USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 77 SER OG : rot -20:sc= 0.00236 USER MOD Set 1.2: A 79 ASN : amide:sc= -0.0908 X(o=-0.088,f=0.019) USER MOD Set 2.1: A 41 HIS : no HD1:sc= -0.637 X(o=-3.2,f=-3.1) USER MOD Set 2.2: A 68 GLN : amide:sc= -2.58 K(o=-3.2,f=-2) USER MOD Single : A 1 GLU N :NH3+ 137:sc=9.52e-05 (180deg=-0.328) USER MOD Single : A 10 HIS : no HE2:sc= -0.901 K(o=-0.9,f=-1.6) USER MOD Single : A 12 MET CE :methyl 164:sc= -1.67 (180deg=-2.31!) USER MOD Single : A 14 HIS : no HD1:sc= -2.84! C(o=-2.8!,f=-3.1!) USER MOD Single : A 21 SER OG : rot 80:sc= -1.21! USER MOD Single : A 24 TYR OH : rot 180:sc= -0.662 USER MOD Single : A 29 ASN : amide:sc= -0.0248 K(o=-0.025,f=-1.3) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -104:sc= -1.07 (180deg=-2.95!) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 146:sc= -3.85 (180deg=-6.29!) USER MOD Single : A 49 GLN : amide:sc= -0.0787 K(o=-0.079,f=-1) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 52 LYS NZ :NH3+ -144:sc= -1.47 (180deg=-1.99!) USER MOD Single : A 54 THR OG1 : rot 150:sc= -1.28 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.568 K(o=-0.57,f=-1.2!) USER MOD Single : A 58 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.73) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -109:sc= 0 (180deg=-0.474) USER MOD Single : A 71 CYS SG : rot -53:sc= 0.12 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 92:sc= 1.46 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -1.35 K(o=-1.4,f=-2.1!) USER MOD Single : A 90 TYR OH : rot 180:sc=-0.00634 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.0253 X(o=-0.025,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 13.565 -15.617 -9.580 1.00 0.00 N ATOM 2 CA GLU A 1 13.226 -14.196 -9.831 1.00 0.00 C ATOM 3 C GLU A 1 12.916 -13.947 -11.317 1.00 0.00 C ATOM 4 O GLU A 1 13.327 -14.744 -12.161 1.00 0.00 O ATOM 5 CB GLU A 1 14.386 -13.300 -9.369 1.00 0.00 C ATOM 6 CG GLU A 1 15.694 -13.550 -10.136 1.00 0.00 C ATOM 7 CD GLU A 1 16.875 -12.788 -9.536 1.00 0.00 C ATOM 8 OE1 GLU A 1 16.762 -11.548 -9.417 1.00 0.00 O ATOM 9 OE2 GLU A 1 17.865 -13.476 -9.210 1.00 0.00 O ATOM 0 H1 GLU A 1 14.381 -15.671 -8.937 1.00 0.00 H new ATOM 0 H2 GLU A 1 12.750 -16.097 -9.147 1.00 0.00 H new ATOM 0 H3 GLU A 1 13.802 -16.081 -10.480 1.00 0.00 H new ATOM 0 HA GLU A 1 12.329 -13.951 -9.262 1.00 0.00 H new ATOM 0 HB2 GLU A 1 14.098 -12.255 -9.488 1.00 0.00 H new ATOM 0 HB3 GLU A 1 14.560 -13.464 -8.306 1.00 0.00 H new ATOM 0 HG2 GLU A 1 15.915 -14.617 -10.134 1.00 0.00 H new ATOM 0 HG3 GLU A 1 15.564 -13.253 -11.177 1.00 0.00 H new ATOM 17 N LEU A 2 12.109 -12.923 -11.611 1.00 0.00 N ATOM 18 CA LEU A 2 11.700 -12.572 -12.987 1.00 0.00 C ATOM 19 C LEU A 2 11.283 -13.812 -13.806 1.00 0.00 C ATOM 20 O LEU A 2 11.981 -14.319 -14.675 1.00 0.00 O ATOM 21 CB LEU A 2 12.747 -11.683 -13.697 1.00 0.00 C ATOM 22 CG LEU A 2 14.049 -12.298 -14.217 1.00 0.00 C ATOM 23 CD1 LEU A 2 14.017 -12.361 -15.747 1.00 0.00 C ATOM 24 CD2 LEU A 2 15.249 -11.471 -13.755 1.00 0.00 C ATOM 0 H LEU A 2 11.715 -12.306 -10.901 1.00 0.00 H new ATOM 0 HA LEU A 2 10.802 -11.960 -12.910 1.00 0.00 H new ATOM 0 HB2 LEU A 2 12.250 -11.212 -14.545 1.00 0.00 H new ATOM 0 HB3 LEU A 2 13.019 -10.887 -13.004 1.00 0.00 H new ATOM 0 HG LEU A 2 14.146 -13.307 -13.817 1.00 0.00 H new ATOM 0 HD11 LEU A 2 14.946 -12.799 -16.113 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.175 -12.974 -16.068 1.00 0.00 H new ATOM 0 HD13 LEU A 2 13.908 -11.354 -16.150 1.00 0.00 H new ATOM 0 HD21 LEU A 2 16.168 -11.920 -14.132 1.00 0.00 H new ATOM 0 HD22 LEU A 2 15.159 -10.454 -14.137 1.00 0.00 H new ATOM 0 HD23 LEU A 2 15.277 -11.448 -12.666 1.00 0.00 H new ATOM 36 N ILE A 3 10.175 -14.395 -13.378 1.00 0.00 N ATOM 37 CA ILE A 3 9.685 -15.635 -14.026 1.00 0.00 C ATOM 38 C ILE A 3 9.269 -15.399 -15.495 1.00 0.00 C ATOM 39 O ILE A 3 9.367 -16.279 -16.339 1.00 0.00 O ATOM 40 CB ILE A 3 8.602 -16.357 -13.194 1.00 0.00 C ATOM 41 CG1 ILE A 3 7.201 -15.707 -13.161 1.00 0.00 C ATOM 42 CG2 ILE A 3 9.144 -16.699 -11.797 1.00 0.00 C ATOM 43 CD1 ILE A 3 7.071 -14.281 -12.609 1.00 0.00 C ATOM 0 H ILE A 3 9.600 -14.054 -12.607 1.00 0.00 H new ATOM 0 HA ILE A 3 10.529 -16.324 -14.059 1.00 0.00 H new ATOM 0 HB ILE A 3 8.398 -17.280 -13.737 1.00 0.00 H new ATOM 0 HG12 ILE A 3 6.812 -15.706 -14.179 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.550 -16.352 -12.571 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.371 -17.207 -11.221 1.00 0.00 H new ATOM 0 HG22 ILE A 3 10.012 -17.351 -11.893 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.434 -15.782 -11.285 1.00 0.00 H new ATOM 0 HD11 ILE A 3 6.028 -13.968 -12.653 1.00 0.00 H new ATOM 0 HD12 ILE A 3 7.413 -14.259 -11.574 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.679 -13.602 -13.207 1.00 0.00 H new ATOM 55 N ARG A 4 8.748 -14.192 -15.717 1.00 0.00 N ATOM 56 CA ARG A 4 8.249 -13.698 -17.016 1.00 0.00 C ATOM 57 C ARG A 4 8.720 -12.251 -17.276 1.00 0.00 C ATOM 58 O ARG A 4 9.610 -11.992 -18.078 1.00 0.00 O ATOM 59 CB ARG A 4 6.714 -13.796 -17.032 1.00 0.00 C ATOM 60 CG ARG A 4 6.178 -15.222 -16.834 1.00 0.00 C ATOM 61 CD ARG A 4 5.476 -15.784 -18.074 1.00 0.00 C ATOM 62 NE ARG A 4 6.424 -16.018 -19.175 1.00 0.00 N ATOM 63 CZ ARG A 4 6.620 -15.224 -20.236 1.00 0.00 C ATOM 64 NH1 ARG A 4 6.031 -14.041 -20.344 1.00 0.00 N ATOM 65 NH2 ARG A 4 7.476 -15.581 -21.176 1.00 0.00 N ATOM 0 H ARG A 4 8.655 -13.500 -14.974 1.00 0.00 H new ATOM 0 HA ARG A 4 8.655 -14.315 -17.818 1.00 0.00 H new ATOM 0 HB2 ARG A 4 6.311 -13.155 -16.248 1.00 0.00 H new ATOM 0 HB3 ARG A 4 6.345 -13.409 -17.982 1.00 0.00 H new ATOM 0 HG2 ARG A 4 7.005 -15.879 -16.564 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.480 -15.227 -15.997 1.00 0.00 H new ATOM 0 HD2 ARG A 4 4.977 -16.719 -17.818 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.702 -15.089 -18.401 1.00 0.00 H new ATOM 0 HE ARG A 4 6.987 -16.867 -19.125 1.00 0.00 H new ATOM 0 HH11 ARG A 4 5.408 -13.712 -19.606 1.00 0.00 H new ATOM 0 HH12 ARG A 4 6.201 -13.460 -21.165 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.987 -16.460 -21.094 1.00 0.00 H new ATOM 0 HH22 ARG A 4 7.626 -14.978 -21.985 1.00 0.00 H new ATOM 79 N VAL A 5 8.140 -11.332 -16.508 1.00 0.00 N ATOM 80 CA VAL A 5 8.407 -9.872 -16.570 1.00 0.00 C ATOM 81 C VAL A 5 8.902 -9.290 -15.227 1.00 0.00 C ATOM 82 O VAL A 5 9.184 -8.102 -15.108 1.00 0.00 O ATOM 83 CB VAL A 5 7.162 -9.171 -17.181 1.00 0.00 C ATOM 84 CG1 VAL A 5 5.856 -9.478 -16.445 1.00 0.00 C ATOM 85 CG2 VAL A 5 7.305 -7.655 -17.369 1.00 0.00 C ATOM 0 H VAL A 5 7.448 -11.576 -15.799 1.00 0.00 H new ATOM 0 HA VAL A 5 9.251 -9.674 -17.231 1.00 0.00 H new ATOM 0 HB VAL A 5 7.108 -9.616 -18.175 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.033 -8.953 -16.930 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.667 -10.551 -16.471 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.936 -9.149 -15.409 1.00 0.00 H new ATOM 0 HG21 VAL A 5 6.388 -7.254 -17.800 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.488 -7.184 -16.403 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.141 -7.448 -18.037 1.00 0.00 H new ATOM 95 N ALA A 6 8.973 -10.144 -14.197 1.00 0.00 N ATOM 96 CA ALA A 6 9.310 -9.758 -12.806 1.00 0.00 C ATOM 97 C ALA A 6 8.298 -8.745 -12.249 1.00 0.00 C ATOM 98 O ALA A 6 8.603 -7.986 -11.330 1.00 0.00 O ATOM 99 CB ALA A 6 10.729 -9.178 -12.685 1.00 0.00 C ATOM 0 H ALA A 6 8.796 -11.143 -14.302 1.00 0.00 H new ATOM 0 HA ALA A 6 9.267 -10.675 -12.219 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.926 -8.911 -11.647 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.455 -9.922 -13.013 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.813 -8.289 -13.310 1.00 0.00 H new ATOM 105 N ILE A 7 7.056 -8.871 -12.730 1.00 0.00 N ATOM 106 CA ILE A 7 5.945 -7.986 -12.338 1.00 0.00 C ATOM 107 C ILE A 7 5.725 -8.071 -10.826 1.00 0.00 C ATOM 108 O ILE A 7 6.386 -7.355 -10.092 1.00 0.00 O ATOM 109 CB ILE A 7 4.652 -8.140 -13.189 1.00 0.00 C ATOM 110 CG1 ILE A 7 3.461 -7.312 -12.665 1.00 0.00 C ATOM 111 CG2 ILE A 7 4.203 -9.601 -13.345 1.00 0.00 C ATOM 112 CD1 ILE A 7 3.742 -5.836 -12.347 1.00 0.00 C ATOM 0 H ILE A 7 6.789 -9.589 -13.403 1.00 0.00 H new ATOM 0 HA ILE A 7 6.244 -6.965 -12.575 1.00 0.00 H new ATOM 0 HB ILE A 7 4.942 -7.749 -14.164 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.662 -7.356 -13.406 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.084 -7.790 -11.761 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.296 -9.640 -13.949 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.991 -10.173 -13.835 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.003 -10.027 -12.362 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.829 -5.361 -11.988 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.512 -5.770 -11.579 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.084 -5.328 -13.249 1.00 0.00 H new ATOM 124 N LEU A 8 4.871 -8.995 -10.387 1.00 0.00 N ATOM 125 CA LEU A 8 4.502 -9.153 -8.972 1.00 0.00 C ATOM 126 C LEU A 8 3.925 -7.868 -8.350 1.00 0.00 C ATOM 127 O LEU A 8 4.232 -6.742 -8.731 1.00 0.00 O ATOM 128 CB LEU A 8 5.718 -9.658 -8.177 1.00 0.00 C ATOM 129 CG LEU A 8 5.747 -11.164 -7.907 1.00 0.00 C ATOM 130 CD1 LEU A 8 4.617 -11.491 -6.931 1.00 0.00 C ATOM 131 CD2 LEU A 8 5.694 -12.021 -9.179 1.00 0.00 C ATOM 0 H LEU A 8 4.410 -9.663 -11.005 1.00 0.00 H new ATOM 0 HA LEU A 8 3.701 -9.890 -8.922 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.624 -9.386 -8.719 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.749 -9.134 -7.222 1.00 0.00 H new ATOM 0 HG LEU A 8 6.708 -11.421 -7.462 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.615 -12.561 -6.721 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.767 -10.940 -6.003 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.662 -11.206 -7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.718 -13.076 -8.908 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.774 -11.807 -9.724 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.552 -11.789 -9.810 1.00 0.00 H new ATOM 143 N TRP A 9 3.011 -8.071 -7.410 1.00 0.00 N ATOM 144 CA TRP A 9 2.434 -6.929 -6.673 1.00 0.00 C ATOM 145 C TRP A 9 3.365 -6.337 -5.617 1.00 0.00 C ATOM 146 O TRP A 9 3.647 -5.157 -5.680 1.00 0.00 O ATOM 147 CB TRP A 9 1.070 -7.197 -6.052 1.00 0.00 C ATOM 148 CG TRP A 9 -0.056 -7.315 -7.084 1.00 0.00 C ATOM 149 CD1 TRP A 9 -0.056 -6.920 -8.361 1.00 0.00 C ATOM 150 CD2 TRP A 9 -1.312 -7.791 -6.796 1.00 0.00 C ATOM 151 NE1 TRP A 9 -1.273 -7.110 -8.874 1.00 0.00 N ATOM 152 CE2 TRP A 9 -2.061 -7.652 -7.962 1.00 0.00 C ATOM 153 CE3 TRP A 9 -1.884 -8.308 -5.642 1.00 0.00 C ATOM 154 CZ2 TRP A 9 -3.397 -8.025 -7.953 1.00 0.00 C ATOM 155 CZ3 TRP A 9 -3.230 -8.637 -5.629 1.00 0.00 C ATOM 156 CH2 TRP A 9 -3.985 -8.486 -6.778 1.00 0.00 C ATOM 0 H TRP A 9 2.654 -8.986 -7.137 1.00 0.00 H new ATOM 0 HA TRP A 9 2.297 -6.190 -7.462 1.00 0.00 H new ATOM 0 HB2 TRP A 9 1.118 -8.118 -5.471 1.00 0.00 H new ATOM 0 HB3 TRP A 9 0.832 -6.393 -5.356 1.00 0.00 H new ATOM 0 HD1 TRP A 9 0.792 -6.513 -8.892 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -1.553 -6.873 -9.826 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -1.282 -8.453 -4.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.982 -7.958 -8.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -3.688 -9.010 -4.725 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -5.038 -8.727 -6.764 1.00 0.00 H new ATOM 167 N HIS A 10 3.967 -7.200 -4.798 1.00 0.00 N ATOM 168 CA HIS A 10 5.052 -6.837 -3.850 1.00 0.00 C ATOM 169 C HIS A 10 6.068 -5.848 -4.458 1.00 0.00 C ATOM 170 O HIS A 10 6.501 -4.906 -3.804 1.00 0.00 O ATOM 171 CB HIS A 10 5.708 -8.151 -3.401 1.00 0.00 C ATOM 172 CG HIS A 10 7.217 -8.129 -3.033 1.00 0.00 C ATOM 173 ND1 HIS A 10 7.755 -8.208 -1.841 1.00 0.00 N ATOM 174 CD2 HIS A 10 8.184 -8.013 -3.930 1.00 0.00 C ATOM 175 CE1 HIS A 10 9.089 -8.117 -1.991 1.00 0.00 C ATOM 176 NE2 HIS A 10 9.343 -7.974 -3.284 1.00 0.00 N ATOM 0 H HIS A 10 3.720 -8.189 -4.765 1.00 0.00 H new ATOM 0 HA HIS A 10 4.640 -6.305 -2.992 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.159 -8.518 -2.534 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.570 -8.882 -4.198 1.00 0.00 H new ATOM 0 HD1 HIS A 10 7.254 -8.318 -0.960 1.00 0.00 H new ATOM 0 HD2 HIS A 10 8.053 -7.959 -5.001 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.822 -8.154 -1.199 1.00 0.00 H new ATOM 184 N GLU A 11 6.409 -6.095 -5.723 1.00 0.00 N ATOM 185 CA GLU A 11 7.354 -5.267 -6.493 1.00 0.00 C ATOM 186 C GLU A 11 6.869 -3.824 -6.666 1.00 0.00 C ATOM 187 O GLU A 11 7.461 -2.904 -6.102 1.00 0.00 O ATOM 188 CB GLU A 11 7.611 -5.905 -7.856 1.00 0.00 C ATOM 189 CG GLU A 11 8.424 -7.200 -7.747 1.00 0.00 C ATOM 190 CD GLU A 11 9.913 -6.982 -7.460 1.00 0.00 C ATOM 191 OE1 GLU A 11 10.256 -5.971 -6.806 1.00 0.00 O ATOM 192 OE2 GLU A 11 10.679 -7.872 -7.885 1.00 0.00 O ATOM 0 H GLU A 11 6.036 -6.883 -6.253 1.00 0.00 H new ATOM 0 HA GLU A 11 8.283 -5.222 -5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.658 -6.116 -8.341 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.143 -5.197 -8.492 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.999 -7.817 -6.956 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.322 -7.759 -8.677 1.00 0.00 H new ATOM 199 N MET A 12 5.648 -3.699 -7.182 1.00 0.00 N ATOM 200 CA MET A 12 4.987 -2.389 -7.308 1.00 0.00 C ATOM 201 C MET A 12 4.635 -1.814 -5.921 1.00 0.00 C ATOM 202 O MET A 12 4.340 -0.638 -5.837 1.00 0.00 O ATOM 203 CB MET A 12 3.749 -2.496 -8.206 1.00 0.00 C ATOM 204 CG MET A 12 2.530 -3.059 -7.474 1.00 0.00 C ATOM 205 SD MET A 12 1.395 -3.982 -8.549 1.00 0.00 S ATOM 206 CE MET A 12 0.043 -2.856 -8.372 1.00 0.00 C ATOM 0 H MET A 12 5.092 -4.484 -7.521 1.00 0.00 H new ATOM 0 HA MET A 12 5.682 -1.695 -7.781 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.506 -1.509 -8.600 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.980 -3.133 -9.060 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.870 -3.714 -6.672 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.987 -2.238 -7.007 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.691 -3.042 -9.156 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.424 -2.998 -7.397 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.409 -1.832 -8.453 1.00 0.00 H new ATOM 216 N TRP A 13 4.475 -2.676 -4.918 1.00 0.00 N ATOM 217 CA TRP A 13 4.145 -2.295 -3.532 1.00 0.00 C ATOM 218 C TRP A 13 5.335 -1.662 -2.812 1.00 0.00 C ATOM 219 O TRP A 13 5.195 -0.555 -2.316 1.00 0.00 O ATOM 220 CB TRP A 13 3.623 -3.493 -2.739 1.00 0.00 C ATOM 221 CG TRP A 13 2.096 -3.501 -2.567 1.00 0.00 C ATOM 222 CD1 TRP A 13 1.163 -3.096 -3.435 1.00 0.00 C ATOM 223 CD2 TRP A 13 1.440 -3.982 -1.456 1.00 0.00 C ATOM 224 NE1 TRP A 13 -0.045 -3.306 -2.905 1.00 0.00 N ATOM 225 CE2 TRP A 13 0.076 -3.848 -1.703 1.00 0.00 C ATOM 226 CE3 TRP A 13 1.879 -4.488 -0.246 1.00 0.00 C ATOM 227 CZ2 TRP A 13 -0.835 -4.230 -0.728 1.00 0.00 C ATOM 228 CZ3 TRP A 13 0.962 -4.798 0.747 1.00 0.00 C ATOM 229 CH2 TRP A 13 -0.396 -4.680 0.511 1.00 0.00 C ATOM 0 H TRP A 13 4.572 -3.684 -5.042 1.00 0.00 H new ATOM 0 HA TRP A 13 3.356 -1.545 -3.592 1.00 0.00 H new ATOM 0 HB2 TRP A 13 3.928 -4.411 -3.241 1.00 0.00 H new ATOM 0 HB3 TRP A 13 4.091 -3.498 -1.755 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.355 -2.668 -4.408 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -0.930 -3.082 -3.359 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.934 -4.641 -0.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.894 -4.177 -0.934 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.311 -5.134 1.712 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.108 -4.935 1.282 1.00 0.00 H new ATOM 240 N HIS A 14 6.530 -2.206 -3.041 1.00 0.00 N ATOM 241 CA HIS A 14 7.790 -1.653 -2.499 1.00 0.00 C ATOM 242 C HIS A 14 7.935 -0.149 -2.782 1.00 0.00 C ATOM 243 O HIS A 14 7.887 0.673 -1.869 1.00 0.00 O ATOM 244 CB HIS A 14 8.969 -2.403 -3.113 1.00 0.00 C ATOM 245 CG HIS A 14 9.611 -3.359 -2.089 1.00 0.00 C ATOM 246 ND1 HIS A 14 9.783 -4.648 -2.261 1.00 0.00 N ATOM 247 CD2 HIS A 14 10.250 -2.965 -0.998 1.00 0.00 C ATOM 248 CE1 HIS A 14 10.572 -5.076 -1.261 1.00 0.00 C ATOM 249 NE2 HIS A 14 10.850 -4.039 -0.488 1.00 0.00 N ATOM 0 H HIS A 14 6.661 -3.044 -3.607 1.00 0.00 H new ATOM 0 HA HIS A 14 7.773 -1.781 -1.417 1.00 0.00 H new ATOM 0 HB2 HIS A 14 8.632 -2.968 -3.982 1.00 0.00 H new ATOM 0 HB3 HIS A 14 9.714 -1.690 -3.466 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.279 -1.962 -0.598 1.00 0.00 H new ATOM 0 HE1 HIS A 14 10.918 -6.088 -1.114 1.00 0.00 H new ATOM 0 HE2 HIS A 14 11.425 -4.059 0.354 1.00 0.00 H new ATOM 257 N GLU A 15 7.756 0.178 -4.059 1.00 0.00 N ATOM 258 CA GLU A 15 7.795 1.575 -4.525 1.00 0.00 C ATOM 259 C GLU A 15 6.437 2.273 -4.503 1.00 0.00 C ATOM 260 O GLU A 15 6.379 3.440 -4.153 1.00 0.00 O ATOM 261 CB GLU A 15 8.379 1.716 -5.925 1.00 0.00 C ATOM 262 CG GLU A 15 9.884 1.461 -5.917 1.00 0.00 C ATOM 263 CD GLU A 15 10.504 2.115 -7.149 1.00 0.00 C ATOM 264 OE1 GLU A 15 10.406 1.495 -8.230 1.00 0.00 O ATOM 265 OE2 GLU A 15 10.972 3.263 -6.993 1.00 0.00 O ATOM 0 H GLU A 15 7.581 -0.503 -4.798 1.00 0.00 H new ATOM 0 HA GLU A 15 8.449 2.064 -3.803 1.00 0.00 H new ATOM 0 HB2 GLU A 15 7.891 1.012 -6.599 1.00 0.00 H new ATOM 0 HB3 GLU A 15 8.178 2.716 -6.308 1.00 0.00 H new ATOM 0 HG2 GLU A 15 10.330 1.868 -5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.085 0.390 -5.918 1.00 0.00 H new ATOM 272 N