36 -9.434 3.164 -6.235 1.00 0.00 O ATOM 544 CB SER A 36 -9.737 0.194 -7.532 1.00 0.00 C ATOM 545 OG SER A 36 -10.649 1.100 -8.137 1.00 0.00 O ATOM 0 H SER A 36 -11.302 0.641 -5.634 1.00 0.00 H new ATOM 0 HA SER A 36 -8.457 0.143 -5.813 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.891 0.015 -8.195 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.220 -0.769 -7.365 1.00 0.00 H new ATOM 0 HG SER A 36 -10.961 0.730 -8.989 1.00 0.00 H new ATOM 551 N ILE A 37 -7.486 2.330 -6.821 1.00 0.00 N ATOM 552 CA ILE A 37 -6.903 3.690 -7.051 1.00 0.00 C ATOM 553 C ILE A 37 -6.057 3.689 -8.322 1.00 0.00 C ATOM 554 O ILE A 37 -5.697 2.652 -8.842 1.00 0.00 O ATOM 555 CB ILE A 37 -6.019 4.069 -5.861 1.00 0.00 C ATOM 556 CG1 ILE A 37 -5.047 2.919 -5.557 1.00 0.00 C ATOM 557 CG2 ILE A 37 -6.894 4.341 -4.637 1.00 0.00 C ATOM 558 CD1 ILE A 37 -3.907 3.429 -4.673 1.00 0.00 C ATOM 0 H ILE A 37 -6.848 1.554 -6.996 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.713 4.411 -7.159 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.451 4.967 -6.103 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.574 2.107 -5.056 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.646 2.513 -6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.262 4.611 -3.791 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.579 5.161 -4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -7.466 3.446 -4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.219 2.611 -4.459 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.373 4.226 -5.191 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.315 3.814 -3.738 1.00 0.00 H new ATOM 570 N ASN A 38 -5.718 4.850 -8.813 1.00 0.00 N ATOM 571 CA ASN A 38 -4.871 4.931 -10.035 1.00 0.00 C ATOM 572 C ASN A 38 -3.411 4.947 -9.590 1.00 0.00 C ATOM 573 O ASN A 38 -2.976 5.843 -8.894 1.00 0.00 O ATOM 574 CB ASN A 38 -5.192 6.216 -10.802 1.00 0.00 C ATOM 575 CG ASN A 38 -4.387 6.249 -12.103 1.00 0.00 C ATOM 576 OD1 ASN A 38 -3.859 5.242 -12.530 1.00 0.00 O ATOM 577 ND2 ASN A 38 -4.272 7.373 -12.755 1.00 0.00 N ATOM 0 H ASN A 38 -5.993 5.749 -8.418 1.00 0.00 H new ATOM 0 HA ASN A 38 -5.061 4.080 -10.689 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.259 6.265 -11.021 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.952 7.086 -10.191 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.739 7.406 -13.624 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -4.716 8.218 -12.396 1.00 0.00 H new ATOM 584 N LEU A 39 -2.653 3.953 -9.959 1.00 0.00 N ATOM 585 CA LEU A 39 -1.232 3.912 -9.522 1.00 0.00 C ATOM 586 C LEU A 39 -0.396 4.866 -10.379 1.00 0.00 C ATOM 587 O LEU A 39 -0.279 4.705 -11.578 1.00 0.00 O ATOM 588 CB LEU A 39 -0.686 2.484 -9.671 1.00 0.00 C ATOM 589 CG LEU A 39 -1.374 1.517 -8.682 1.00 0.00 C ATOM 590 CD1 LEU A 39 -1.185 1.993 -7.229 1.00 0.00 C ATOM 591 CD2 LEU A 39 -2.875 1.407 -9.008 1.00 0.00 C ATOM 0 H LEU A 39 -2.955 3.172 -10.541 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.173 4.218 -8.478 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.843 2.137 -10.692 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.390 2.483 -9.496 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.912 0.535 -8.786 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.678 1.296 -6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.121 2.035 -6.995 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.622 2.985 -7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.351 0.723 -8.305 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.338 2.390 -8.927 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.000 1.029 -10.023 1.00 0.00 H new ATOM 603 N THR A 40 0.194 5.860 -9.760 1.00 0.00 N ATOM 604 CA THR A 40 1.038 6.839 -10.511 1.00 0.00 C ATOM 605 C THR A 40 2.237 7.236 -9.642 1.00 0.00 C ATOM 606 O THR A 40 3.212 6.515 -9.553 1.00 0.00 O ATOM 607 CB THR A 40 0.213 8.088 -10.837 1.00 0.00 C ATOM 608 OG1 THR A 40 -0.468 8.521 -9.668 1.00 0.00 O ATOM 609 CG2 THR A 40 -0.805 7.767 -11.934 1.00 0.00 C ATOM 0 H THR A 40 0.126 6.035 -8.758 1.00 0.00 H new ATOM 0 HA THR A 40 1.386 6.385 -11.439 1.00 0.00 H new ATOM 0 HB THR A 40 0.878 8.878 -11.187 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.995 9.321 -9.874 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.388 8.659 -12.161 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.281 7.438 -12.831 1.00 0.00 H new ATOM 0 HG23 THR A 40 -1.471 6.975 -11.592 1.00 0.00 H new ATOM 617 N ALA A 41 2.171 8.382 -8.999 1.00 0.00 N ATOM 618 CA ALA A 41 3.305 8.843 -8.129 1.00 0.00 C ATOM 619 C ALA A 41 2.867 8.861 -6.658 1.00 0.00 C ATOM 620 O ALA A 41 3.435 8.184 -5.824 1.00 0.00 O ATOM 621 CB ALA A 41 3.715 10.259 -8.543 1.00 0.00 C ATOM 0 H ALA A 41 1.376 9.020 -9.040 1.00 0.00 H new ATOM 0 HA ALA A 41 4.145 8.159 -8.247 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.538 10.598 -7.914 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.033 10.256 -9.586 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.866 10.933 -8.424 1.00 0.00 H new ATOM 627 N GLY A 42 1.869 9.640 -6.333 1.00 0.00 N ATOM 628 CA GLY A 42 1.400 9.714 -4.915 1.00 0.00 C ATOM 629 C GLY A 42 0.691 8.415 -4.533 1.00 0.00 C ATOM 630 O GLY A 42 -0.305 8.420 -3.838 1.00 0.00 O ATOM 0 H GLY A 42 1.357 10.230 -6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.247 9.885 -4.251 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.722 10.559 -4.791 1.00 0.00 H new ATOM 634 N MET A 43 1.194 7.304 -4.988 1.00 0.00 N ATOM 635 CA MET A 43 0.551 6.001 -4.663 1.00 0.00 C ATOM 636 C MET A 43 0.546 5.787 -3.148 1.00 0.00 C ATOM 637 O MET A 43 -0.407 5.288 -2.584 1.00 0.00 O ATOM 638 CB MET A 43 1.347 4.878 -5.322 1.00 0.00 C ATOM 639 CG MET A 43 1.396 5.121 -6.827 1.00 0.00 C ATOM 640 SD MET A 43 2.158 3.700 -7.645 1.00 0.00 S ATOM 641 CE MET A 43 3.776 3.832 -6.849 1.00 0.00 C ATOM 0 H MET A 43 2.027 7.241 -5.574 1.00 0.00 H new ATOM 0 HA MET A 43 -0.475 6.002 -5.030 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.357 4.842 -4.913 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.884 3.914 -5.111 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.389 5.279 -7.213 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.965 6.025 -7.041 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.545 3.452 -7.522 1.00 0.00 H new ATOM 0 HE2 MET A 43 3.982 4.876 -6.615 1.00 0.00 H new ATOM 0 HE3 MET A 43 3.778 3.247 -5.929 1.00 0.00 H new ATOM 651 N TYR A 44 1.611 6.148 -2.487 1.00 0.00 N ATOM 652 CA TYR A 44 1.681 5.951 -1.011 1.00 0.00 C ATOM 653 C TYR A 44 0.552 6.731 -0.327 1.00 0.00 C ATOM 654 O TYR A 44 -0.120 6.223 0.549 1.00 0.00 O ATOM 655 CB TYR A 44 3.033 6.457 -0.506 1.00 0.00 C ATOM 656 CG TYR A 44 4.140 5.616 -1.100 1.00 0.00 C ATOM 657 CD1 TYR A 44 4.698 5.963 -2.337 1.00 0.00 C ATOM 658 CD2 TYR A 44 4.605 4.485 -0.418 1.00 0.00 C ATOM 659 CE1 TYR A 44 5.721 5.181 -2.890 1.00 0.00 C ATOM 660 CE2 TYR A 44 5.627 3.703 -0.970 1.00 0.00 C ATOM 661 CZ TYR A 44 6.185 4.051 -2.206 1.00 0.00 C ATOM 662 OH TYR A 44 7.193 3.280 -2.749 1.00 0.00 O ATOM 0 H TYR A 44 2.438 6.572 -2.906 1.00 0.00 H new ATOM 0 HA TYR A 44 1.571 4.892 -0.778 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.168 7.503 -0.782 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.068 6.408 0.582 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.339 6.834 -2.865 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.175 4.215 0.535 1.00 0.00 H new ATOM 0 HE1 TYR A 44 6.151 5.450 -3.843 1.00 0.00 H new ATOM 0 HE2 TYR A 44 5.985 2.831 -0.442 1.00 0.00 H new ATOM 0 HH TYR A 44 7.960 3.267 -2.139 1.00 0.00 H new ATOM 672 N CYS A 45 0.333 7.957 -0.719 1.00 0.00 N ATOM 673 CA CYS A 45 -0.757 8.757 -0.088 1.00 0.00 C ATOM 674 C CYS A 45 -2.109 8.155 -0.478 1.00 0.00 C ATOM 675 O CYS A 45 -2.947 7.884 0.359 1.00 0.00 O ATOM 676 CB CYS A 45 -0.678 10.207 -0.571 1.00 0.00 C ATOM 677 SG CYS A 45 0.675 11.053 0.286 1.00 0.00 S ATOM 0 H CYS A 45 0.860 8.439 -1.447 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.647 8.737 0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -0.515 10.235 -1.648 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -1.621 10.718 -0.378 1.00 0.00 H new ATOM 682 N ALA A 46 -2.325 7.945 -1.749 1.00 0.00 N ATOM 683 CA ALA A 46 -3.619 7.362 -2.205 1.00 0.00 C ATOM 684 C ALA A 46 -3.817 5.976 -1.587 1.00 0.00 C ATOM 685 O ALA A 46 -4.871 5.656 -1.072 1.00 0.00 O ATOM 686 CB ALA A 46 -3.605 7.235 -3.731 1.00 0.00 C ATOM 0 H ALA A 46 -1.659 8.153 -2.493 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.435 8.014 -1.892 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.550 6.809 -4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.471 8.221 -4.177 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.784 6.585 -4.034 1.00 0.00 H new ATOM 692 N ALA A 47 -2.816 5.146 -1.648 1.00 0.00 N ATOM 693 CA ALA A 47 -2.942 3.775 -1.081 1.00 0.00 C ATOM 694 C ALA A 47 -3.206 3.841 0.427 1.00 0.00 C ATOM 695 O ALA A 47 -3.972 3.066 0.965 1.00 0.00 O ATOM 696 CB ALA A 47 -1.648 2.996 -1.338 1.00 0.00 C ATOM 0 H ALA A 47 -1.911 5.358 