GLY A 16 5.356 1.559 -4.806 1.00 0.00 N ATOM 273 CA GLY A 16 3.993 2.127 -4.749 1.00 0.00 C ATOM 274 C GLY A 16 3.642 2.608 -3.337 1.00 0.00 C ATOM 275 O GLY A 16 2.887 3.561 -3.168 1.00 0.00 O ATOM 0 H GLY A 16 5.388 0.582 -5.096 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.916 2.960 -5.448 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.271 1.375 -5.068 1.00 0.00 H new ATOM 279 N LEU A 17 4.234 1.940 -2.353 1.00 0.00 N ATOM 280 CA LEU A 17 4.234 2.378 -0.959 1.00 0.00 C ATOM 281 C LEU A 17 5.298 3.420 -0.652 1.00 0.00 C ATOM 282 O LEU A 17 4.962 4.407 -0.035 1.00 0.00 O ATOM 283 CB LEU A 17 4.330 1.210 0.021 1.00 0.00 C ATOM 284 CG LEU A 17 2.922 0.698 0.312 1.00 0.00 C ATOM 285 CD1 LEU A 17 2.972 -0.572 1.150 1.00 0.00 C ATOM 286 CD2 LEU A 17 2.155 1.777 1.071 1.00 0.00 C ATOM 0 H LEU A 17 4.736 1.065 -2.502 1.00 0.00 H new ATOM 0 HA LEU A 17 3.266 2.859 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.942 0.413 -0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.814 1.530 0.944 1.00 0.00 H new ATOM 0 HG LEU A 17 2.424 0.469 -0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.957 -0.919 1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.522 -1.343 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.473 -0.364 2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.146 1.424 1.285 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.668 1.998 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.102 2.681 0.464 1.00 0.00 H new ATOM 298 N GLU A 18 6.476 3.325 -1.253 1.00 0.00 N ATOM 299 CA GLU A 18 7.523 4.346 -1.057 1.00 0.00 C ATOM 300 C GLU A 18 7.172 5.701 -1.693 1.00 0.00 C ATOM 301 O GLU A 18 7.017 6.672 -0.965 1.00 0.00 O ATOM 302 CB GLU A 18 8.865 3.805 -1.545 1.00 0.00 C ATOM 303 CG GLU A 18 10.011 4.724 -1.120 1.00 0.00 C ATOM 304 CD GLU A 18 11.152 3.891 -0.546 1.00 0.00 C ATOM 305 OE1 GLU A 18 11.866 3.272 -1.363 1.00 0.00 O ATOM 306 OE2 GLU A 18 11.223 3.825 0.699 1.00 0.00 O ATOM 0 H GLU A 18 6.740 2.562 -1.877 1.00 0.00 H new ATOM 0 HA GLU A 18 7.596 4.549 0.011 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.027 2.805 -1.142 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.851 3.713 -2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.363 5.301 -1.975 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.660 5.439 -0.376 1.00 0.00 H new ATOM 313 N GLU A 19 6.784 5.706 -2.965 1.00 0.00 N ATOM 314 CA GLU A 19 6.336 6.906 -3.699 1.00 0.00 C ATOM 315 C GLU A 19 5.065 7.530 -3.087 1.00 0.00 C ATOM 316 O GLU A 19 4.818 8.722 -3.233 1.00 0.00 O ATOM 317 CB GLU A 19 6.171 6.578 -5.193 1.00 0.00 C ATOM 318 CG GLU A 19 5.710 7.753 -6.076 1.00 0.00 C ATOM 319 CD GLU A 19 6.603 9.001 -6.038 1.00 0.00 C ATOM 320 OE1 GLU A 19 6.856 9.530 -4.933 1.00 0.00 O ATOM 321 OE2 GLU A 19 6.973 9.446 -7.145 1.00 0.00 O ATOM 0 H GLU A 19 6.769 4.861 -3.536 1.00 0.00 H new ATOM 0 HA GLU A 19 7.108 7.670 -3.604 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.123 6.209 -5.575 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.451 5.765 -5.293 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.645 7.406 -7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.703 8.039 -5.772 1.00 0.00 H new ATOM 328 N ALA A 20 4.350 6.740 -2.292 1.00 0.00 N ATOM 329 CA ALA A 20 3.152 7.198 -1.571 1.00 0.00 C ATOM 330 C ALA A 20 3.482 7.648 -0.143 1.00 0.00 C ATOM 331 O ALA A 20 3.462 8.838 0.164 1.00 0.00 O ATOM 332 CB ALA A 20 2.107 6.090 -1.541 1.00 0.00 C ATOM 0 H ALA A 20 4.580 5.760 -2.125 1.00 0.00 H new ATOM 0 HA ALA A 20 2.754 8.061 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.224 6.437 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.831 5.822 -2.561 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.518 5.216 -1.035 1.00 0.00 H new ATOM 338 N SER A 21 3.986 6.712 0.650 1.00 0.00 N ATOM 339 CA SER A 21 4.447 6.946 2.028 1.00 0.00 C ATOM 340 C SER A 21 5.451 8.094 2.083 1.00 0.00 C ATOM 341 O SER A 21 5.340 8.858 3.024 1.00 0.00 O ATOM 342 CB SER A 21 5.089 5.713 2.669 1.00 0.00 C ATOM 343 OG SER A 21 4.144 4.642 2.691 1.00 0.00 O ATOM 0 H SER A 21 4.092 5.742 0.353 1.00 0.00 H new ATOM 0 HA SER A 21 3.549 7.195 2.594 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.976 5.418 2.108 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.416 5.945 3.683 1.00 0.00 H new ATOM 0 HG SER A 21 4.106 4.221 1.807 1.00 0.00 H new ATOM 349 N ARG A 22 6.254 8.320 1.037 1.00 0.00 N ATOM 350 CA ARG A 22 7.146 9.496 0.912 1.00 0.00 C ATOM 351 C ARG A 22 6.421 10.823 0.620 1.00 0.00 C ATOM 352 O ARG A 22 6.705 11.825 1.282 1.00 0.00 O ATOM 353 CB ARG A 22 8.261 9.255 -0.113 1.00 0.00 C ATOM 354 CG ARG A 22 9.187 10.467 -0.255 1.00 0.00 C ATOM 355 CD ARG A 22 10.303 10.204 -1.259 1.00 0.00 C ATOM 356 NE ARG A 22 11.420 9.537 -0.575 1.00 0.00 N ATOM 357 CZ ARG A 22 12.449 8.935 -1.177 1.00 0.00 C ATOM 358 NH1 ARG A 22 12.478 8.774 -2.492 1.00 0.00 N ATOM 359 NH2 ARG A 22 13.440 8.440 -0.457 1.00 0.00 N ATOM 0 H ARG A 22 6.309 7.687 0.239 1.00 0.00 H new ATOM 0 HA ARG A 22 7.588 9.610 1.902 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.846 8.386 0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.818 9.023 -1.081 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.607 11.334 -0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.619 10.711 0.715 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.936 9.581 -2.074 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.639 11.142 -1.701 1.00 0.00 H new ATOM 0 HE ARG A 22 11.408 9.534 0.445 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.705 9.113 -3.064 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.274 8.311 -2.932 1.00 0.00 H new ATOM 0 HH21 ARG A 22 13.420 8.517 0.560 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.225 7.980 -0.918 1.00 0.00 H new ATOM 373 N LEU A 23 5.464 10.805 -0.310 1.00 0.00 N ATOM 374 CA LEU A 23 4.597 11.972 -0.606 1.00 0.00 C ATOM 375 C LEU A 23 3.871 12.516 0.639 1.00 0.00 C ATOM 376 O LEU A 23 3.478 13.682 0.718 1.00 0.00 O ATOM 377 CB LEU A 23 3.598 11.603 -1.707 1.00 0.00 C ATOM 378 CG LEU A 23 4.047 12.087 -3.090 1.00 0.00 C ATOM 379 CD1 LEU A 23 3.419 11.242 -4.197 1.00 0.00 C ATOM 380 CD2 LEU A 23 3.620 13.543 -3.288 1.00 0.00 C ATOM 0 H LEU A 23 5.260 9.987 -0.884 1.00 0.00 H new ATOM 0 HA LEU A 23 5.242 12.779 -0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.468 10.521 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.626 12.036 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 23 5.132 11.996 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.754 11.607 -5.168 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.721 10.202 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.333 11.314 -4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.940 13.885 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.535 13.617 -3.213 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.080 14.165 -2.520 1.00 0.00 H new ATOM 392 N TYR A 24 3.775 11.648 1.640 1.00 0.00 N ATOM 393 CA TYR A 24 3.292 11.997 2.979 1.00 0.00 C ATOM 394 C TYR A 24 4.397 12.122 4.052 1.00 0.00 C ATOM 395 O TYR A 24 4.332 13.033 4.873 1.00 0.00 O ATOM 396 CB TYR A 24 2.260 10.940 3.358 1.00 0.00 C ATOM 397 CG TYR A 24 1.588 11.258 4.686 1.00 0.00 C ATOM 398 CD1 TYR A 24 0.967 12.486 4.904 1.00 0.00 C ATOM 399 CD2 TYR A 24 1.574 10.279 5.665 1.00 0.00 C ATOM 400 CE1 TYR A 24 0.304 12.724 6.093 1.00 0.00 C ATOM 401 CE2 TYR A 24 0.916 10.516 6.858 1.00 0.00 C ATOM 402 CZ TYR A 24 0.292 11.736 7.073 1.00 0.00 C ATOM 403 OH TYR A 24 -0.320 11.949 8.257 1.00 0.00 O ATOM 0 H TYR A 24 4.034 10.666 1.547 1.00 0.00 H new ATOM 0 HA TYR A 24 2.859 12.997 2.945 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.505 10.872 2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.744 9.965 3.419 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.004 13.252 4.144 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.074 9.336 5.498 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -0.199 13.665 6.260 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.888 9.752 7.621 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.230 11.152 8.820 1.00 0.00 H new ATOM 413 N PHE A 25 5.436 11.296 3.949 1.00 0.00 N ATOM 414 CA PHE A 25 6.604 11.211 4.854 1.00 0.00 C ATOM 415 C PHE A 25 7.197 12.585 5.187 1.00 0.00 C ATOM 416 O PHE A 25 7.352 12.927 6.356 1.00 0.00 O ATOM 417 CB PHE A 25 7.672 10.335 4.179 1.00 0.00 C ATOM 418 CG PHE A 25 8.956 10.148 4.977 1.00 0.00 C ATOM 419 CD1 PHE A 25 8.895 9.591 6.251 1.00 0.00 C ATOM 420 CD2 PHE A 25 10.177 10.575 4.458 1.00 0.00 C ATOM 421 CE1 PHE A 25 10.040 9.469 7.007 1.00 0.00 C ATOM 422 CE2 PHE A 25 11.326 10.449 5.217 1.00 0.00 C ATOM 423 CZ PHE A 25 11.266 9.898 6.493 1.00 0.00 C ATOM 0 H PHE A 25 