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.780 3.271 -1.563 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.739 1.992 -0.923 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.470 2.930 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.813 3.511 -0.862 1.00 0.00 H new ATOM 702 N LEU A 48 -2.560 4.738 1.118 1.00 0.00 N ATOM 703 CA LEU A 48 -2.756 4.823 2.594 1.00 0.00 C ATOM 704 C LEU A 48 -4.228 5.112 2.928 1.00 0.00 C ATOM 705 O LEU A 48 -4.819 4.439 3.748 1.00 0.00 O ATOM 706 CB LEU A 48 -1.859 5.935 3.157 1.00 0.00 C ATOM 707 CG LEU A 48 -2.033 6.054 4.681 1.00 0.00 C ATOM 708 CD1 LEU A 48 -1.631 4.736 5.366 1.00 0.00 C ATOM 709 CD2 LEU A 48 -1.142 7.191 5.197 1.00 0.00 C ATOM 0 H LEU A 48 -1.906 5.415 0.726 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.486 3.869 3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.816 5.723 2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.107 6.884 2.682 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.078 6.265 4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.758 4.833 6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.262 3.927 4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.588 4.513 5.143 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.259 7.283 6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.100 6.972 4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.433 8.127 4.720 1.00 0.00 H new ATOM 721 N GLU A 49 -4.831 6.101 2.318 1.00 0.00 N ATOM 722 CA GLU A 49 -6.260 6.395 2.644 1.00 0.00 C ATOM 723 C GLU A 49 -7.135 5.181 2.332 1.00 0.00 C ATOM 724 O GLU A 49 -8.043 4.859 3.072 1.00 0.00 O ATOM 725 CB GLU A 49 -6.762 7.613 1.859 1.00 0.00 C ATOM 726 CG GLU A 49 -6.376 7.502 0.384 1.00 0.00 C ATOM 727 CD GLU A 49 -6.950 8.703 -0.374 1.00 0.00 C ATOM 728 OE1 GLU A 49 -7.807 9.372 0.180 1.00 0.00 O ATOM 729 OE2 GLU A 49 -6.525 8.934 -1.494 1.00 0.00 O ATOM 0 H GLU A 49 -4.404 6.709 1.619 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.324 6.619 3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.845 7.690 1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.340 8.524 2.283 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.291 7.475 0.280 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.760 6.573 -0.037 1.00 0.00 H new ATOM 736 N SER A 50 -6.880 4.503 1.249 1.00 0.00 N ATOM 737 CA SER A 50 -7.714 3.315 0.917 1.00 0.00 C ATOM 738 C SER A 50 -7.543 2.252 2.009 1.00 0.00 C ATOM 739 O SER A 50 -8.488 1.602 2.409 1.00 0.00 O ATOM 740 CB SER A 50 -7.273 2.743 -0.431 1.00 0.00 C ATOM 741 OG SER A 50 -7.555 3.687 -1.456 1.00 0.00 O ATOM 0 H SER A 50 -6.137 4.717 0.584 1.00 0.00 H new ATOM 0 HA SER A 50 -8.762 3.609 0.858 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.207 2.517 -0.412 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.794 1.806 -0.630 1.00 0.00 H new ATOM 0 HG SER A 50 -6.845 4.362 -1.483 1.00 0.00 H new ATOM 747 N LEU A 51 -6.343 2.073 2.494 1.00 0.00 N ATOM 748 CA LEU A 51 -6.104 1.055 3.560 1.00 0.00 C ATOM 749 C LEU A 51 -6.742 1.514 4.877 1.00 0.00 C ATOM 750 O LEU A 51 -7.271 0.719 5.628 1.00 0.00 O ATOM 751 CB LEU A 51 -4.598 0.864 3.762 1.00 0.00 C ATOM 752 CG LEU A 51 -3.984 0.153 2.543 1.00 0.00 C ATOM 753 CD1 LEU A 51 -2.456 0.195 2.652 1.00 0.00 C ATOM 754 CD2 LEU A 51 -4.456 -1.316 2.478 1.00 0.00 C ATOM 0 H LEU A 51 -5.515 2.589 2.197 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.553 0.110 3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.118 1.832 3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.416 0.279 4.663 1.00 0.00 H new ATOM 0 HG LEU A 51 -4.307 0.663 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.016 -0.307 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.121 1.232 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.142 -0.310 3.566 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.012 -1.803 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.147 -1.838 3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.542 -1.346 2.394 1.00 0.00 H new ATOM 766 N ILE A 52 -6.691 2.787 5.170 1.00 0.00 N ATOM 767 CA ILE A 52 -7.289 3.283 6.444 1.00 0.00 C ATOM 768 C ILE A 52 -8.739 2.798 6.544 1.00 0.00 C ATOM 769 O ILE A 52 -9.360 2.883 7.585 1.00 0.00 O ATOM 770 CB ILE A 52 -7.221 4.826 6.474 1.00 0.00 C ATOM 771 CG1 ILE A 52 -5.781 5.290 6.792 1.00 0.00 C ATOM 772 CG2 ILE A 52 -8.189 5.402 7.517 1.00 0.00 C ATOM 773 CD1 ILE A 52 -5.300 4.760 8.158 1.00 0.00 C ATOM 0 H ILE A 52 -6.262 3.503 4.584 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.733 2.895 7.297 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.513 5.194 5.490 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.106 4.944 6.009 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.741 6.379 6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -8.120 6.490 7.516 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -9.208 5.103 7.272 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -7.927 5.023 8.505 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.284 5.107 8.346 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.960 5.127 8.944 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.315 3.670 8.151 1.00 0.00 H new ATOM 785 N ASN A 53 -9.279 2.270 5.478 1.00 0.00 N ATOM 786 CA ASN A 53 -10.680 1.760 5.529 1.00 0.00 C ATOM 787 C ASN A 53 -10.658 0.314 6.031 1.00 0.00 C ATOM 788 O ASN A 53 -11.657 -0.219 6.470 1.00 0.00 O ATOM 789 CB ASN A 53 -11.293 1.809 4.128 1.00 0.00 C ATOM 790 CG ASN A 53 -11.456 3.267 3.695 1.00 0.00 C ATOM 791 OD1 ASN A 53 -11.995 4.073 4.427 1.00 0.00 O ATOM 792 ND2 ASN A 53 -11.006 3.643 2.530 1.00 0.00 N ATOM 0 H ASN A 53 -8.812 2.170 4.577 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.277 2.376 6.201 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.656 1.277 3.421 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.260 1.307 4.125 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.107 4.614 2.233 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.553 2.966 1.915 1.00 0.00 H new ATOM 799 N VAL A 54 -9.514 -0.320 5.975 1.00 0.00 N ATOM 800 CA VAL A 54 -9.403 -1.731 6.457 1.00 0.00 C ATOM 801 C VAL A 54 -8.945 -1.725 7.917 1.00 0.00 C ATOM 802 O VAL A 54 -7.877 -1.241 8.234 1.00 0.00 O ATOM 803 CB VAL A 54 -8.371 -2.477 5.607 1.00 0.00 C ATOM 804 CG1 VAL A 54 -8.329 -3.949 6.018 1.00 0.00 C ATOM 805 CG2 VAL A 54 -8.760 -2.375 4.134 1.00 0.00 C ATOM 0 H VAL A 54 -8.648 0.081 5.615 1.00 0.00 H new ATOM 0 HA VAL A 54 -10.370 -2.226 6.375 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.388 -2.031 5.760 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.593 -4.476 5.410 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.053 -4.025 7.070 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.311 -4.397 5.868 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.027 -2.905 3.526 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.744 -2.820 3.986 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -8.787 -1.327 3.837 1.00 0.00 H new ATOM 815 N SER A 55 -9.744 -2.260 8.809 1.00 0.00 N ATOM 816 CA SER A 55 -9.363 -2.291 10.259 1.00 0.00 C ATOM 817 C SER A 55 -9.510 -3.714 10.797 1.00 0.00 C ATOM 818 O SER A 55 -10.363 -4.467 10.368 1.00 0.00 O ATOM 819 CB SER A 55 -10.283 -1.356 11.046 1.00 0.00 C ATOM 820 OG SER A 55 -10.119 -0.027 10.569 1.00 0.00 O ATOM 0 H SER A 55 -10.649 -2.679 8.595 1.00 0.00 H new ATOM 0 HA SER A 55 -8.328 -1.966 10.368 1.00 0.00 H new ATOM 0 HB2 SER A 55 -11.321 -1.669 10.935 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.048 -1.405 12.109 1.00 0.00 H new ATOM 0 HG SER A 55 -10.708 0.575 11.070 1.00 0.00 H new ATOM 826 N GLY A 56 -8.684 -4.087 11.741 1.00 0.00 N ATOM 827 CA GLY A 56 -8.766 -5.462 12.323 1.00 0.00 C ATOM 828 C GLY A 56 -7.748 -6.383 11.644 1.00 0.00 C ATOM 829 O GLY A 56 -7.557 -7.511 12.053 1.00 0.00 O ATOM 0 H GLY A 56 -7.953 -3.496 12.136 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.574 -5.423 13.395 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.772 -5.861 12.193 1.00 0.00 H new ATOM 833 N CYS A 57 -7.091 -5.917 10.609 1.00 0.00 N ATOM 834 CA CYS A 57 -6.083 -6.773 9.905 1.00 0.00 C ATOM 835 C CYS A 57 -4.668 -6.399 10.365 1.00 0.00 C ATOM 836 O CYS A 57 -4.017 -5.556 9.781 1.00 0.00 O ATOM 837 CB CYS A 57 -6.191 -6.557 8.394 1.00 0.00 C ATOM 838 SG CYS A 57 -7.802 -7.131 7.803 1.00 0.00 S ATOM 0 H CYS A 57 -7.209 -4.981 10.221 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.279 -7.819 10.143 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -6.063 -5.500 8.159 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -5.393 -7.096 7.883 1.00 0.00 H new ATOM 843 N SER A 58 -4.187 -7.031 11.400 1.00 0.00 N ATOM 844 CA SER A 58 -2.811 -6.732 11.899 1.00 0.00 C ATOM 845 C SER A 58 -1.787 -7.048 10.804 1.00 0.00 C ATOM 846 O SER A 58 -0.791 -6.369 10.649 1.00 0.00 O ATOM 847 CB SER A 58 -2.521 -7.601 13.123 1.00 0.00 C ATOM 848 OG SER A 58 -1.281 -7.209 13.697 1.00 0.00 O ATOM 0 H SER A 58 -4.690 -7.746 11.926 1.00 0.00 H new ATOM 0 HA SER A 58 -2.743 -5.678 12.167 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.322 -7.497 13.855 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.486 -8.652 12.836 1.00 0.00 H new ATOM 0 HG SER A 58 -1.094 -7.764 14.483 1.00 0.00 H new ATOM 854 N ALA A 59 -2.020 -8.094 10.063 1.00 0.00 N ATOM 855 CA ALA A 59 -1.066 -8.501 8.990 1.00 0.00 C ATOM 856 C ALA A 59 -0.689 -7.315 8.093 1.00 0.00 C ATOM 857 O ALA A 59 0.311 -7.362 7.404 1.00 0.00 O ATOM 858 CB ALA A 59 -1.715 -9.588 8.132 1.00 0.00 C ATOM 0 H ALA A 59 -2.841 -8.693 10.155 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.158 -8.873 9.464 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.024 -9.891 7.345 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.955 -10.449 8.756 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.629 -9.200 7.683 1.00 0.00 H new ATOM 864 N ILE A 60 -1.468 -6.256 8.085 1.00 0.00 N ATOM 865 CA ILE A 60 -1.134 -5.075 7.215 1.00 0.00 C ATOM 866 C ILE A 60 -1.067 -3.818 8.075 1.00 0.00 C ATOM 867 O ILE A 60 -0.753 -2.745 7.602 1.00 0.00 O ATOM 868 CB ILE A 60 -2.210 -4.912 6.135 1.00 0.00 C ATOM 869 CG1 ILE A 60 -3.577 -4.670 6.790 1.00 0.00 C ATOM 870 CG2 ILE A 60 -2.263 -6.187 5.287 1.00 0.00 C ATOM 871 CD1 ILE A 60 -4.641 -4.485 5.706 1.00 0.00 C ATOM 0 H ILE A 60 -2.318 -6.157 8.640 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.169 -5.235 6.734 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.966 -4.058 5.503 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.839 -5.512 7.430 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.535 -3.786 7.427 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.026 -6.080 4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.293 -6.352 4.817 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.507 -7.037 5.924 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.611 -4.313 6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.381 -3.629 5.084 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.690 -5.381 5.088 1.00 0.00 H new ATOM 883 N GLU A 61 -1.351 -3.944 9.339 1.00 0.00 N ATOM 884 CA GLU A 61 -1.291 -2.756 10.225 1.00 0.00 C ATOM 885 C GLU A 61 0.133 -2.198 10.201 1.00 0.00 C ATOM 886 O GLU A 61 0.341 -1.004 10.115 1.00 0.00 O ATOM 887 CB GLU A 61 -1.684 -3.173 11.644 1.00 0.00 C ATOM 888 CG GLU A 61 -1.505 -1.997 12.592 1.00 0.00 C ATOM 889 CD GLU A 61 -2.098 -2.341 13.960 1.00 0.00 C ATOM 890 OE1 GLU A 61 -2.614 -3.437 14.103 1.00 0.00 O ATOM 891 OE2 GLU A 61 -2.027 -1.501 14.842 1.00 0.00 O ATOM 0 H GLU A 61 -1.621 -4.816 9.794 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.981 -1.985 9.883 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.720 -3.511 11.660 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.070 -4.012 11.970 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.446 -1.758 12.694 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.994 -1.112 12.185 1.00 0.00 H new ATOM 898 N LYS A 62 1.116 -3.055 10.245 1.00 0.00 N ATOM 899 CA LYS A 62 2.526 -2.576 10.189 1.00 0.00 C ATOM 900 C LYS A 62 2.761 -1.887 8.845 1.00 0.00 C ATOM 901 O LYS A 62 3.445 -0.888 8.753 1.00 0.00 O ATOM 902 CB LYS A 62 3.487 -3.758 10.329 1.00 0.00 C ATOM 903 CG LYS A 62 3.424 -4.301 11.756 1.00 0.00 C ATOM 904 CD LYS A 62 4.386 -5.482 11.894 1.00 0.00 C ATOM 905 CE LYS A 62 4.324 -6.028 13.321 1.00 0.00 C ATOM 906 NZ LYS A 62 2.921 -6.411 13.647 1.00 0.00 N ATOM 0 H LYS A 62 1.004 -4.066 10.317 1.00 0.00 H new ATOM 0 HA LYS A 62 2.705 -1.876 11.005 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.223 -4.541 9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.504 -3.444 10.093 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.688 -3.518 12.467 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.408 -4.616 11.992 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.122 -6.264 11.182 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.402 -5.166 11.658 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.980 -6.893 13.420 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.680 -5.276 14.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.921 -7.101 14.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.388 -5.565 13.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.473 -6.835 12.809 1.00 0.00 H new ATOM 920 N THR A 63 2.201 -2.429 7.798 1.00 0.00 N ATOM 921 CA THR A 63 2.387 -1.832 6.446 1.00 0.00 C ATOM 922 C THR A 63 1.865 -0.394 6.444 1.00 0.00 C ATOM 923 O THR A 63 2.449 0.484 5.840 1.00 0.00 O ATOM 924 CB THR A 63 1.626 -2.664 5.410 1.00 0.00 C ATOM 925 OG1 THR A 63 2.124 -3.995 5.418 1.00 0.00 O ATOM 926 CG2 THR A 63 1.827 -2.060 4.020 1.00 0.00 C ATOM 0 H THR A 63 1.618 -3.266 7.822 1.00 0.00 H new ATOM 0 HA THR A 63 3.447 -1.827 6.193 1.00 0.00 H new ATOM 0 HB THR A 63 0.564 -2.666 5.656 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.637 -4.530 4.757 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.285 -2.653 3.284 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.451 -1.037 4.010 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.889 -2.059 3.774 1.00 0.00 H new ATOM 934 N GLN A 64 0.770 -0.140 7.108 1.00 0.00 N ATOM 935 CA GLN A 64 0.227 1.248 7.127 1.00 0.00 C ATOM 936 C GLN A 64 1.264 2.195 7.737 1.00 0.00 C ATOM 937 O GLN A 64 1.454 3.301 7.269 1.00 0.00 O ATOM 938 CB GLN A 64 -1.058 1.286 7.960 1.00 0.00 C ATOM 939 CG GLN A 64 -2.171 0.545 7.215 1.00 0.00 C ATOM 940 CD GLN A 64 -3.437 0.519 8.074 1.00 0.00 C ATOM 941 OE1 GLN A 64 -3.375 0.694 9.275 1.00 0.00 O ATOM 942 NE2 GLN A 64 -4.593 0.310 7.504 1.00 0.00 N ATOM 0 H GLN A 64 0.231 -0.828 7.634 1.00 0.00 H new ATOM 0 HA GLN A 64 0.005 1.564 6.108 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.887 0.825 8.933 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -1.354 2.319 8.144 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.375 1.037 6.264 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -1.854 -0.472 6.986 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.645 0.163 6.496 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.444 0.294 8.067 1.00 0.00 H new ATOM 951 N ARG A 65 1.947 1.775 8.767 1.00 0.00 N ATOM 952 CA ARG A 65 2.977 2.663 9.380 1.00 0.00 C ATOM 953 C ARG A 65 4.114 2.902 8.380 1.00 0.00 C ATOM 954 O ARG A 65 4.595 4.007 8.228 1.00 0.00 O ATOM 955 CB ARG A 65 3.544 1.999 10.637 1.00 0.00 C ATOM 956 CG ARG A 65 2.485 1.984 11.741 1.00 0.00 C ATOM 957 CD ARG A 65 3.056 1.287 12.978 1.00 0.00 C ATOM 958 NE ARG A 65 4.324 1.960 13.382 1.00 0.00 N ATOM 959 CZ ARG A 65 4.866 1.696 14.540 1.00 0.00 C ATOM 960 NH1 ARG A 65 4.299 0.841 15.346 1.00 0.00 N ATOM 961 NH2 ARG A 65 5.976 2.285 14.891 1.00 0.00 N ATOM 0 H ARG A 65 1.838 0.862 9.208 1.00 0.00 H new ATOM 0 HA ARG A 65 2.517 3.615 9.644 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.860 0.981 10.410 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.428 2.539 10.977 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.186 3.003 11.988 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.591 1.464 11.397 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.335 1.323 13.795 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.242 0.235 12.763 1.00 0.00 H new ATOM 0 HE ARG A 65 4.769 2.628 12.752 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.432 0.379 15.071 1.00 0.00 H new ATOM 0 HH12 ARG A 65 4.723 0.635 16.251 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.421 2.952 14.261 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.399 2.078 15.796 1.00 0.00 H new ATOM 975 N MET A 66 4.551 1.873 7.703 1.00 0.00 N ATOM 976 CA MET A 66 5.662 2.040 6.721 1.00 0.00 C ATOM 977 C MET A 66 5.212 2.931 5.554 1.00 0.00 C ATOM 978 O MET A 66 5.959 3.762 5.077 1.00 0.00 O ATOM 979 CB MET A 66 6.102 0.664 6.200 1.00 0.00 C ATOM 980 CG MET A 66 6.815 -0.103 7.324 1.00 0.00 C ATOM 981 SD MET A 66 7.598 -1.598 6.660 1.00 0.00 S ATOM 982 CE MET A 66 6.097 -2.569 6.384 1.00 0.00 C ATOM 0 H MET A 66 4.186 0.924 7.788 1.00 0.00 H new ATOM 0 HA MET A 66 6.506 2.520 7.216 1.00 0.00 H new ATOM 0 HB2 MET A 66 5.236 0.100 5.853 1.00 0.00 H new ATOM 0 HB3 MET A 66 6.769 0.782 5.346 1.00 0.00 H new ATOM 0 HG2 MET A 66 7.567 0.534 7.789 1.00 0.00 H new ATOM 0 HG3 MET A 66 6.100 -0.372 8.101 1.00 0.00 H new ATOM 0 HE1 MET A 66 6.367 -3.601 6.159 1.00 0.00 H new ATOM 0 HE2 MET A 66 5.477 -2.544 7.280 1.00 0.00 H new ATOM 0 HE3 MET A 66 5.541 -2.149 5.546 1.00 0.00 H new ATOM 992 N LEU A 67 3.999 2.769 5.093 1.00 0.00 N ATOM 993 CA LEU A 67 3.508 3.612 3.959 1.00 0.00 C ATOM 994 C LEU A 67 3.525 5.087 4.364 1.00 0.00 C ATOM 995 O LEU A 67 3.871 5.951 3.583 1.00 0.00 O ATOM 996 CB LEU A 67 2.075 3.210 3.595 1.00 0.00 C ATOM 997 CG LEU A 67 2.054 1.819 2.940 1.00 0.00 C ATOM 998 CD1 LEU A 67 0.603 1.343 2.835 1.00 0.00 C ATOM 999 CD2 LEU A 67 2.668 1.878 1.525 1.00 0.00 C ATOM 0 H LEU A 67 3.327 2.091 5.451 1.00 0.00 H new ATOM 0 HA LEU A 67 4.161 3.461 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.454 3.206 4.491 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.647 3.945 2.914 1.00 0.00 H new ATOM 0 HG LEU A 67 2.639 1.130 3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.576 0.357 