5.499 10.621 3.187 1.00 0.00 H new ATOM 0 HA PHE A 25 6.273 10.776 5.797 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.241 9.354 3.979 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.924 10.775 3.214 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.949 9.254 6.647 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.226 11.002 3.467 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.990 9.042 7.998 1.00 0.00 H new ATOM 0 HE2 PHE A 25 12.273 10.780 4.818 1.00 0.00 H new ATOM 0 HZ PHE A 25 12.165 9.802 7.084 1.00 0.00 H new ATOM 433 N GLY A 26 7.473 13.332 4.115 1.00 0.00 N ATOM 434 CA GLY A 26 7.998 14.705 4.226 1.00 0.00 C ATOM 435 C GLY A 26 7.732 15.538 2.970 1.00 0.00 C ATOM 436 O GLY A 26 8.571 16.335 2.563 1.00 0.00 O ATOM 0 H GLY A 26 7.343 13.012 3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.543 15.196 5.086 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.071 14.666 4.412 1.00 0.00 H new ATOM 440 N GLU A 27 6.574 15.312 2.356 1.00 0.00 N ATOM 441 CA GLU A 27 6.151 16.126 1.200 1.00 0.00 C ATOM 442 C GLU A 27 4.919 16.996 1.467 1.00 0.00 C ATOM 443 O GLU A 27 4.537 17.780 0.599 1.00 0.00 O ATOM 444 CB GLU A 27 5.933 15.275 -0.054 1.00 0.00 C ATOM 445 CG GLU A 27 6.995 15.556 -1.116 1.00 0.00 C ATOM 446 CD GLU A 27 8.076 14.475 -1.144 1.00 0.00 C ATOM 447 OE1 GLU A 27 8.848 14.400 -0.164 1.00 0.00 O ATOM 448 OE2 GLU A 27 8.108 13.749 -2.161 1.00 0.00 O ATOM 0 H GLU A 27 5.913 14.584 2.628 1.00 0.00 H new ATOM 0 HA GLU A 27 6.984 16.807 1.025 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.956 14.219 0.214 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.944 15.478 -0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.521 15.620 -2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.456 16.525 -0.921 1.00 0.00 H new ATOM 455 N ARG A 28 4.262 16.775 2.614 1.00 0.00 N ATOM 456 CA ARG A 28 3.011 17.459 3.014 1.00 0.00 C ATOM 457 C ARG A 28 1.953 17.477 1.895 1.00 0.00 C ATOM 458 O ARG A 28 1.083 18.342 1.803 1.00 0.00 O ATOM 459 CB ARG A 28 3.326 18.877 3.504 1.00 0.00 C ATOM 460 CG ARG A 28 2.951 19.020 4.976 1.00 0.00 C ATOM 461 CD ARG A 28 2.922 20.498 5.362 1.00 0.00 C ATOM 462 NE ARG A 28 2.350 20.641 6.708 1.00 0.00 N ATOM 463 CZ ARG A 28 1.686 21.703 7.176 1.00 0.00 C ATOM 464 NH1 ARG A 28 1.445 22.767 6.418 1.00 0.00 N ATOM 465 NH2 ARG A 28 1.231 21.707 8.416 1.00 0.00 N ATOM 0 H ARG A 28 4.587 16.103 3.309 1.00 0.00 H new ATOM 0 HA ARG A 28 2.573 16.886 3.831 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.387 19.089 3.369 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.777 19.606 2.908 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.976 18.568 5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.670 18.487 5.597 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.930 20.911 5.338 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.329 21.062 4.641 1.00 0.00 H new ATOM 0 HE ARG A 28 2.471 19.855 7.346 1.00 0.00 H new ATOM 0 HH11 ARG A 28 1.769 22.788 5.451 1.00 0.00 H new ATOM 0 HH12 ARG A 28 0.936 23.563 6.803 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.386 20.899 9.019 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.725 22.518 8.771 1.00 0.00 H new ATOM 479 N ASN A 29 2.019 16.422 1.089 1.00 0.00 N ATOM 480 CA ASN A 29 1.194 16.257 -0.106 1.00 0.00 C ATOM 481 C ASN A 29 0.665 14.820 -0.118 1.00 0.00 C ATOM 482 O ASN A 29 0.900 14.021 -1.027 1.00 0.00 O ATOM 483 CB ASN A 29 2.032 16.590 -1.346 1.00 0.00 C ATOM 484 CG ASN A 29 1.160 16.884 -2.567 1.00 0.00 C ATOM 485 OD1 ASN A 29 -0.054 16.690 -2.589 1.00 0.00 O ATOM 486 ND2 ASN A 29 1.784 17.332 -3.630 1.00 0.00 N ATOM 0 H ASN A 29 2.658 15.643 1.250 1.00 0.00 H new ATOM 0 HA ASN A 29 0.341 16.935 -0.107 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.663 17.453 -1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.697 15.756 -1.568 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.262 17.523 -4.485 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.791 17.490 -3.601 1.00 0.00 H new ATOM 493 N VAL A 30 -0.036 14.515 0.970 1.00 0.00 N ATOM 494 CA VAL A 30 -0.771 13.242 1.119 1.00 0.00 C ATOM 495 C VAL A 30 -1.722 12.995 -0.073 1.00 0.00 C ATOM 496 O VAL A 30 -1.814 11.883 -0.581 1.00 0.00 O ATOM 497 CB VAL A 30 -1.458 13.187 2.497 1.00 0.00 C ATOM 498 CG1 VAL A 30 -2.774 13.966 2.619 1.00 0.00 C ATOM 499 CG2 VAL A 30 -1.634 11.736 2.927 1.00 0.00 C ATOM 0 H VAL A 30 -0.117 15.134 1.776 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.067 12.410 1.092 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.785 13.709 3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.169 13.858 3.629 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.593 15.021 2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.497 13.574 1.903 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.120 11.702 3.902 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.250 11.212 2.196 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.658 11.255 2.991 1.00 0.00 H new ATOM 509 N LYS A 31 -2.193 14.089 -0.670 1.00 0.00 N ATOM 510 CA LYS A 31 -3.000 14.066 -1.903 1.00 0.00 C ATOM 511 C LYS A 31 -2.251 13.380 -3.069 1.00 0.00 C ATOM 512 O LYS A 31 -2.854 12.620 -3.826 1.00 0.00 O ATOM 513 CB LYS A 31 -3.398 15.522 -2.185 1.00 0.00 C ATOM 514 CG LYS A 31 -4.296 15.761 -3.405 1.00 0.00 C ATOM 515 CD LYS A 31 -3.477 15.797 -4.696 1.00 0.00 C ATOM 516 CE LYS A 31 -3.935 16.928 -5.610 1.00 0.00 C ATOM 517 NZ LYS A 31 -3.109 16.945 -6.823 1.00 0.00 N ATOM 0 H LYS A 31 -2.027 15.030 -0.312 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.899 13.461 -1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.907 15.913 -1.304 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.487 16.106 -2.312 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.045 14.972 -3.468 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.833 16.702 -3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.421 15.925 -4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.572 14.844 -5.217 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.984 16.794 -5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.857 17.883 -5.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.422 17.717 -7.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.113 17.093 -6.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.205 16.037 -7.321 1.00 0.00 H new ATOM 531 N GLY A 32 -0.922 13.556 -3.117 1.00 0.00 N ATOM 532 CA GLY A 32 -0.055 12.919 -4.128 1.00 0.00 C ATOM 533 C GLY A 32 0.060 11.399 -3.920 1.00 0.00 C ATOM 534 O GLY A 32 -0.150 10.615 -4.844 1.00 0.00 O ATOM 0 H GLY A 32 -0.414 14.144 -2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.453 13.119 -5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.938 13.366 -4.086 1.00 0.00 H new ATOM 538 N MET A 33 0.311 10.998 -2.673 1.00 0.00 N ATOM 539 CA MET A 33 0.401 9.576 -2.275 1.00 0.00 C ATOM 540 C MET A 33 -0.882 8.786 -2.577 1.00 0.00 C ATOM 541 O MET A 33 -0.842 7.641 -3.028 1.00 0.00 O ATOM 542 CB MET A 33 0.798 9.517 -0.797 1.00 0.00 C ATOM 543 CG MET A 33 -0.258 9.559 0.303 1.00 0.00 C ATOM 544 SD MET A 33 -0.834 7.913 0.842 1.00 0.00 S ATOM 545 CE MET A 33 -0.594 8.164 2.586 1.00 0.00 C ATOM 0 H MET A 33 0.460 11.647 -1.900 1.00 0.00 H new ATOM 0 HA MET A 33 1.166 9.085 -2.876 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.369 8.599 -0.656 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.480 10.348 -0.616 1.00 0.00 H new ATOM 0 HG2 MET A 33 0.149 10.090 1.163 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.114 10.134 -0.051 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.302 7.635 2.910 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.479 9.229 2.788 1.00 0.00 H new ATOM 0 HE3 MET A 33 -1.458 7.782 3.131 1.00 0.00 H new ATOM 555 N PHE A 34 -1.979 9.530 -2.517 1.00 0.00 N ATOM 556 CA PHE A 34 -3.323 9.083 -2.908 1.00 0.00 C ATOM 557 C PHE A 34 -3.502 8.782 -4.395 1.00 0.00 C ATOM 558 O PHE A 34 -4.366 7.985 -4.731 1.00 0.00 O ATOM 559 CB PHE A 34 -4.363 10.103 -2.449 1.00 0.00 C ATOM 560 CG PHE A 34 -4.657 9.900 -0.969 1.00 0.00 C ATOM 561 CD1 PHE A 34 -5.096 8.661 -0.518 1.00 0.00 C ATOM 562 CD2 PHE A 34 -4.522 10.961 -0.077 1.00 0.00 C ATOM 563 CE1 PHE A 34 -5.408 8.475 0.811 1.00 0.00 C ATOM 564 CE2 PHE A 34 -4.822 10.773 1.257 1.00 0.00 C ATOM 565 CZ PHE A 34 -5.275 9.537 1.703 1.00 0.00 C ATOM 0 H PHE A 34 -1.964 10.494 -2.185 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.467 8.126 -2.406 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.996 11.115 -2.622 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.278 9.992 -3.031 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.193 7.840 -1.213 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.185 