2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.165 1.288 3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.033 2.045 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.645 0.885 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.093 2.568 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.700 2.223 1.590 1.00 0.00 H new ATOM 1011 N SER A 68 3.150 5.382 5.576 1.00 0.00 N ATOM 1012 CA SER A 68 3.140 6.800 6.027 1.00 0.00 C ATOM 1013 C SER A 68 4.551 7.372 5.909 1.00 0.00 C ATOM 1014 O SER A 68 4.741 8.509 5.526 1.00 0.00 O ATOM 1015 CB SER A 68 2.679 6.872 7.483 1.00 0.00 C ATOM 1016 OG SER A 68 1.300 6.534 7.554 1.00 0.00 O ATOM 0 H SER A 68 2.850 4.702 6.274 1.00 0.00 H new ATOM 0 HA SER A 68 2.456 7.378 5.405 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.265 6.188 8.097 1.00 0.00 H new ATOM 0 HB3 SER A 68 2.841 7.875 7.879 1.00 0.00 H new ATOM 0 HG SER A 68 1.196 5.564 7.461 1.00 0.00 H new ATOM 1022 N GLY A 69 5.544 6.593 6.235 1.00 0.00 N ATOM 1023 CA GLY A 69 6.943 7.096 6.141 1.00 0.00 C ATOM 1024 C GLY A 69 7.167 7.731 4.766 1.00 0.00 C ATOM 1025 O GLY A 69 7.947 8.651 4.620 1.00 0.00 O ATOM 0 H GLY A 69 5.448 5.632 6.562 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.131 7.828 6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.646 6.277 6.294 1.00 0.00 H new ATOM 1029 N PHE A 70 6.482 7.259 3.754 1.00 0.00 N ATOM 1030 CA PHE A 70 6.653 7.853 2.391 1.00 0.00 C ATOM 1031 C PHE A 70 5.580 8.917 2.166 1.00 0.00 C ATOM 1032 O PHE A 70 5.687 9.740 1.278 1.00 0.00 O ATOM 1033 CB PHE A 70 6.491 6.770 1.321 1.00 0.00 C ATOM 1034 CG PHE A 70 7.666 5.825 1.345 1.00 0.00 C ATOM 1035 CD1 PHE A 70 8.801 6.107 0.576 1.00 0.00 C ATOM 1036 CD2 PHE A 70 7.616 4.659 2.118 1.00 0.00 C ATOM 1037 CE1 PHE A 70 9.887 5.226 0.580 1.00 0.00 C ATOM 1038 CE2 PHE A 70 8.704 3.778 2.125 1.00 0.00 C ATOM 1039 CZ PHE A 70 9.839 4.060 1.355 1.00 0.00 C ATOM 0 H PHE A 70 5.814 6.491 3.812 1.00 0.00 H new ATOM 0 HA PHE A 70 7.648 8.293 2.321 1.00 0.00 H new ATOM 0 HB2 PHE A 70 5.568 6.216 1.492 1.00 0.00 H new ATOM 0 HB3 PHE A 70 6.408 7.232 0.337 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.838 7.006 -0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.739 4.439 2.708 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.762 5.444 -0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.668 2.880 2.725 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.677 3.379 1.359 1.00 0.00 H new ATOM 1049 N CYS A 71 4.540 8.904 2.963 1.00 0.00 N ATOM 1050 CA CYS A 71 3.440 9.906 2.802 1.00 0.00 C ATOM 1051 C CYS A 71 3.027 10.450 4.187 1.00 0.00 C ATOM 1052 O CYS A 71 2.191 9.861 4.842 1.00 0.00 O ATOM 1053 CB CYS A 71 2.227 9.218 2.135 1.00 0.00 C ATOM 1054 SG CYS A 71 2.151 9.673 0.381 1.00 0.00 S ATOM 0 H CYS A 71 4.405 8.238 3.723 1.00 0.00 H new ATOM 0 HA CYS A 71 3.784 10.733 2.181 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.310 8.136 2.236 1.00 0.00 H new ATOM 0 HB3 CYS A 71 1.307 9.516 2.638 1.00 0.00 H new ATOM 1059 N PRO A 72 3.578 11.567 4.626 1.00 0.00 N ATOM 1060 CA PRO A 72 3.187 12.159 5.945 1.00 0.00 C ATOM 1061 C PRO A 72 1.699 12.538 5.974 1.00 0.00 C ATOM 1062 O PRO A 72 1.317 13.560 6.508 1.00 0.00 O ATOM 1063 CB PRO A 72 4.074 13.417 6.016 1.00 0.00 C ATOM 1064 CG PRO A 72 5.134 13.316 4.908 1.00 0.00 C ATOM 1065 CD PRO A 72 4.624 12.312 3.866 1.00 0.00 C ATOM 0 HA PRO A 72 3.323 11.474 6.782 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.471 14.316 5.885 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.551 13.492 6.993 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.303 14.291 4.450 1.00 0.00 H new ATOM 0 HG3 PRO A 72 6.088 12.988 5.320 1.00 0.00 H new ATOM 0 HD2 PRO A 72 4.211 12.811 2.989 1.00 0.00 H new ATOM 0 HD3 PRO A 72 5.418 11.653 3.514 1.00 0.00 H new ATOM 1073 N HIS A 73 0.868 11.747 5.359 1.00 0.00 N ATOM 1074 CA HIS A 73 -0.580 12.074 5.293 1.00 0.00 C ATOM 1075 C HIS A 73 -1.336 11.475 6.485 1.00 0.00 C ATOM 1076 O HIS A 73 -1.678 10.309 6.493 1.00 0.00 O ATOM 1077 CB HIS A 73 -1.136 11.489 3.970 1.00 0.00 C ATOM 1078 CG HIS A 73 -1.949 12.518 3.241 1.00 0.00 C ATOM 1079 ND1 HIS A 73 -3.327 12.584 3.335 1.00 0.00 N ATOM 1080 CD2 HIS A 73 -1.578 13.525 2.401 1.00 0.00 C ATOM 1081 CE1 HIS A 73 -3.735 13.605 2.564 1.00 0.00 C ATOM 1082 NE2 HIS A 73 -2.706 14.217 1.968 1.00 0.00 N ATOM 0 H HIS A 73 1.134 10.879 4.894 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.714 13.155 5.328 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -0.313 11.154 3.339 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -1.751 10.615 4.182 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -0.562 13.752 2.114 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -4.768 13.896 2.440 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -2.740 15.016 1.335 1.00 0.00 H new ATOM 1090 N LYS A 74 -1.649 12.276 7.466 1.00 0.00 N ATOM 1091 CA LYS A 74 -2.437 11.749 8.611 1.00 0.00 C ATOM 1092 C LYS A 74 -3.894 11.712 8.159 1.00 0.00 C ATOM 1093 O LYS A 74 -4.697 12.539 8.542 1.00 0.00 O ATOM 1094 CB LYS A 74 -2.300 12.677 9.822 1.00 0.00 C ATOM 1095 CG LYS A 74 -0.884 12.587 10.392 1.00 0.00 C ATOM 1096 CD LYS A 74 -0.766 13.520 11.601 1.00 0.00 C ATOM 1097 CE LYS A 74 0.647 13.438 12.180 1.00 0.00 C ATOM 1098 NZ LYS A 74 0.665 14.060 13.534 1.00 0.00 N ATOM 0 H LYS A 74 -1.396 13.262 7.523 1.00 0.00 H new ATOM 0 HA LYS A 74 -2.083 10.760 8.902 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.519 13.704 9.530 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.027 12.401 10.586 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.662 11.561 10.687 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.155 12.865 9.631 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.989 14.545 11.305 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.497 13.242 12.360 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.967 12.398 12.242 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.351 13.949 11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.626 14.005 13.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.377 15.057 13.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 0.005 13.553 14.158 1.00 0.00 H new ATOM 1112 N VAL A 75 -4.233 10.773 7.315 1.00 0.00 N ATOM 1113 CA VAL A 75 -5.630 10.692 6.794 1.00 0.00 C ATOM 1114 C VAL A 75 -6.450 9.710 7.635 1.00 0.00 C ATOM 1115 O VAL A 75 -6.129 8.543 7.745 1.00 0.00 O ATOM 1116 CB VAL A 75 -5.583 10.245 5.325 1.00 0.00 C ATOM 1117 CG1 VAL A 75 -5.266 8.749 5.230 1.00 0.00 C ATOM 1118 CG2 VAL A 75 -6.932 10.529 4.656 1.00 0.00 C ATOM 0 H VAL A 75 -3.600 10.055 6.963 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.109 11.669 6.859 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.798 10.803 4.815 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.237 8.449 4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.298 8.552 5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.037 8.180 5.749 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.896 10.211 3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.718 9.981 5.175 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.143 11.597 4.702 1.00 0.00 H new ATOM 1128 N SER A 76 -7.508 10.188 8.236 1.00 0.00 N ATOM 1129 CA SER A 76 -8.370 9.312 9.084 1.00 0.00 C ATOM 1130 C SER A 76 -9.531 8.770 8.247 1.00 0.00 C ATOM 1131 O SER A 76 -9.756 9.196 7.131 1.00 0.00 O ATOM 1132 CB SER A 76 -8.922 10.129 10.253 1.00 0.00 C ATOM 1133 OG SER A 76 -9.669 11.227 9.746 1.00 0.00 O ATOM 0 H SER A 76 -7.815 11.159 8.175 1.00 0.00 H new ATOM 0 HA SER A 76 -7.780 8.478 9.465 1.00 0.00 H new ATOM 0 HB2 SER A 76 -9.555 9.503 10.883 1.00 0.00 H new ATOM 0 HB3 SER A 76 -8.105 10.488 10.879 1.00 0.00 H new ATOM 0 HG SER A 76 -10.026 11.752 10.492 1.00 0.00 H new ATOM 1139 N ALA A 77 -10.267 7.831 8.776 1.00 0.00 N ATOM 1140 CA ALA A 77 -11.411 7.257 8.011 1.00 0.00 C ATOM 1141 C ALA A 77 -12.432 8.356 7.707 1.00 0.00 C ATOM 1142 O ALA A 77 -13.332 8.175 6.911 1.00 0.00 O ATOM 1143 CB ALA A 77 -12.077 6.158 8.840 1.00 0.00 C ATOM 0 H ALA A 77 -10.126 7.436 9.706 1.00 0.00 H new ATOM 0 HA ALA A 77 -11.044 6.837 7.074 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.914 5.738 8.282 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.352 5.373 9.053 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.441 6.579 9.777 1.00 0.00 H new ATOM 1149 N GLY A 78 -12.300 9.497 8.330 1.00 0.00 N ATOM 1150 CA GLY A 78 -13.263 10.608 8.070 1.00 0.00 C ATOM 1151 C GLY A 78 -12.744 11.464 6.914 1.00 0.00 C ATOM 1152 O GLY A 78 -13.504 11.984 6.122 1.00 0.00 O ATOM 0 H GLY A 78 -11.567 9.708 9.008 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.246 10.204 7.826 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.383 11.218 8.965 1.00 0.00 H new ATOM 1156 N GLN A 79 -11.448 11.612 6.809 1.00 0.00 N ATOM 1157 CA GLN A 79 -10.866 12.432 5.704 1.00 0.00 C ATOM 1158 C GLN A 79 -10.511 11.530 4.519 1.00 0.00 C ATOM 1159 O GLN A 79 -9.906 10.490 4.680 1.00 0.00 O ATOM 1160 CB GLN A 79 -9.603 13.132 6.207 1.00 0.00 C ATOM 1161 CG GLN A 79 -9.965 14.063 7.366 