11.925 -0.427 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.753 7.513 1.159 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.705 11.588 1.956 1.00 0.00 H new ATOM 0 HZ PHE A 34 -5.525 9.399 2.745 1.00 0.00 H new ATOM 575 N GLU A 35 -2.588 9.279 -5.223 1.00 0.00 N ATOM 576 CA GLU A 35 -2.618 9.090 -6.684 1.00 0.00 C ATOM 577 C GLU A 35 -1.794 7.864 -7.111 1.00 0.00 C ATOM 578 O GLU A 35 -2.204 7.141 -8.011 1.00 0.00 O ATOM 579 CB GLU A 35 -2.070 10.344 -7.367 1.00 0.00 C ATOM 580 CG GLU A 35 -2.484 10.432 -8.842 1.00 0.00 C ATOM 581 CD GLU A 35 -3.912 10.951 -9.064 1.00 0.00 C ATOM 582 OE1 GLU A 35 -4.791 10.700 -8.209 1.00 0.00 O ATOM 583 OE2 GLU A 35 -4.091 11.605 -10.113 1.00 0.00 O ATOM 0 H GLU A 35 -1.793 9.832 -4.902 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.651 8.920 -6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.427 11.228 -6.839 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.982 10.348 -7.296 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.786 11.086 -9.365 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.394 9.444 -9.293 1.00 0.00 H new ATOM 590 N VAL A 36 -0.668 7.639 -6.439 1.00 0.00 N ATOM 591 CA VAL A 36 0.192 6.455 -6.674 1.00 0.00 C ATOM 592 C VAL A 36 -0.372 5.193 -5.986 1.00 0.00 C ATOM 593 O VAL A 36 -0.260 4.086 -6.511 1.00 0.00 O ATOM 594 CB VAL A 36 1.659 6.783 -6.329 1.00 0.00 C ATOM 595 CG1 VAL A 36 1.857 7.206 -4.875 1.00 0.00 C ATOM 596 CG2 VAL A 36 2.615 5.644 -6.700 1.00 0.00 C ATOM 0 H VAL A 36 -0.316 8.264 -5.714 1.00 0.00 H new ATOM 0 HA VAL A 36 0.185 6.206 -7.735 1.00 0.00 H new ATOM 0 HB VAL A 36 1.910 7.645 -6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 36 2.911 7.422 -4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.265 8.098 -4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.537 6.400 -4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.635 5.925 -6.437 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.335 4.742 -6.156 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.556 5.454 -7.772 1.00 0.00 H new ATOM 606 N LEU A 37 -1.030 5.403 -4.847 1.00 0.00 N ATOM 607 CA LEU A 37 -1.768 4.352 -4.128 1.00 0.00 C ATOM 608 C LEU A 37 -3.188 4.124 -4.671 1.00 0.00 C ATOM 609 O LEU A 37 -3.726 3.028 -4.523 1.00 0.00 O ATOM 610 CB LEU A 37 -1.816 4.653 -2.630 1.00 0.00 C ATOM 611 CG LEU A 37 -1.459 3.402 -1.823 1.00 0.00 C ATOM 612 CD1 LEU A 37 0.004 3.417 -1.396 1.00 0.00 C ATOM 613 CD2 LEU A 37 -2.356 3.281 -0.598 1.00 0.00 C ATOM 0 H LEU A 37 -1.070 6.313 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.217 3.426 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.121 5.458 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.812 5.000 -2.354 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.618 2.538 -2.467 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.226 2.515 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.641 3.452 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.193 4.294 -0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.087 2.386 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.227 4.159 0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.397 3.212 -0.915 1.00 0.00 H new ATOM 625 N GLU A 38 -3.758 5.116 -5.363 1.00 0.00 N ATOM 626 CA GLU A 38 -5.046 4.996 -6.077 1.00 0.00 C ATOM 627 C GLU A 38 -5.121 3.715 -6.949 1.00 0.00 C ATOM 628 O GLU A 38 -5.957 2.870 -6.636 1.00 0.00 O ATOM 629 CB GLU A 38 -5.297 6.257 -6.916 1.00 0.00 C ATOM 630 CG GLU A 38 -6.648 6.917 -6.637 1.00 0.00 C ATOM 631 CD GLU A 38 -7.654 6.681 -7.765 1.00 0.00 C ATOM 632 OE1 GLU A 38 -7.766 5.517 -8.213 1.00 0.00 O ATOM 633 OE2 GLU A 38 -8.314 7.672 -8.139 1.00 0.00 O ATOM 0 H GLU A 38 -3.336 6.041 -5.448 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.834 4.904 -5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.503 6.977 -6.721 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.240 5.998 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.054 6.527 -5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.505 7.989 -6.499 1.00 0.00 H new ATOM 640 N PRO A 39 -4.146 3.435 -7.835 1.00 0.00 N ATOM 641 CA PRO A 39 -4.117 2.160 -8.572 1.00 0.00 C ATOM 642 C PRO A 39 -3.736 0.970 -7.680 1.00 0.00 C ATOM 643 O PRO A 39 -4.266 -0.113 -7.887 1.00 0.00 O ATOM 644 CB PRO A 39 -3.146 2.383 -9.731 1.00 0.00 C ATOM 645 CG PRO A 39 -2.133 3.367 -9.154 1.00 0.00 C ATOM 646 CD PRO A 39 -2.998 4.258 -8.265 1.00 0.00 C ATOM 0 HA PRO A 39 -5.106 1.889 -8.942 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -2.671 1.453 -10.043 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -3.651 2.792 -10.606 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.355 2.859 -8.584 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.633 3.939 -9.936 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -2.432 4.613 -7.404 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -3.335 5.139 -8.810 1.00 0.00 H new ATOM 654 N LEU A 40 -3.008 1.206 -6.587 1.00 0.00 N ATOM 655 CA LEU A 40 -2.645 0.140 -5.630 1.00 0.00 C ATOM 656 C LEU A 40 -3.837 -0.394 -4.819 1.00 0.00 C ATOM 657 O LEU A 40 -3.721 -1.436 -4.187 1.00 0.00 O ATOM 658 CB LEU A 40 -1.551 0.602 -4.668 1.00 0.00 C ATOM 659 CG LEU A 40 -0.285 1.093 -5.371 1.00 0.00 C ATOM 660 CD1 LEU A 40 0.663 1.538 -4.278 1.00 0.00 C ATOM 661 CD2 LEU A 40 0.416 0.019 -6.200 1.00 0.00 C ATOM 0 H LEU A 40 -2.653 2.128 -6.335 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.275 -0.679 -6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.944 1.404 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.291 -0.222 -4.004 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.564 1.886 -6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.589 1.900 -4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.202 2.339 -3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.882 0.696 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.305 0.443 -6.668 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.706 -0.809 -5.553 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.262 -0.345 -6.972 1.00 0.00 H new ATOM 673 N HIS A 41 -4.914 0.385 -4.776 1.00 0.00 N ATOM 674 CA HIS A 41 -6.223 -0.018 -4.227 1.00 0.00 C ATOM 675 C HIS A 41 -6.970 -0.958 -5.198 1.00 0.00 C ATOM 676 O HIS A 41 -7.424 -2.034 -4.816 1.00 0.00 O ATOM 677 CB HIS A 41 -6.973 1.285 -3.906 1.00 0.00 C ATOM 678 CG HIS A 41 -8.444 1.363 -4.358 1.00 0.00 C ATOM 679 ND1 HIS A 41 -8.822 1.484 -5.619 1.00 0.00 N ATOM 680 CD2 HIS A 41 -9.528 1.253 -3.604 1.00 0.00 C ATOM 681 CE1 HIS A 41 -10.152 1.420 -5.663 1.00 0.00 C ATOM 682 NE2 HIS A 41 -10.588 1.289 -4.422 1.00 0.00 N ATOM 0 H HIS A 41 -4.909 1.342 -5.130 1.00 0.00 H new ATOM 0 HA HIS A 41 -6.126 -0.607 -3.315 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -6.939 1.441 -2.828 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -6.431 2.112 -4.365 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -9.552 1.153 -2.529 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -10.763 1.467 -6.552 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -11.565 1.226 -4.136 1.00 0.00 H new ATOM 690 N ALA A 42 -6.949 -0.598 -6.480 1.00 0.00 N ATOM 691 CA ALA A 42 -7.681 -1.316 -7.544 1.00 0.00 C ATOM 692 C ALA A 42 -6.951 -2.592 -7.980 1.00 0.00 C ATOM 693 O ALA A 42 -7.511 -3.685 -7.909 1.00 0.00 O ATOM 694 CB ALA A 42 -7.907 -0.376 -8.731 1.00 0.00 C ATOM 0 H ALA A 42 -6.422 0.206 -6.821 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.646 -1.630 -7.146 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.447 -0.905 -9.516 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.490 0.486 -8.407 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.945 -0.039 -9.116 1.00 0.00 H new ATOM 700 N MET A 43 -5.633 -2.453 -8.070 1.00 0.00 N ATOM 701 CA MET A 43 -4.684 -3.552 -8.332 1.00 0.00 C ATOM 702 C MET A 43 -4.490 -4.464 -7.107 1.00 0.00 C ATOM 703 O MET A 43 -3.682 -5.382 -7.140 1.00 0.00 O ATOM 704 CB MET A 43 -3.346 -2.938 -8.739 1.00 0.00 C ATOM 705 CG MET A 43 -3.364 -2.280 -10.121 1.00 0.00 C ATOM 706 SD MET A 43 -2.081 -0.984 -10.275 1.00 0.00 S ATOM 707 CE MET A 43 -1.966 -0.841 -12.044 1.00 0.00 C ATOM 0 H MET A 43 -5.172 -1.550 -7.961 1.00 0.00 H new ATOM 0 HA MET A 43 -5.088 -4.177 -9.128 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.057 -2.194 -7.996 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.581 -3.715 -8.726 1.00 0.00 H new ATOM 0 HG2 MET A 43 -3.207 -3.039 -10.887 1.00 0.00 H new ATOM 0 HG3 MET A 43 -4.346 -1.843 -10.302 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.222 -0.087 -12.300 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.671 -1.801 -12.468 1.00 0.00 H new ATOM 0 HE3 MET A 43 -2.934 -0.548 -12.449 1.00 0.00 H new ATOM 717 N MET A 44 -5.184 -4.150 -6.014 1.00 0.00 N ATOM 718 CA MET A 44 -5.224 -4.984 -4.798 1.00 0.00 C ATOM 719 C MET A 44 -6.620 -5.567 -4.533 1.00 0.00 C ATOM 720 O MET A 44 -6.756 -6.589 -3.857 1.00 0.00 O ATOM 721 CB MET A 44 -4.733 -4.165 -3.598 1.00 0.00 C ATOM 722 CG MET A 44 -4.516 -4.995 -2.325 1.00 0.00 C ATOM 723 SD MET A 44 -3.626 -6.575 -2.592 1.00 0.00 S ATOM 724 CE MET A 44 -2.088 -6.021 -3.294 1.00 0.00 C ATOM 0 H MET A 44 -5.743 -3.300 -5.940 1.00 0.00 H new ATOM 0 HA MET A 44 -4.560 -5.835 -4.952 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.797 -3.675 -3.864 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.457 -3.378 -3.388 1.00 0.00 H new ATOM 0 HG2 MET A 44 -3.958 -4.395 -1.606 1.00 0.00 H new ATOM 0 HG3 MET A 44 -5.486 -5.210 -1.877 1.00 0.00 H new ATOM 0 HE1 MET A 44 -1.281 -6.677 -2.966 1.00 0.00 H new ATOM 0 HE2 MET A 44 -2.155 -6.044 -4.382 1.00 0.00 H new ATOM 0 HE3 MET A 44 -1.884 -5.002 -2.965 1.00 0.00 H new ATOM 734 N GLU A 45 -7.629 -4.926 -5.112 1.00 0.00 N ATOM 735 CA GLU A 45 -9.032 -5.328 -4.946 1.00 0.00 C ATOM 736 C GLU A 45 -9.505 -6.273 -6.059 1.00 0.00 C ATOM 737 O GLU A 45 -10.259 -7.197 -5.760 1.00 0.00 O ATOM 738 CB GLU A 45 -9.926 -4.093 -4.911 1.00 0.00 C ATOM 739 CG GLU A 45 -11.255 -4.458 -4.245 1.00 0.00 C ATOM 740 CD GLU A 45 -12.433 -3.682 -4.831 1.00 0.00 C ATOM 741 OE1 GLU A 45 -12.518 -3.603 -6.077 1.00 0.00 O ATOM 742 OE2 GLU A 45 -13.250 -3.213 -4.011 1.00 0.00 O ATOM 0 H GLU A 45 -7.503 -4.111 -5.712 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.102 -5.869 -4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.437 -3.290 -4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.100 -3.726 -5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.434 -5.527 -4.360 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.189 -4.259 -3.175 1.00 0.00 H new ATOM 749 N ARG A 46 -8.985 -6.093 -7.278 1.00 0.00 N ATOM 750 CA ARG A 46 -9.330 -6.932 -8.448 1.00 0.00 C ATOM 751 C ARG A 46 -9.195 -8.437 -8.156 1.00 0.00 C ATOM 752 O ARG A 46 -9.985 -9.245 -8.641 1.00 0.00 O ATOM 753 CB ARG A 46 -8.437 -6.523 -9.623 1.00 0.00 C ATOM 754 CG ARG A 46 -9.123 -6.816 -10.958 1.00 0.00 C ATOM 755 CD ARG A 46 -8.510 -5.959 -12.064 1.00 0.00 C ATOM 756 NE ARG A 46 -7.702 -6.772 -12.986 1.00 0.00 N ATOM 757 CZ ARG A 46 -6.827 -6.298 -13.881 1.00 0.00 C ATOM 758 NH1 ARG A 46 -6.536 -5.005 -13.953 1.00 0.00 N ATOM 759 NH2 ARG A 46 -6.198 -7.126 -14.696 1.00 0.00 N ATOM 0 H ARG A 46 -8.309 -5.359 -7.490 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.378 -6.765 -8.695 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.204 -5.460 -9.555 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -7.491 -7.061 -9.570 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.018 -7.872 -11.205 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.191 -6.612 -10.879 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.302 -5.456 -12.619 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.888 -5.181 -11.621 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.819 -7.784 -12.939 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.983 -4.345 -13.316 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.865 -4.671 -14.645 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.379 -8.128 -14.644 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.532 -6.763 -15.377 1.00 0.00 H new ATOM 773 N GLY A 47 -8.262 -8.744 -7.245 1.00 0.00 N ATOM 774 CA GLY A 47 -8.061 -10.110 -6.755 1.00 0.00 C ATOM 775 C GLY A 47 -6.720 -10.698 -7.227 1.00 0.00 C ATOM 776 O GLY A 47 -6.113 -10.168 -8.160 1.00 0.00 O ATOM 0 H GLY A 47 -7.631 -8.057 -6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.095 -10.113 -5.666 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.877 -10.744 -7.102 1.00 0.00 H new ATOM 780 N PRO A 48 -6.209 -11.712 -6.517 1.00 0.00 N ATOM 781 CA PRO A 48 -4.960 -12.381 -6.921 1.00 0.00 C ATOM 782 C PRO A 48 -5.151 -13.133 -8.245 1.00 0.00 C ATOM 783 O PRO A 48 -6.232 -13.630 -8.547 1.00 0.00 O ATOM 784 CB PRO A 48 -4.625 -13.308 -5.756 1.00 0.00 C ATOM 785 CG PRO A 48 -5.978 -13.636 -5.125 1.00 0.00 C ATOM 786 CD PRO A 48 -6.789 -12.354 -5.317 1.00 0.00 C ATOM 0 HA PRO A 48 -4.144 -11.684 -7.111 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.118 -14.210 -6.100 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.961 -12.822 -5.041 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.452 -14.487 -5.614 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -5.876 -13.891 -4.070 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.847 -12.574 -5.459 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -6.713 -11.704 -4.445 1.00 0.00 H new ATOM 794 N GLN A 49 -4.072 -13.160 -9.016 1.00 0.00 N ATOM 795 CA GLN A 49 -4.044 -13.816 -10.341 1.00 0.00 C ATOM 796 C GLN A 49 -3.446 -15.226 -10.203 1.00 0.00 C ATOM 797 O GLN A 49 -4.170 -16.183 -9.955 1.00 0.00 O ATOM 798 CB GLN A 49 -3.282 -12.909 -11.327 1.00 0.00 C ATOM 799 CG GLN A 49 -3.018 -13.533 -12.710 1.00 0.00 C ATOM 800 CD GLN A 49 -3.940 -13.057 -13.831 1.00 0.00 C ATOM 801 OE1 GLN A 49 -4.493 -11.964 -13.823 1.00 0.00 O ATOM 802 NE2 GLN A 49 -4.034 -13.837 -14.884 1.00 0.00 N ATOM 0 H GLN A 49 -3.185 -12.731 -8.751 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.048 -13.950 -10.743 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.848 -11.988 -11.462 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.327 -12.633 -10.880 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.988 -13.320 -12.995 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.108 -14.616 -12.624 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.572 -14.747 -14.888 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.569 -13.533 -15.698 1.00 0.00 H new ATOM 811 N THR A 50 -2.117 -15.294 -10.302 1.00 0.00 N ATOM 812 CA THR A 50 -1.308 -16.527 -10.196 1.00 0.00 C ATOM 813 C THR A 50 -1.441 -17.116 -8.784 1.00 0.00 C ATOM 814 O THR A 50 -2.461 -17.709 -8.442 1.00 0.00 O ATOM 815 CB THR A 50 0.150 -16.292 -10.698 1.00 0.00 C ATOM 816 OG1 THR A 50 1.016 -17.346 -10.263 1.00 0.00 O ATOM 817 CG2 THR A 50 0.764 -14.936 -10.316 1.00 0.00 C ATOM 0 H THR A 50 -1.546 -14.465 -10.464 1.00 0.00 H new ATOM 0 HA THR A 50 -1.692 -17.295 -10.868 1.00 0.00 H new ATOM 0 HB THR A 50 0.063 -16.287 -11.785 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.924 -17.179 -10.590 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.778 -14.871 -10.712 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.159 -14.132 -10.735 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.791 -14.842 -9.230 1.00 0.00 H new ATOM 825 N LEU A 51 -0.419 -16.873 -7.965 1.00 0.00 N ATOM 826 CA LEU A 51 -0.343 -17.273 -6.550 1.00 0.00 C ATOM 827 C LEU A 51 0.956 -16.753 -5.904 1.00 0.00 C ATOM 828 O LEU A 51 1.661 -17.439 -5.168 1.00 0.00 O ATOM 829 CB LEU A 51 -0.422 -18.807 -6.478 1.00 0.00 C ATOM 830 CG LEU A 51 -1.210 -19.322 -5.270 1.00 0.00 C ATOM 831 CD1 LEU A 51 -2.651 -18.797 -5.245 1.00 0.00 C ATOM 832 CD2 LEU A 51 -1.225 -20.849 -5.323 1.00 0.00 C ATOM 0 H LEU A 51 0.414 -16.373 -8.275 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.173 -16.837 -5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.885 -19.182 -7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.589 -19.214 -6.443 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.722 -18.962 -4.364 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.167 -19.191 -4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.641 -17.708 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.171 -19.118 -6.147 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.782 -21.237 -4.470 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.701 -21.176 -6.247 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.202 -21.224 -5.289 1.00 0.00 H new ATOM 844 N LYS A 52 1.330 -15.551 -6.330 1.00 0.00 N ATOM 845 CA LYS A 52 2.567 -14.900 -5.856 1.00 0.00 C ATOM 846 C LYS A 52 2.273 -13.565 -5.152 1.00 0.00 C ATOM 847 O LYS A 52 2.738 -13.299 -4.047 1.00 0.00 O ATOM 848 CB LYS A 52 3.545 -14.714 -7.025 1.00 0.00 C ATOM 849 CG LYS A 52 3.770 -15.983 -7.849 1.00 0.00 C ATOM 850 CD LYS A 52 5.016 -15.887 -8.726 1.00 0.00 C ATOM 851 CE LYS A 52 5.062 -17.100 -9.652 1.00 0.00 C ATOM 852 NZ LYS A 52 6.449 -17.476 -9.946 1.00 0.00 N ATOM 0 H LYS A 52 0.799 -14.999 -7.004 1.00 0.00 H new ATOM 0 HA LYS A 52 3.032 -15.550 -5.115 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.168 -13.928 -7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.503 -14.371 -6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.864 -16.837 -7.179 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.898 -16.165 -8.478 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.996 -14.967 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 52 5.912 -15.852 -8.106 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.544 -17.938 -9.187 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.536 -16.875 -10.