1.00 0.00 C ATOM 1162 CD GLN A 79 -10.848 15.201 6.851 1.00 0.00 C ATOM 1163 OE1 GLN A 79 -10.614 15.733 5.783 1.00 0.00 O ATOM 1164 NE2 GLN A 79 -11.867 15.593 7.565 1.00 0.00 N ATOM 0 H GLN A 79 -10.765 11.198 7.444 1.00 0.00 H new ATOM 0 HA GLN A 79 -11.596 13.175 5.382 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -8.871 12.394 6.534 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -9.143 13.701 5.399 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -10.488 13.506 8.144 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.059 14.467 7.818 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.064 15.147 8.461 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.467 16.345 7.227 1.00 0.00 H new ATOM 1173 N PHE A 80 -10.885 11.927 3.326 1.00 0.00 N ATOM 1174 CA PHE A 80 -10.574 11.110 2.109 1.00 0.00 C ATOM 1175 C PHE A 80 -9.955 12.010 1.039 1.00 0.00 C ATOM 1176 O PHE A 80 -10.248 13.187 0.969 1.00 0.00 O ATOM 1177 CB PHE A 80 -11.862 10.488 1.583 1.00 0.00 C ATOM 1178 CG PHE A 80 -12.324 9.430 2.555 1.00 0.00 C ATOM 1179 CD1 PHE A 80 -11.681 8.185 2.591 1.00 0.00 C ATOM 1180 CD2 PHE A 80 -13.386 9.694 3.428 1.00 0.00 C ATOM 1181 CE1 PHE A 80 -12.104 7.206 3.497 1.00 0.00 C ATOM 1182 CE2 PHE A 80 -13.807 8.714 4.335 1.00 0.00 C ATOM 1183 CZ PHE A 80 -13.166 7.470 4.369 1.00 0.00 C ATOM 0 H PHE A 80 -11.397 12.790 3.142 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.868 10.319 2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -12.630 11.253 1.465 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.695 10.049 0.599 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -10.860 7.981 1.920 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -13.881 10.654 3.402 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -11.610 6.246 3.523 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -14.626 8.918 5.008 1.00 0.00 H new ATOM 0 HZ PHE A 80 -13.491 6.714 5.068 1.00 0.00 H new ATOM 1193 N SER A 81 -9.085 11.469 0.213 1.00 0.00 N ATOM 1194 CA SER A 81 -8.423 12.297 -0.850 1.00 0.00 C ATOM 1195 C SER A 81 -8.684 11.724 -2.252 1.00 0.00 C ATOM 1196 O SER A 81 -9.161 12.415 -3.130 1.00 0.00 O ATOM 1197 CB SER A 81 -6.916 12.312 -0.596 1.00 0.00 C ATOM 1198 OG SER A 81 -6.673 12.581 0.778 1.00 0.00 O ATOM 0 H SER A 81 -8.805 10.488 0.230 1.00 0.00 H new ATOM 0 HA SER A 81 -8.836 13.305 -0.808 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.480 11.352 -0.873 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.439 13.070 -1.217 1.00 0.00 H new ATOM 0 HG SER A 81 -5.707 12.590 0.944 1.00 0.00 H new ATOM 1204 N SER A 82 -8.336 10.481 -2.488 1.00 0.00 N ATOM 1205 CA SER A 82 -8.523 9.893 -3.858 1.00 0.00 C ATOM 1206 C SER A 82 -9.852 9.138 -3.990 1.00 0.00 C ATOM 1207 O SER A 82 -10.187 8.664 -5.057 1.00 0.00 O ATOM 1208 CB SER A 82 -7.375 8.926 -4.146 1.00 0.00 C ATOM 1209 OG SER A 82 -7.453 8.494 -5.498 1.00 0.00 O ATOM 0 H SER A 82 -7.932 9.849 -1.797 1.00 0.00 H new ATOM 0 HA SER A 82 -8.533 10.716 -4.573 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.418 9.415 -3.963 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.429 8.069 -3.475 1.00 0.00 H new ATOM 0 HG SER A 82 -8.381 8.555 -5.808 1.00 0.00 H new ATOM 1215 N LEU A 83 -10.613 9.004 -2.942 1.00 0.00 N ATOM 1216 CA LEU A 83 -11.904 8.259 -3.068 1.00 0.00 C ATOM 1217 C LEU A 83 -12.993 9.209 -3.586 1.00 0.00 C ATOM 1218 O LEU A 83 -14.162 9.039 -3.303 1.00 0.00 O ATOM 1219 CB LEU A 83 -12.310 7.692 -1.699 1.00 0.00 C ATOM 1220 CG LEU A 83 -11.521 6.407 -1.402 1.00 0.00 C ATOM 1221 CD1 LEU A 83 -10.051 6.746 -1.143 1.00 0.00 C ATOM 1222 CD2 LEU A 83 -12.106 5.730 -0.161 1.00 0.00 C ATOM 0 H LEU A 83 -10.405 9.371 -2.013 1.00 0.00 H new ATOM 0 HA LEU A 83 -11.782 7.435 -3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -12.122 8.431 -0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -13.379 7.482 -1.687 1.00 0.00 H new ATOM 0 HG LEU A 83 -11.591 5.737 -2.259 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.498 5.830 -0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.629 7.231 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.978 7.418 -0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.549 4.818 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -12.035 6.407 0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -13.152 5.482 -0.341 1.00 0.00 H new ATOM 1234 N HIS A 84 -12.618 10.204 -4.351 1.00 0.00 N ATOM 1235 CA HIS A 84 -13.637 11.154 -4.891 1.00 0.00 C ATOM 1236 C HIS A 84 -14.385 10.487 -6.045 1.00 0.00 C ATOM 1237 O HIS A 84 -15.587 10.615 -6.179 1.00 0.00 O ATOM 1238 CB HIS A 84 -12.947 12.414 -5.421 1.00 0.00 C ATOM 1239 CG HIS A 84 -12.204 13.099 -4.310 1.00 0.00 C ATOM 1240 ND1 HIS A 84 -12.203 12.618 -3.012 1.00 0.00 N ATOM 1241 CD2 HIS A 84 -11.424 14.228 -4.294 1.00 0.00 C ATOM 1242 CE1 HIS A 84 -11.441 13.446 -2.275 1.00 0.00 C ATOM 1243 NE2 HIS A 84 -10.943 14.446 -3.008 1.00 0.00 N ATOM 0 H HIS A 84 -11.655 10.398 -4.624 1.00 0.00 H new ATOM 0 HA HIS A 84 -14.330 11.423 -4.094 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -12.257 12.151 -6.223 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -13.687 13.092 -5.847 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -11.216 14.852 -5.150 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.254 13.318 -1.219 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -10.340 15.206 -2.692 1.00 0.00 H new ATOM 1251 N VAL A 85 -13.681 9.772 -6.879 1.00 0.00 N ATOM 1252 CA VAL A 85 -14.345 9.092 -8.025 1.00 0.00 C ATOM 1253 C VAL A 85 -15.113 7.880 -7.497 1.00 0.00 C ATOM 1254 O VAL A 85 -14.729 7.275 -6.516 1.00 0.00 O ATOM 1255 CB VAL A 85 -13.289 8.638 -9.038 1.00 0.00 C ATOM 1256 CG1 VAL A 85 -12.565 9.860 -9.611 1.00 0.00 C ATOM 1257 CG2 VAL A 85 -12.272 7.728 -8.344 1.00 0.00 C ATOM 0 H VAL A 85 -12.673 9.630 -6.815 1.00 0.00 H new ATOM 0 HA VAL A 85 -15.033 9.779 -8.518 1.00 0.00 H new ATOM 0 HB VAL A 85 -13.777 8.093 -9.846 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -11.815 9.534 -10.331 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.285 10.510 -10.107 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.079 10.407 -8.803 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.521 7.405 -9.065 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.787 8.275 -7.535 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.783 6.855 -7.937 1.00 0.00 H new ATOM 1267 N ARG A 86 -16.205 7.528 -8.121 1.00 0.00 N ATOM 1268 CA ARG A 86 -17.001 6.363 -7.629 1.00 0.00 C ATOM 1269 C ARG A 86 -16.514 5.078 -8.303 1.00 0.00 C ATOM 1270 O ARG A 86 -17.196 4.500 -9.125 1.00 0.00 O ATOM 1271 CB ARG A 86 -18.478 6.574 -7.967 1.00 0.00 C ATOM 1272 CG ARG A 86 -19.037 7.733 -7.138 1.00 0.00 C ATOM 1273 CD ARG A 86 -20.520 7.924 -7.468 1.00 0.00 C ATOM 1274 NE ARG A 86 -20.968 9.287 -7.029 1.00 0.00 N ATOM 1275 CZ ARG A 86 -20.806 9.699 -5.800 1.00 0.00 C ATOM 1276 NH1 ARG A 86 -20.426 8.871 -4.866 1.00 0.00 N ATOM 1277 NH2 ARG A 86 -21.085 10.935 -5.492 1.00 0.00 N ATOM 0 H ARG A 86 -16.580 7.994 -8.947 1.00 0.00 H new ATOM 0 HA ARG A 86 -16.876 6.278 -6.550 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -18.591 6.787 -9.030 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -19.041 5.663 -7.763 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -18.913 7.527 -6.075 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -18.484 8.648 -7.352 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -20.681 7.806 -8.539 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -21.114 7.158 -6.970 1.00 0.00 H new ATOM 0 HE ARG A 86 -21.410 9.907 -7.707 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -20.252 7.892 -5.092 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -20.302 9.203 -3.909 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -21.428 11.574 -6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -20.961 11.262 -4.534 1.00 0.00 H new ATOM 1291 N ASP A 87 -15.343 4.623 -7.951 1.00 0.00 N ATOM 1292 CA ASP A 87 -14.811 3.369 -8.558 1.00 0.00 C ATOM 1293 C ASP A 87 -15.370 2.174 -7.784 1.00 0.00 C ATOM 1294 O ASP A 87 -16.039 2.334 -6.788 1.00 0.00 O ATOM 1295 CB ASP A 87 -13.285 3.360 -8.459 1.00 0.00 C ATOM 1296 CG ASP A 87 -12.705 4.456 -9.354 1.00 0.00 C ATOM 1297 OD1 ASP A 87 -13.370 4.832 -10.305 1.00 0.00 O ATOM 1298 OD2 ASP A 87 -11.606 4.905 -9.070 1.00 0.00 O ATOM 0 H ASP A 87 -14.730 5.067 -7.267 1.00 0.00 H new ATOM 0 HA ASP A 87 -15.106 3.311 -9.606 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.977 3.520 -7.426 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.897 2.387 -8.761 1.00 0.00 H new ATOM 1303 N THR A 88 -15.098 0.976 -8.224 1.00 0.00 N ATOM 1304 CA THR A 88 -15.612 -0.223 -7.494 1.00 0.00 C ATOM 1305 C THR A 88 -14.535 -0.702 -6.515 1.00 0.00 C ATOM 1306 O THR A 88 -13.374 -0.375 -6.651 1.00 0.00 O ATOM 1307 CB THR A 88 -15.927 -1.337 -8.494 1.00 0.00 C ATOM 1308 OG1 THR A 88 -14.717 -1.820 -9.059 1.00 0.00 O ATOM 1309 CG2 THR A 88 -16.830 -0.792 -9.603 1.00 0.00 C ATOM 0 H THR A 88 -14.543 0.773 -9.056 1.00 0.00 H new ATOM 0 HA THR A 88 -16.521 0.035 -6.950 1.00 0.00 H new ATOM 0 HB THR A 88 -16.439 -2.151 -7.981 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.917 -2.535 -9.699 1.00 0.00 H new ATOM 0 HG21 THR A 88 -17.053 -1.587 -10.314 1.00 0.00 H new ATOM 0 HG22 THR A 88 -17.759 -0.423 -9.168 1.00 0.00 H new ATOM 0 HG23 THR A 88 -16.322 0.023 -10.118 1.00 0.00 H new ATOM 1317 N LYS A 89 -14.909 -1.464 -5.522 1.00 0.00 N ATOM 1318 CA LYS A 89 -13.900 -1.949 -4.530 1.00 0.00 C ATOM 1319 C LYS A 89 -13.239 -3.235 -5.043 1.00 0.00 C ATOM 1320 O LYS A 89 -13.776 -3.925 -5.886 1.00 0.00 O ATOM 1321 CB LYS A 89 -14.588 -2.257 -3.200 1.00 0.00 C ATOM 1322 CG LYS A 89 -15.424 -1.062 -2.746 1.00 0.00 C ATOM 1323 CD LYS A 89 -16.006 -1.361 -1.362 1.00 0.00 C ATOM 1324 CE LYS A 89 -17.050 -0.306 -1.002 1.00 0.00 C ATOM 1325 NZ LYS A 89 -18.099 -0.268 -2.059 1.00 0.00 N ATOM 0 H LYS A 89 -15.867 -1.772 -5.353 1.00 0.00 H new ATOM 0 HA LYS A 89 -13.147 -1.173 -4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.225 -3.135 -3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -13.841 -2.495 -2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -14.808 -0.163 -2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -16.226 -0.870 -3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.459 -2.352 -1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -15.211 -1.368 -0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -17.499 -0.538 -0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -16.578 0.672 -0.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -18.994 0.065 -1.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.804 0.379 -2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -18.232 -1.222 -2.450 1.00 0.00 H new ATOM 1339 N ILE A 90 -12.072 -3.561 -4.532 1.00 0.00 N ATOM 1340 CA ILE A 90 -11.356 -4.805 -4.971 1.00 0.00 C ATOM 1341 C ILE A 90 -10.848 -5.570 -3.740 1.00 0.00 C ATOM 1342 O ILE A 90 -10.727 -5.020 -2.664 1.00 0.00 O ATOM 1343 CB ILE A 90 -10.183 -4.420 -5.880 1.00 0.00 C ATOM 1344 CG1 ILE A 90 -9.204 -3.513 -5.121 1.00 0.00 C ATOM 1345 CG2 ILE A 90 -10.726 -3.677 -7.102 1.00 0.00 C ATOM 1346 CD1 ILE A 90 -8.007 -3.186 -6.018 1.00 0.00 C ATOM 0 H ILE A 90 -11.582 -3.014 -3.824 1.00 0.00 H new ATOM 0 HA ILE A 90 -12.040 -5.448 -5.525 1.00 0.00 H new ATOM 0 HB ILE A 90 -9.656 -5.321 -6.195 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -9.705 -2.594 -4.817 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -8.865 -4.008 -4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.899 -3.398 -7.755 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -11.415 -4.324 -7.645 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -11.251 -2.778 -6.778 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.313 -2.542 -5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.501 -4.109 -6.300 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.354 -2.674 -6.915 1.00 0.00 H new ATOM 1358 N GLU A 91 -10.556 -6.836 -3.891 1.00 0.00 N ATOM 1359 CA GLU A 91 -10.064 -7.640 -2.730 1.00 0.00 C ATOM 1360 C GLU A 91 -8.701 -7.121 -2.270 1.00 0.00 C ATOM 1361 O GLU A 91 -7.885 -6.696 -3.062 1.00 0.00 O ATOM 1362 CB GLU A 91 -9.928 -9.109 -3.140 1.00 0.00 C ATOM 1363 CG GLU A 91 -11.315 -9.720 -3.347 1.00 0.00 C ATOM 1364 CD GLU A 91 -11.169 -11.187 -3.757 1.00 0.00 C ATOM 1365 OE1 GLU A 91 -10.044 -11.619 -3.944 1.00 0.00 O ATOM 1366 OE2 GLU A 91 -12.184 -11.852 -3.879 1.00 0.00 O ATOM 0 H GLU A 91 -10.637 -7.349 -4.769 1.00 0.00 H new ATOM 0 HA GLU A 91 -10.780 -7.549 -1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -9.345 -9.187 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.388 -9.662 -2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -11.898 -9.644 -2.429 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -11.856 -9.168 -4.116 1.00 0.00 H new ATOM 1373 N VAL A 92 -8.451 -7.160 -0.987 1.00 0.00 N ATOM 1374 CA VAL A 92 -7.142 -6.675 -0.465 1.00 0.00 C ATOM 1375 C VAL A 92 -6.012 -7.482 -1.114 1.00 0.00 C ATOM 1376 O VAL A 92 -4.983 -6.946 -1.475 1.00 0.00 O ATOM 1377 CB VAL A 92 -7.108 -6.864 1.059 1.00 0.00 C ATOM 1378 CG1 VAL A 92 -5.692 -6.608 1.587 1.00 0.00 C ATOM 1379 CG2 VAL A 92 -8.086 -5.882 1.724 1.00 0.00 C ATOM 0 H VAL A 92 -9.098 -7.507 -0.279 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.013 -5.619 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.400 -7.887 1.296 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.677 -6.744 2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -4.998 -7.309 1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.392 -5.588 1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.060 -6.018 2.805 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.797 -4.860 1.480 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -9.096 -6.071 1.359 1.00 0.00 H new ATOM 1389 N ALA A 93 -6.197 -8.765 -1.270 1.00 0.00 N ATOM 1390 CA ALA A 93 -5.136 -9.603 -1.900 1.00 0.00 C ATOM 1391 C ALA A 93 -4.769 -9.014 -3.264 1.00 0.00 C ATOM 1392 O ALA A 93 -3.615 -8.972 -3.647 1.00 0.00 O ATOM 1393 CB ALA A 93 -5.652 -11.031 -2.086 1.00 0.00 C ATOM 0 H ALA A 93 -7.037 -9.270 -0.988 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.256 -9.617 -1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.875 -11.641 -2.546 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -5.917 -11.452 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -6.532 -11.019 -2.728 1.00 0.00 H new ATOM 1399 N GLN A 94 -5.744 -8.556 -3.997 1.00 0.00 N ATOM 1400 CA GLN A 94 -5.463 -7.968 -5.337 1.00 0.00 C ATOM 1401 C GLN A 94 -4.815 -6.600 -5.143 1.00 0.00 C ATOM 1402 O GLN A 94 -3.943 -6.195 -5.885 1.00 0.00 O ATOM 1403 CB GLN A 94 -6.779 -7.787 -6.101 1.00 0.00 C ATOM 1404 CG GLN A 94 -7.347 -9.153 -6.495 1.00 0.00 C ATOM 1405 CD GLN A 94 -8.674 -8.957 -7.231 1.00 0.00 C ATOM 1406 OE1 GLN A 94 -9.325 -7.942 -7.076 1.00 0.00 O ATOM 1407 NE2 GLN A 94 -9.107 -9.890 -8.034 1.00 0.00 N ATOM 0 H GLN A 94 -6.727 -8.563 -3.725 1.00 0.00 H new ATOM 0 HA GLN A 94 -4.801 -8.627 -5.898 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -7.498 -7.250 -5.482 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.612 -7.183 -6.992 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.640 -9.683 -7.132 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.498 -9.767 -5.607 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.563 -10.742 -8.166 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.990 -9.767 -8.530 1.00 0.00 H new ATOM 1416 N PHE A 95 -5.251 -5.888 -4.146 1.00 0.00 N ATOM 1417 CA PHE A 95 -4.696 -4.537 -3.876 1.00 0.00 C ATOM 1418 C PHE A 95 -3.190 -4.623 -3.602 1.00 0.00 C ATOM 1419 O PHE A 95 -2.405 -3.891 -4.171 1.00 0.00 O ATOM 1420 CB PHE A 95 -5.398 -3.968 -2.646 1.00 0.00 C ATOM 1421 CG PHE A 95 -4.873 -2.589 -2.358 1.00 0.00 C ATOM 1422 CD1 PHE A 95 -3.755 -2.428 -1.535 1.00 0.00 C ATOM 1423 CD2 PHE A 95 -5.503 -1.473 -2.917 1.00 0.00 C ATOM 1424 CE1 PHE A 95 -3.265 -1.148 -1.268 1.00 0.00 C ATOM 1425 CE2 PHE A 95 -5.015 -0.192 -2.651 1.00 0.00 C ATOM 1426 CZ PHE A 95 -3.896 -0.028 -1.827 1.00 0.00 C ATOM 0 H PHE A 95 -5.979 -6.189 -3.498 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.857 -3.897 -4.743 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.474 -3.930 -2.814 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -5.232 -4.618 -1.787 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.271 -3.293 -1.106 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.366 -1.602 -3.554 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.401 -1.021 -0.632 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.501 0.671 -3.081 1.00 0.00 H new ATOM 0 HZ PHE A 95 -3.518 0.963 -1.621 1.00 0.00 H new ATOM 1436 N VAL A 96 -2.780 -5.500 -2.726 1.00 0.00 N ATOM 1437 CA VAL A 96 -1.325 -5.612 -2.411 1.00 0.00 C ATOM 1438 C VAL A 96 -0.551 -6.041 -3.657 1.00 0.00 C ATOM 1439 O VAL A 96 0.496 -5.507 -3.967 1.00 0.00 O ATOM 1440 CB VAL A 96 -1.112 -6.662 -1.322 1.00 0.00 C ATOM 1441 CG1 VAL A 96 0.385 -6.806 -1.045 1.00 0.00 C ATOM 1442 CG2 VAL A 96 -1.827 -6.234 -0.042 1.00 0.00 C ATOM 0 H VAL A 96 -3.386 -6.142 -2.216 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.967 -4.640 -2.070 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.518 -7.617 -1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.541 -7.555 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.895 -7.117 -1.956 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.787 -5.849 -0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.671 -6.987 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.426 -5.278 0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.894 -6.131 -0.238 1.00 0.00 H new ATOM 1452 N LYS A 97 -1.045 -7.020 -4.360 1.00 0.00 N ATOM 1453 CA LYS A 97 -0.327 -7.507 -5.571 1.00 0.00 C ATOM 1454 C LYS A 97 -0.178 -6.380 -6.598 1.00 0.00 C ATOM 1455 O LYS A 97 0.899 -6.138 -7.108 1.00 0.00 O ATOM 1456 CB LYS A 97 -1.119 -8.660 -6.187 1.00 0.00 C ATOM 1457 CG LYS A 97 -1.030 -9.881 -5.268 1.00 0.00 C ATOM 1458 CD LYS A 97 -1.820 -11.039 -5.879 1.00 0.00 C ATOM 1459 CE LYS A 97 -1.732 -12.260 -4.961 1.00 0.00 C ATOM 1460 NZ LYS A 97 -2.576 -13.357 -5.513 1.00 0.00 N ATOM 0 H LYS A 97 -1.917 -7.505 -4.148 1.00 0.00 H new ATOM 0 HA LYS A 97 0.668 -7.847 -5.284 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.160 -8.369 -6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.723 -8.903 -7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 97 0.012 -10.170 -5.130 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.426 -9.637 -4.282 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.862 -10.749 -6.017 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -1.424 -11.283 -6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.697 -12.591 -4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -2.067 -11.999 -3.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.517 -14.188 -4.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.564 -13.038 -5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.237 -13.612 -6.462 1.00 0.00 H new ATOM 1474 N ASP A 98 -1.237 -5.682 -6.905 1.00 0.00 N ATOM 1475 CA ASP A 98 -1.126 -4.583 -7.906 1.00 0.00 C ATOM 1476 C ASP A 98 -0.118 -3.556 -7.397 1.00 0.00 C ATOM 1477 O ASP A 98 0.693 -3.039 -8.139 1.00 0.00 O ATOM 1478 CB ASP A 98 -2.491 -3.913 -8.081 1.00 0.00 C ATOM 1479 CG ASP A 98 -3.443 -4.871 -8.800 1.00 0.00 C ATOM 1480 OD1 ASP A 98 -3.001 -5.533 -9.724 1.00 0.00 O ATOM 1481 OD2 ASP A 98 -4.598 -4.929 -8.410 1.00 0.00 O ATOM 0 H ASP A 98 -2.167 -5.823 -6.510 1.00 0.00 H new ATOM 0 HA ASP A 98 -0.797 -4.985 -8.864 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.900 -3.639 -7.109 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.385 -2.992 -8.654 1.00 0.00 H new ATOM 1486 N LEU A 99 -0.149 -3.280 -6.127 1.00 0.00 N ATOM 1487 CA LEU A 99 0.816 -2.311 -5.545 1.00 0.00 C ATOM 1488 C LEU A 99 2.243 -2.840 -5.741 1.00 0.00 C ATOM 1489 O LEU A 99 3.162 -2.093 -6.001 1.00 0.00 O ATOM 1490 CB LEU A 99 0.517 -2.140 -4.047 1.00 0.00 C ATOM 1491 CG LEU A 99 1.511 -1.161 -3.404 1.00 0.00 C ATOM 1492 CD1 LEU A 99 1.417 0.218 -4.075 1.00 0.00 C ATOM 1493 CD2 LEU A 99 1.185 -1.031 -1.912 1.00 0.00 C ATOM 0 H LEU A 99 -0.806 -3.687 -5.462 1.00 0.00 H new ATOM 0 HA LEU A 99 0.722 -1.345 -6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -0.501 -1.773 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 99 0.575 -3.107 -3.547 1.00 0.00 H new ATOM 0 HG LEU A 99 2.524 -1.541 -3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.128 0.899 -3.607 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.649 0.123 -5.136 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.407 0.611 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.885 -0.338 -1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.169 -0.655 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 99 1.269 -2.007 -1.435 1.00 0.00 H new ATOM 1505 N LEU A 100 2.432 -4.124 -5.589 1.00 0.00 N ATOM 1506 CA LEU A 100 3.798 -4.712 -5.727 1.00 0.00 C ATOM 1507 C LEU A 100 4.400 -4.391 -7.102 1.00 0.00 C ATOM 1508 O LEU A 100 5.567 -4.056 -7.205 1.00 0.00 O ATOM 1509 CB LEU A 100 3.706 -6.233 -5.553 1.00 0.00 C ATOM 1510 CG LEU A 100 5.098 -6.873 -5.678 1.00 0.00 C ATOM 1511 CD1 LEU A 100 6.024 -6.342 -4.570 1.00 0.00 C ATOM 1512 CD2 LEU A 100 4.958 -8.393 -5.547 1.00 0.00 C ATOM 0 H LEU A 100 1.695 -4.795 -5.374 1.00 0.00 H new ATOM 0 HA LEU A 100 4.444 -4.281 -4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.277 -6.468 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.038 -6.652 -6.305 1.00 0.00 H new ATOM 0 HG LEU A 100 5.529 -6.621 -6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 100 7.008 -6.801 -4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.118 -5.260 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.603 -6.588 -3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.940 -8.858 -5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 100 4.526 -8.636 -4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.308 -8.768 -6.337 1.00 0.00 H new ATOM 1524 N LEU A 101 3.641 -4.495 -8.160 1.00 0.00 N ATOM 1525 CA LEU A 101 4.233 -4.198 -9.501 1.00 0.00 C ATOM 1526 C LEU A 101 4.739 -2.752 -9.525 1.00 0.00 C ATOM 1527 O LEU A 101 5.813 -2.469 -10.015 1.00 0.00 O ATOM 1528 CB LEU A 101 3.175 -4.377 -10.606 1.00 0.00 C ATOM 1529 CG LEU A 101 3.000 -5.863 -10.966 1.00 0.00 C ATOM 1530 CD1 LEU A 101 4.255 -6.411 -11.674 1.00 0.00 C ATOM 1531 CD2 LEU A 101 2.727 -6.666 -9.696 1.00 0.00 C ATOM 0 H LEU A 101 2.658 -4.766 -8.159 1.00 0.00 H new ATOM 0 HA LEU A 101 5.058 -4.888 -9.680 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.222 -3.965 -10.273 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.472 -3.817 -11.493 1.00 0.00 H new ATOM 0 HG LEU A 101 2.156 -5.958 -11.649 1.00 0.00 H new ATOM 0 HD11 LEU A 101 4.105 -7.463 -11.918 1.00 0.00 H new ATOM 0 HD12 LEU A 101 4.431 -5.848 -12.591 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.118 -6.310 -11.015 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.603 -7.719 -9.951 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.565 -6.555 -9.008 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.817 -6.298 -9.221 1.00 0.00 H new ATOM 1543 N HIS A 102 3.972 -1.837 -9.009 1.00 0.00 N ATOM 1544 CA HIS A 102 4.405 -0.411 -9.014 1.00 0.00 C ATOM 1545 C HIS A 102 5.581 -0.180 -8.057 1.00 0.00 C ATOM 1546 O HIS A 102 6.470 0.588 -8.347 1.00 0.00 O ATOM 1547 CB HIS A 102 3.228 0.485 -8.616 1.00 0.00 C ATOM 1548 CG HIS A 102 2.280 0.601 -9.776 1.00 0.00 C ATOM 1549 ND1 HIS A 102 2.425 1.580 -10.745 1.00 0.00 N ATOM 1550 CD2 HIS A 102 1.187 -0.137 -10.146 1.00 0.00 C ATOM 1551 CE1 HIS A 102 1.444 1.407 -11.645 1.00 0.00 C ATOM 1552 NE2 HIS A 102 0.657 0.373 -11.329 1.00 0.00 N ATOM 0 H HIS A 102 3.062 -2.013 -8.583 1.00 0.00 H new ATOM 0 HA HIS A 102 4.737 -0.160 -10.021 1.00 0.00 H new ATOM 0 HB2 HIS A 102 2.713 0.067 -7.751 1.00 0.00 H new ATOM 0 HB3 HIS A 102 3.589 1.472 -8.326 1.00 0.00 H new ATOM 0 HD2 HIS A 102 0.796 -0.985 -9.603 1.00 0.00 H new ATOM 0 HE1 HIS A 102 1.307 2.028 -12.518 1.00 0.00 H new ATOM 0 HE2 HIS A 102 -0.155 0.032 -11.843 1.00 0.00 H new ATOM 1560 N LEU A 103 5.596 -0.795 -6.910 1.00 0.00 N ATOM 1561 CA LEU A 103 6.729 -0.527 -5.974 1.00 0.00 C ATOM 1562 C LEU A 103 8.066 -0.842 -6.656 1.00 0.00 C ATOM 1563 O LEU A 103 8.936 0.000 -6.731 1.00 0.00 O ATOM 1564 CB LEU A 103 6.592 -1.392 -4.716 1.00 0.00 C ATOM 1565 CG LEU A 103 5.380 -0.945 -3.882 1.00 0.00 C ATOM 1566 CD1 LEU A 103 5.144 -1.965 -2.763 1.00 0.00 C ATOM 1567 CD2 LEU A 103 5.623 0.444 -3.262 1.00 0.00 C ATOM 0 H LEU A 103 4.893 -1.457 -6.582 1.00 0.00 H new ATOM 0 HA LEU A 103 6.702 0.527 -5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.480 -2.439 -4.998 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.500 -1.319 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 103 4.507 -0.885 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.286 -1.657 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.950 -2.945 -3.199 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.028 -2.019 -2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.752 0.739 -2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.499 0.405 -2.614 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.790 1.172 -4.055 1.00 0.00 H new ATOM 1579 N LYS A 104 8.250 -2.034 -7.155 1.00 0.00 N ATOM 1580 CA LYS A 104 9.551 -2.352 -7.819 1.00 0.00 C ATOM 1581 C LYS A 104 9.689 -1.577 -9.135 1.00 0.00 C ATOM 1582 O LYS A 104 10.772 -1.425 -9.663 1.00 0.00 O ATOM 1583 CB LYS A 104 9.668 -3.860 -8.065 1.00 0.00 C ATOM 1584 CG LYS A 104 8.532 -4.350 -8.961 1.00 0.00 C ATOM 1585 CD LYS A 104 8.685 -5.860 -9.167 1.00 0.00 C ATOM 1586 CE LYS A 104 7.514 -6.395 -9.990 1.00 0.00 C ATOM 1587 NZ LYS A 104 7.178 -5.426 -11.070 1.00 0.00 N ATOM 0 H LYS A 104 7.569 -2.793 -7.134 1.00 0.00 H new ATOM 0 HA LYS A 104 10.361 -2.046 -7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.628 -4.084 -8.531 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.643 -4.392 -7.114 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.568 -4.127 -8.505 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.558 -3.833 -9.920 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.625 -6.073 -9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.723 -6.365 -8.202 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.772 -7.362 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.648 -6.554 -9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.582 -5.893 -11.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.663 -4.619 -10.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.054 -5.088 -11.518 1.00 0.00 H new ATOM 1601 N LYS A 105 8.604 -1.090 -9.672 1.00 0.00 N ATOM 1602 CA LYS A 105 8.680 -0.331 -10.957 1.00 0.00 C ATOM 1603 C LYS A 105 9.507 0.948 -10.762 1.00 0.00 C ATOM 1604 O LYS A 105 10.408 1.236 -11.525 1.00 0.00 O ATOM 1605 CB LYS A 105 7.262 0.043 -11.397 1.00 0.00 C ATOM 1606 CG LYS A 105 7.295 0.780 -12.738 1.00 0.00 C ATOM 1607 CD LYS A 105 5.863 1.137 -13.145 1.00 0.00 C ATOM 1608 CE LYS A 105 5.874 1.874 -14.485 1.00 0.00 C ATOM 1609 NZ LYS A 105 6.585 3.176 -14.335 1.00 0.00 N ATOM 0 H LYS A 105 7.668 -1.184 -9.278 1.00 0.00 H new ATOM 0 HA LYS A 105 9.157 -0.950 -11.717 1.00 0.00 H new ATOM 0 HB2 LYS A 105 6.653 -0.857 -11.484 1.00 0.00 H new ATOM 0 HB3 LYS A 105 6.794 0.673 -10.640 1.00 0.00 H new ATOM 0 HG2 LYS A 105 7.900 1.683 -12.657 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.758 0.154 -13.501 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.261 0.232 -13.222 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.403 1.762 -12.380 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.367 1.264 -15.243 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.853 2.043 -14.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.350 3.794 -15.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.290 3.633 -13.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.612 3.011 -14.314 1.00 0.00 H new ATOM 1623 N LEU A 106 9.205 1.718 -9.752 1.00 0.00 N ATOM 1624 CA LEU A 106 9.971 2.978 -9.514 1.00 0.00 C ATOM 1625 C LEU A 106 11.438 2.645 -9.209 1.00 0.00 C ATOM 1626 O LEU A 106 12.322 3.450 -9.430 1.00 0.00 O ATOM 1627 CB LEU A 106 9.361 3.748 -8.329 1.00 0.00 C ATOM 1628 CG LEU A 106 8.092 4.521 -8.759 1.00 0.00 C ATOM 1629 CD1 LEU A 106 8.458 5.771 -9.574 1.00 0.00 C ATOM 1630 CD2 LEU A 106 7.181 3.621 -9.600 1.00 0.00 C ATOM 0 H LEU A 106 8.461 1.530 -9.080 1.00 0.00 H new ATOM 0 HA LEU A 106 9.919 3.598 -10.409 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.112 3.051 -7.529 1.00 0.00 H new ATOM 0 HB3 LEU A 106 10.096 4.445 -7.928 1.00 0.00 H new ATOM 0 HG LEU A 106 7.568 4.830 -7.854 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.548 6.296 -9.864 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.080 6.430 -8.969 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.006 5.475 -10.468 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.292 4.178 -9.896 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.716 3.292 -10.491 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.886 2.752 -9.013 1.00 0.00 H new ATOM 1642 N PHE A 107 11.705 1.478 -8.687 1.00 0.00 N ATOM 1643 CA PHE A 107 13.115 1.117 -8.354 1.00 0.00 C ATOM 1644 C PHE A 107 13.982 1.155 -9.613 1.00 0.00 C ATOM 1645 O PHE A 107 15.105 1.619 -9.589 1.00 0.00 O ATOM 1646 CB PHE A 107 13.161 -0.295 -7.764 1.00 0.00 C ATOM 1647 CG PHE A 107 14.593 -0.646 -7.431 1.00 0.00 C ATOM 1648 CD1 PHE A 107 15.240 0.004 -6.375 1.00 0.00 C ATOM 1649 CD2 PHE A 107 15.275 -1.615 -8.179 1.00 0.00 C ATOM 1650 CE1 PHE A 107 16.566 -0.311 -6.065 1.00 0.00 C ATOM 1651 CE2 PHE A 107 16.602 -1.932 -7.867 1.00 0.00 C ATOM 1652 CZ PHE A 107 17.248 -1.280 -6.810 1.00 0.00 C ATOM 0 H PHE A 107 11.011 0.761 -8.477 1.00 0.00 H new ATOM 0 HA PHE A 107 13.496 1.836 -7.629 1.00 0.00 H new ATOM 0 HB2 PHE A 107 12.543 -0.348 -6.868 1.00 0.00 H new ATOM 0 HB3 PHE A 107 12.754 -1.013 -8.476 1.00 0.00 H new ATOM 0 HD1 PHE A 107 14.714 0.750 -5.798 1.00 0.00 H new ATOM 0 HD2 PHE A 107 14.777 -2.117 -8.996 1.00 0.00 H new ATOM 0 HE1 PHE A 107 17.064 0.193 -5.250 1.00 0.00 H new ATOM 0 HE2 PHE A 107 17.128 -2.680 -8.442 1.00 0.00 H new ATOM 0 HZ PHE A 107 18.272 -1.525 -6.570 1.00 0.00 H new ATOM 1662 N ARG A 108 13.477 0.669 -10.711 1.00 0.00 N ATOM 1663 CA ARG A 108 14.282 0.677 -11.964 1.00 0.00 C ATOM 1664 C ARG A 108 14.628 2.113 -12.362 1.00 0.00 C ATOM 1665 O ARG A 108 15.706 2.385 -12.851 1.00 0.00 O ATOM 1666 CB ARG A 108 13.493 0.005 -13.091 1.00 0.00 C ATOM 1667 CG ARG A 108 13.396 -1.495 -12.813 1.00 0.00 C ATOM 1668 CD ARG A 108 12.618 -2.183 -13.937 1.00 0.00 C ATOM 1669 NE ARG A 108 11.186 -1.773 -13.877 1.00 0.00 N ATOM 1670 CZ ARG A 108 10.395 -2.022 -14.885 1.00 0.00 C ATOM 1671 NH1 ARG A 108 10.860 -2.621 -15.947 1.00 0.00 N ATOM 1672 NH2 ARG A 108 9.138 -1.676 -14.830 1.00 0.00 N ATOM 0 H ARG A 108 12.543 0.267 -10.796 1.00 0.00 H new ATOM 0 HA ARG A 108 15.207 0.126 -11.791 1.00 0.00 H new ATOM 0 HB2 ARG A 108 12.496 0.439 -13.161 1.00 0.00 H new ATOM 0 HB3 ARG A 108 13.984 0.178 -14.048 1.00 0.00 H new ATOM 0 HG2 ARG A 108 14.395 -1.925 -12.734 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.899 -1.665 -11.858 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.043 -1.915 -14.904 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.701 -3.266 -13.841 1.00 0.00 H new ATOM 0 HE ARG A 108 10.825 -1.299 -13.049 1.00 0.00 H new ATOM 0 HH11 ARG A 108 11.842 -2.895 -15.989 1.00 0.00 H new ATOM 0 HH12 ARG A 108 10.242 -2.816 -16.735 1.00 0.00 H new ATOM 0 HH21 ARG A 108 8.773 -1.211 -13.999 1.00 0.00 H new ATOM 0 HH22 ARG A 108 8.520 -1.871 -15.618 1.00 0.00 H new ATOM 1686 N GLU A 109 13.723 3.035 -12.174 1.00 0.00 N ATOM 1687 CA GLU A 109 14.011 4.446 -12.565 1.00 0.00 C ATOM 1688 C GLU A 109 14.813 5.143 -11.460 1.00 0.00 C ATOM 1689 O GLU A 109 15.321 6.231 -11.645 1.00 0.00 O ATOM 1690 CB GLU A 109 12.689 5.183 -12.784 1.00 0.00 C ATOM 1691 CG GLU A 109 11.997 4.623 -14.029 1.00 0.00 C ATOM 1692 CD GLU A 109 10.673 5.355 -14.255 1.00 0.00 C ATOM 1693 OE1 GLU A 109 10.280 6.110 -13.381 1.00 0.00 O ATOM 1694 OE2 GLU A 109 10.072 5.143 -15.295 1.00 0.00 O ATOM 0 H GLU A 109 12.801 2.874 -11.769 1.00 0.00 H new ATOM 0 HA GLU A 109 14.596 4.456 -13.485 1.00 0.00 H new ATOM 0 HB2 GLU A 109 12.045 5.065 -11.912 1.00 0.00 H new ATOM 0 HB3 GLU A 109 12.871 6.251 -12.904 1.00 0.00 H new ATOM 0 HG2 GLU A 109 12.642 4.741 -14.900 1.00 0.00 H new ATOM 0 HG3 GLU A 109 11.817 3.555 -13.908 1.00 0.00 H new ATOM 1701 N GLY A 110 14.944 4.523 -10.318 1.00 0.00 N ATOM 1702 CA GLY A 110 15.727 5.151 -9.217 1.00 0.00 C ATOM 1703 C GLY A 110 15.041 6.440 -8.759 1.00 0.00 C ATOM 1704 O GLY A 110 15.580 7.192 -7.971 1.00 0.00 O ATOM 0 H GLY A 110 14.543 3.611 -10.101 1.00 0.00 H new ATOM 0 HA2 GLY A 110 15.814 4.458 -8.380 1.00 0.00 H new ATOM 0 HA3 GLY A 110 16.739 5.369 -9.557 1.00 0.00 H new ATOM 1708 N ARG A 111 13.851 6.701 -9.237 1.00 0.00 N ATOM 1709 CA ARG A 111 13.127 7.940 -8.816 1.00 0.00 C ATOM 1710 C ARG A 111 12.186 7.584 -7.668 1.00 0.00 C ATOM 1711 O ARG A 111 11.107 7.069 -7.873 1.00 0.00 O ATOM 1712 CB ARG A 111 12.306 8.483 -9.988 1.00 0.00 C ATOM 1713 CG ARG A 111 13.238 9.048 -11.063 1.00 0.00 C ATOM 1714 CD ARG A 111 12.390 9.583 -12.221 1.00 0.00 C ATOM 1715 NE ARG A 111 13.265 9.922 -13.394 1.00 0.00 N ATOM 1716 CZ ARG A 111 14.245 10.783 -13.299 1.00 0.00 C ATOM 1717 NH1 ARG A 111 14.402 11.494 -12.217 1.00 0.00 N ATOM 1718 NH2 ARG A 111 15.041 10.970 -14.317 1.00 0.00 N ATOM 0 H ARG A 111 13.349 6.111 -9.900 1.00 0.00 H new ATOM 0 HA ARG A 111 13.844 8.698 -8.500 1.00 0.00 H new ATOM 0 HB2 ARG A 111 11.690 7.689 -10.410 1.00 0.00 H new ATOM 0 HB3 ARG A 111 11.627 9.261 -9.638 1.00 0.00 H new ATOM 0 HG2 ARG A 111 13.854 9.845 -10.647 1.00 0.00 H new ATOM 0 HG3 ARG A 111 13.917 8.273 -11.419 1.00 0.00 H new ATOM 0 HD2 ARG A 111 11.650 8.838 -12.514 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.841 10.468 -11.900 1.00 0.00 H new ATOM 0 HE ARG A 111 13.090 9.468 -14.290 1.00 0.00 H new ATOM 0 HH11 ARG A 111 13.757 11.381 -11.435 1.00 0.00 H new ATOM 0 HH12 ARG A 111 15.170 12.163 -12.153 1.00 0.00 H new ATOM 0 HH21 ARG A 111 14.897 10.446 -15.180 1.00 0.00 H new ATOM 0 HH22 ARG A 111 15.807 11.640 -14.249 1.00 0.00 H new ATOM 1732 N PHE A 112 12.594 7.836 -6.456 1.00 0.00 N ATOM 1733 CA PHE A 112 11.737 7.493 -5.284 1.00 0.00 C ATOM 1734 C PHE A 112 10.879 8.694 -4.888 1.00 0.00 C ATOM 1735 O PHE A 112 11.309 9.826 -4.959 1.00 0.00 O ATOM 1736 CB PHE A 112 12.645 7.081 -4.131 1.00 0.00 C ATOM 1737 CG PHE A 112 13.538 5.977 -4.632 1.00 0.00 C ATOM 1738 CD1 PHE A 112 13.068 4.663 -4.656 1.00 0.00 C ATOM 1739 CD2 PHE A 112 14.825 6.271 -5.101 1.00 0.00 C ATOM 1740 CE1 PHE A 112 13.882 3.640 -5.146 1.00 0.00 C ATOM 1741 CE2 PHE A 112 15.642 5.244 -5.588 1.00 0.00 C ATOM 1742 CZ PHE A 112 15.170 3.928 -5.611 1.00 0.00 C ATOM 0 H PHE A 112 13.489 8.267 -6.224 1.00 0.00 H new ATOM 0 HA PHE A 112 11.067 6.672 -5.537 1.00 0.00 H new ATOM 0 HB2 PHE A 112 13.238 7.929 -3.788 1.00 0.00 H new ATOM 0 HB3 PHE A 112 12.054 6.741 -3.280 1.00 0.00 H new ATOM 0 HD1 PHE A 112 12.075 4.438 -4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.186 7.289 -5.087 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.517 2.624 -5.166 1.00 0.00 H new ATOM 0 HE2 PHE A 112 16.636 5.468 -5.946 1.00 0.00 H new ATOM 0 HZ PHE A 112 15.799 3.135 -5.987 1.00 0.00 H new ATOM 1752 N ASN A 113 9.663 8.444 -4.478 1.00 0.00 N ATOM 1753 CA ASN A 113 8.750 9.553 -4.076 1.00 0.00 C ATOM 1754 C ASN A 113 8.570 10.524 -5.246 1.00 0.00 C ATOM 1755 CB ASN A 113 9.332 10.302 -2.874 1.00 0.00 C ATOM 1756 CG ASN A 113 8.291 11.288 -2.341 1.00 0.00 C ATOM 1757 OD1 ASN A 113 8.255 12.432 -2.751 1.00 0.00 O ATOM 1758 ND2 ASN A 113 7.436 10.892 -1.438 1.00 0.00 N ATOM 1759 OXT ASN A 113 9.515 11.231 -5.556 1.00 0.00 O ATOM 0 H ASN A 113 9.260 7.510 -4.404 1.00 0.00 H new ATOM 0 HA ASN A 113 7.783 9.133 -3.801 1.00 0.00 H new ATOM 0 HB2 ASN A 113 9.615 9.596 -2.093 1.00 0.00 H new ATOM 0 HB3 ASN A 113 10.238 10.834 -3.166 1.00 0.00 H new ATOM 0 HD21 ASN A 113 6.738 11.542 -1.077 1.00 0.00 H new ATOM 0 HD22 ASN A 113 7.466 9.932 -1.094 1.00 0.00 H new