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.517 -17.812 -10.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.067 -16.649 -9.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.748 -18.234 -9.299 1.00 0.00 H new ATOM 866 N GLU A 53 1.333 -12.818 -5.726 1.00 0.00 N ATOM 867 CA GLU A 53 0.856 -11.531 -5.186 1.00 0.00 C ATOM 868 C GLU A 53 -0.243 -11.688 -4.116 1.00 0.00 C ATOM 869 O GLU A 53 -1.364 -11.189 -4.232 1.00 0.00 O ATOM 870 CB GLU A 53 0.453 -10.626 -6.355 1.00 0.00 C ATOM 871 CG GLU A 53 -0.612 -11.178 -7.315 1.00 0.00 C ATOM 872 CD GLU A 53 -0.044 -11.365 -8.724 1.00 0.00 C ATOM 873 OE1 GLU A 53 1.091 -11.891 -8.812 1.00 0.00 O ATOM 874 OE2 GLU A 53 -0.787 -11.083 -9.682 1.00 0.00 O ATOM 0 H GLU A 53 0.869 -13.087 -6.594 1.00 0.00 H new ATOM 0 HA GLU A 53 1.671 -11.052 -4.643 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.088 -9.684 -5.947 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.348 -10.397 -6.934 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.984 -12.132 -6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.462 -10.496 -7.350 1.00 0.00 H new ATOM 881 N THR A 54 0.094 -12.477 -3.098 1.00 0.00 N ATOM 882 CA THR A 54 -0.816 -12.826 -1.979 1.00 0.00 C ATOM 883 C THR A 54 -0.014 -13.079 -0.684 1.00 0.00 C ATOM 884 O THR A 54 -0.257 -14.004 0.083 1.00 0.00 O ATOM 885 CB THR A 54 -1.736 -13.994 -2.409 1.00 0.00 C ATOM 886 OG1 THR A 54 -2.484 -13.546 -3.539 1.00 0.00 O ATOM 887 CG2 THR A 54 -2.753 -14.482 -1.368 1.00 0.00 C ATOM 0 H THR A 54 1.017 -12.904 -3.014 1.00 0.00 H new ATOM 0 HA THR A 54 -1.474 -11.990 -1.743 1.00 0.00 H new ATOM 0 HB THR A 54 -1.071 -14.837 -2.594 1.00 0.00 H new ATOM 0 HG1 THR A 54 -2.691 -14.309 -4.117 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.338 -15.301 -1.787 1.00 0.00 H new ATOM 0 HG22 THR A 54 -2.226 -14.829 -0.479 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.419 -13.662 -1.098 1.00 0.00 H new ATOM 895 N SER A 55 0.903 -12.156 -0.405 1.00 0.00 N ATOM 896 CA SER A 55 1.698 -12.209 0.846 1.00 0.00 C ATOM 897 C SER A 55 1.471 -10.983 1.744 1.00 0.00 C ATOM 898 O SER A 55 2.310 -10.577 2.546 1.00 0.00 O ATOM 899 CB SER A 55 3.180 -12.360 0.493 1.00 0.00 C ATOM 900 OG SER A 55 3.682 -13.488 1.204 1.00 0.00 O ATOM 0 H SER A 55 1.122 -11.366 -1.012 1.00 0.00 H new ATOM 0 HA SER A 55 1.364 -13.073 1.421 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.305 -12.498 -0.581 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.732 -11.460 0.765 1.00 0.00 H new ATOM 0 HG SER A 55 4.632 -13.610 0.995 1.00 0.00 H new ATOM 906 N PHE A 56 0.316 -10.355 1.527 1.00 0.00 N ATOM 907 CA PHE A 56 -0.040 -9.065 2.144 1.00 0.00 C ATOM 908 C PHE A 56 -1.470 -9.100 2.688 1.00 0.00 C ATOM 909 O PHE A 56 -1.689 -8.793 3.845 1.00 0.00 O ATOM 910 CB PHE A 56 0.005 -7.919 1.131 1.00 0.00 C ATOM 911 CG PHE A 56 0.977 -8.083 -0.034 1.00 0.00 C ATOM 912 CD1 PHE A 56 2.292 -8.505 0.144 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.467 -7.953 -1.319 1.00 0.00 C ATOM 914 CE1 PHE A 56 3.080 -8.819 -0.941 1.00 0.00 C ATOM 915 CE2 PHE A 56 1.252 -8.260 -2.408 1.00 0.00 C ATOM 916 CZ PHE A 56 2.554 -8.713 -2.224 1.00 0.00 C ATOM 0 H PHE A 56 -0.410 -10.726 0.913 1.00 0.00 H new ATOM 0 HA PHE A 56 0.687 -8.901 2.939 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.997 -7.783 0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.260 -7.002 1.663 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.698 -8.587 1.142 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.547 -7.611 -1.465 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.099 -9.145 -0.796 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.856 -8.149 -3.407 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.157 -8.983 -3.078 1.00 0.00 H new ATOM 926 N ASN A 57 -2.390 -9.624 1.886 1.00 0.00 N ATOM 927 CA ASN A 57 -3.801 -9.798 2.293 1.00 0.00 C ATOM 928 C ASN A 57 -3.977 -10.989 3.246 1.00 0.00 C ATOM 929 O ASN A 57 -4.834 -10.969 4.123 1.00 0.00 O ATOM 930 CB ASN A 57 -4.673 -9.960 1.044 1.00 0.00 C ATOM 931 CG ASN A 57 -4.699 -8.714 0.151 1.00 0.00 C ATOM 932 OD1 ASN A 57 -3.769 -7.913 0.086 1.00 0.00 O ATOM 933 ND2 ASN A 57 -5.742 -8.589 -0.628 1.00 0.00 N ATOM 0 H ASN A 57 -2.192 -9.942 0.937 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.116 -8.909 2.840 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.308 -10.806 0.463 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.691 -10.199 1.350 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.789 -7.821 -1.298 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.508 -9.259 -0.566 1.00 0.00 H new ATOM 940 N GLN A 58 -3.073 -11.958 3.098 1.00 0.00 N ATOM 941 CA GLN A 58 -3.011 -13.162 3.945 1.00 0.00 C ATOM 942 C GLN A 58 -1.919 -13.095 5.029 1.00 0.00 C ATOM 943 O GLN A 58 -1.795 -13.994 5.859 1.00 0.00 O ATOM 944 CB GLN A 58 -2.789 -14.376 3.036 1.00 0.00 C ATOM 945 CG GLN A 58 -3.369 -15.649 3.660 1.00 0.00 C ATOM 946 CD GLN A 58 -4.892 -15.556 3.778 1.00 0.00 C ATOM 947 OE1 GLN A 58 -5.466 -15.093 4.755 1.00 0.00 O ATOM 948 NE2 GLN A 58 -5.574 -15.941 2.725 1.00 0.00 N ATOM 0 H GLN A 58 -2.351 -11.934 2.378 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.955 -13.242 4.485 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.255 -14.198 2.067 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.722 -14.509 2.857 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.100 -16.512 3.051 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.933 -15.806 4.647 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.088 -16.326 1.915 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.590 -15.855 2.716 1.00 0.00 H new ATOM 957 N ALA A 59 -1.098 -12.048 4.983 1.00 0.00 N ATOM 958 CA ALA A 59 -0.048 -11.835 5.991 1.00 0.00 C ATOM 959 C ALA A 59 -0.302 -10.598 6.870 1.00 0.00 C ATOM 960 O ALA A 59 -0.218 -10.667 8.092 1.00 0.00 O ATOM 961 CB ALA A 59 1.311 -11.766 5.296 1.00 0.00 C ATOM 0 H ALA A 59 -1.135 -11.330 4.260 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.061 -12.683 6.676 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.092 -11.608 6.039 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.497 -12.701 4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.315 -10.940 4.585 1.00 0.00 H new ATOM 967 N TYR A 60 -0.782 -9.529 6.245 1.00 0.00 N ATOM 968 CA TYR A 60 -1.055 -8.245 6.913 1.00 0.00 C ATOM 969 C TYR A 60 -2.331 -7.622 6.303 1.00 0.00 C ATOM 970 O TYR A 60 -2.283 -6.568 5.679 1.00 0.00 O ATOM 971 CB TYR A 60 0.148 -7.306 6.709 1.00 0.00 C ATOM 972 CG TYR A 60 1.529 -7.957 6.767 1.00 0.00 C ATOM 973 CD1 TYR A 60 2.111 -8.218 7.998 1.00 0.00 C ATOM 974 CD2 TYR A 60 2.141 -8.390 5.594 1.00 0.00 C ATOM 975 CE1 TYR A 60 3.296 -8.928 8.061 1.00 0.00 C ATOM 976 CE2 TYR A 60 3.332 -9.097 5.654 1.00 0.00 C ATOM 977 CZ TYR A 60 3.914 -9.359 6.891 1.00 0.00 C ATOM 978 OH TYR A 60 5.131 -9.948 6.962 1.00 0.00 O ATOM 0 H TYR A 60 -0.998 -9.521 5.248 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.209 -8.399 7.981 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.040 -6.817 5.741 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.105 -6.525 7.468 1.00 0.00 H new ATOM 0 HD1 TYR A 60 1.640 -7.868 8.905 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.688 -8.175 4.637 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.742 -9.148 9.019 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.805 -9.442 4.747 1.00 0.00 H new ATOM 0 HH TYR A 60 5.429 -10.194 6.061 1.00 0.00 H new ATOM 988 N GLY A 61 -3.489 -8.261 6.523 1.00 0.00 N ATOM 989 CA GLY A 61 -4.799 -7.723 6.063 1.00 0.00 C ATOM 990 C GLY A 61 -5.084 -6.288 6.555 1.00 0.00 C ATOM 991 O GLY A 61 -5.843 -5.533 5.956 1.00 0.00 O ATOM 0 H GLY A 61 -3.556 -9.152 7.016 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.826 -7.737 4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.595 -8.382 6.410 1.00 0.00 H new ATOM 995 N ARG A 62 -4.412 -5.948 7.650 1.00 0.00 N ATOM 996 CA ARG A 62 -4.452 -4.631 8.315 1.00 0.00 C ATOM 997 C ARG A 62 -3.455 -3.589 7.792 1.00 0.00 C ATOM 998 O ARG A 62 -3.614 -2.409 8.088 1.00 0.00 O ATOM 999 CB ARG A 62 -4.247 -4.834 9.812 1.00 0.00 C ATOM 1000 CG ARG A 62 -5.472 -5.498 10.436 1.00 0.00 C ATOM 1001 CD ARG A 62 -5.164 -5.807 11.894 1.00 0.00 C ATOM 1002 NE ARG A 62 -6.336 -5.472 12.709 1.00 0.00 N ATOM 1003 CZ ARG A 62 -6.337 -5.316 14.036 1.00 0.00 C ATOM 1004 NH1 ARG A 62 -5.226 -5.456 14.750 1.00 0.00 N ATOM 1005 NH2 ARG A 62 -7.452 -4.994 14.664 1.00 0.00 N ATOM 0 H ARG A 62 -3.795 -6.605 8.127 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.432 -4.213 8.085 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.365 -5.451 9.984 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.062 -3.873 10.293 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.338 -4.840 10.363 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.721 -6.413 9.899 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.913 -6.861 12.011 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.298 -5.234 12.226 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.224 -5.348 12.223 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -4.347 -5.687 14.286 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -5.251 -5.332 15.762 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.315 -4.864 14.136 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.451 -4.875 15.677 1.00 0.00 H new ATOM 1019 N ASP A 63 -2.448 -4.033 7.033 1.00 0.00 N ATOM 1020 CA ASP A 63 -1.411 -3.175 6.413 1.00 0.00 C ATOM 1021 C ASP A 63 -2.006 -2.118 5.456 1.00 0.00 C ATOM 1022 O ASP A 63 -3.159 -1.727 5.619 1.00 0.00 O ATOM 1023 CB ASP A 63 -0.404 -4.095 5.702 1.00 0.00 C ATOM 1024 CG ASP A 63 -0.795 -4.733 4.355 1.00 0.00 C ATOM 1025 OD1 ASP A 63 -1.966 -4.596 3.934 1.00 0.00 O ATOM 1026 OD2 ASP A 63 0.141 -5.179 3.666 1.00 0.00 O ATOM 0 H ASP A 63 -2.321 -5.023 6.822 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.908 -2.598 7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.509 -3.521 5.541 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.156 -4.904 6.389 1.00 0.00 H new ATOM 1031 N LEU A 64 -1.292 -1.787 4.368 1.00 0.00 N ATOM 1032 CA LEU A 64 -1.824 -1.009 3.229 1.00 0.00 C ATOM 1033 C LEU A 64 -3.296 -1.327 2.915 1.00 0.00 C ATOM 1034 O LEU A 64 -4.096 -0.410 2.772 1.00 0.00 O ATOM 1035 CB LEU A 64 -0.962 -1.233 1.969 1.00 0.00 C ATOM 1036 CG LEU A 64 -1.528 -0.607 0.673 1.00 0.00 C ATOM 1037 CD1 LEU A 64 -0.416 -0.331 -0.330 1.00 0.00 C ATOM 1038 CD2 LEU A 64 -2.505 -1.533 -0.059 1.00 0.00 C ATOM 0 H LEU A 64 -0.315 -2.054 4.250 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.778 0.038 3.527 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.032 -0.823 2.149 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.842 -2.305 1.815 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.032 0.302 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.841 0.109 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.304 0.361 0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.086 -1.265 -0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.869 -1.039 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.995 -2.457 -0.332 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.347 -1.762 0.594 1.00 0.00 H new ATOM 1050 N MET A 65 -3.625 -2.619 2.893 1.00 0.00 N ATOM 1051 CA MET A 65 -4.962 -3.137 2.551 1.00 0.00 C ATOM 1052 C MET A 65 -6.063 -2.404 3.347 1.00 0.00 C ATOM 1053 O MET A 65 -6.882 -1.712 2.748 1.00 0.00 O ATOM 1054 CB MET A 65 -4.977 -4.643 2.836 1.00 0.00 C ATOM 1055 CG MET A 65 -5.950 -5.396 1.925 1.00 0.00 C ATOM 1056 SD MET A 65 -7.705 -4.893 2.080 1.00 0.00 S ATOM 1057 CE MET A 65 -8.196 -5.859 3.492 1.00 0.00 C ATOM 0 H MET A 65 -2.957 -3.357 3.117 1.00 0.00 H new ATOM 0 HA MET A 65 -5.170 -2.960 1.496 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.973 -5.046 2.704 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.253 -4.811 3.877 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.638 -5.255 0.890 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.873 -6.462 2.139 1.00 0.00 H new ATOM 0 HE1 MET A 65 -8.866 -6.657 3.172 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.313 -6.293 3.961 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.711 -5.220 4.209 1.00 0.00 H new ATOM 1067 N GLU A 66 -5.847 -2.297 4.655 1.00 0.00 N ATOM 1068 CA GLU A 66 -6.734 -1.543 5.570 1.00 0.00 C ATOM 1069 C GLU A 66 -6.404 -0.047 5.657 1.00 0.00 C ATOM 1070 O GLU A 66 -7.317 0.773 5.607 1.00 0.00 O ATOM 1071 CB GLU A 66 -6.721 -2.175 6.958 1.00 0.00 C ATOM 1072 CG GLU A 66 -7.772 -3.280 7.086 1.00 0.00 C ATOM 1073 CD GLU A 66 -9.124 -2.695 7.490 1.00 0.00 C ATOM 1074 OE1 GLU A 66 -9.314 -2.531 8.717 1.00 0.00 O ATOM 1075 OE2 GLU A 66 -9.908 -2.344 6.581 1.00 0.00 O ATOM 0 H GLU A 66 -5.051 -2.729 5.124 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.736 -1.606 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.733 -2.587 7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.907 -1.407 7.709 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.868 -3.809 6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.450 -4.011 7.828 1.00 0.00 H new ATOM 1082 N ALA A 67 -5.111 0.273 5.573 1.00 0.00 N ATOM 1083 CA ALA A 67 -4.600 1.659 5.500 1.00 0.00 C ATOM 1084 C ALA A 67 -5.206 2.486 4.349 1.00 0.00 C ATOM 1085 O ALA A 67 -5.272 3.709 4.422 1.00 0.00 O ATOM 1086 CB ALA A 67 -3.078 1.611 5.370 1.00 0.00 C ATOM 0 H ALA A 67 -4.371 -0.429 5.553 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.901 2.165 6.417 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.685 2.626 5.315 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.655 1.105 6.237 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.807 1.068 4.465 1.00 0.00 H new ATOM 1092 N GLN A 68 -5.649 1.779 3.309 1.00 0.00 N ATOM 1093 CA GLN A 68 -6.400 2.322 2.164 1.00 0.00 C ATOM 1094 C GLN A 68 -7.907 2.038 2.260 1.00 0.00 C ATOM 1095 O GLN A 68 -8.703 2.890 1.865 1.00 0.00 O ATOM 1096 CB GLN A 68 -5.790 1.759 0.868 1.00 0.00 C ATOM 1097 CG GLN A 68 -6.673 1.828 -0.389 1.00 0.00 C ATOM 1098 CD GLN A 68 -7.512 0.553 -0.559 1.00 0.00 C ATOM 1099 OE1 GLN A 68 -7.000 -0.516 -0.864 1.00 0.00 O ATOM 1100 NE2 GLN A 68 -8.806 0.597 -0.332 1.00 0.00 N ATOM 0 H GLN A 68 -5.492 0.774 3.233 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.312 3.408 2.167 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -4.864 2.296 0.665 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.523 0.717 1.041 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.333 2.693 -0.324 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -6.045 1.971 -1.268 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -9.249 1.479 -0.077 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -9.367 -0.251 -0.411 1.00 0.00 H new ATOM 1109 N GLU A 69 -8.281 0.817 2.657 1.00 0.00 N ATOM 1110 CA GLU A 69 -9.699 0.393 2.749 1.00 0.00 C ATOM 1111 C GLU A 69 -10.573 1.408 3.501 1.00 0.00 C ATOM 1112 O GLU A 69 -11.737 1.610 3.154 1.00 0.00 O ATOM 1113 CB GLU A 69 -9.819 -0.974 3.422 1.00 0.00 C ATOM 1114 CG GLU A 69 -11.040 -1.719 2.881 1.00 0.00 C ATOM 1115 CD GLU A 69 -11.500 -2.806 3.849 1.00 0.00 C ATOM 1116 OE1 GLU A 69 -11.017 -3.949 3.703 1.00 0.00 O ATOM 1117 OE2 GLU A 69 -12.358 -2.466 4.693 1.00 0.00 O ATOM 0 H GLU A 69 -7.618 0.090 2.925 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.064 0.331 1.724 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.917 -1.558 3.241 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -9.907 -0.850 4.501 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -11.853 -1.013 2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.798 -2.166 1.917 1.00 0.00 H new ATOM 1124 N TRP A 70 -9.925 2.136 4.411 1.00 0.00 N ATOM 1125 CA TRP A 70 -10.465 3.315 5.108 1.00 0.00 C ATOM 1126 C TRP A 70 -10.563 4.539 4.172 1.00 0.00 C ATOM 1127 O TRP A 70 -10.319 5.677 4.564 1.00 0.00 O ATOM 1128 CB TRP A 70 -9.582 3.596 6.330 1.00 0.00 C ATOM 1129 CG TRP A 70 -9.423 2.403 7.291 1.00 0.00 C ATOM 1130 CD1 TRP A 70 -10.063 1.228 7.248 1.00 0.00 C ATOM 1131 CD2 TRP A 70 -8.485 2.322 8.300 1.00 0.00 C ATOM 1132 NE1 TRP A 70 -9.562 0.425 8.183 1.00 0.00 N ATOM 1133 CE2 TRP A 70 -8.611 1.047 8.852 1.00 0.00 C ATOM 1134 CE3 TRP A 70 -7.572 3.225 8.828 1.00 0.00 C ATOM 1135 CZ2 TRP A 70 -7.828 0.683 9.936 1.00 0.00 C ATOM 1136 CZ3 TRP A 70 -6.759 2.839 9.890 1.00 0.00 C ATOM 1137 CH2 TRP A 70 -6.890 1.579 10.445 1.00 0.00 C ATOM 0 H TRP A 70 -8.971 1.916 4.698 1.00 0.00 H new ATOM 0 HA TRP A 70 -11.484 3.112 5.436 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.594 3.903 5.986 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.003 4.437 6.881 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -10.859 0.973 6.564 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -9.869 -0.532 8.357 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -7.493 4.221 8.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.944 -0.292 10.385 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -6.023 3.526 10.282 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -6.263 1.289 11.275 1.00 0.00 H new ATOM 1148 N CYS A 71 -11.132 4.293 2.997 1.00 0.00 N ATOM 1149 CA CYS A 71 -11.363 5.292 1.937 1.00 0.00 C ATOM 1150 C CYS A 71 -12.647 6.079 2.214 1.00 0.00 C ATOM 1151 O CYS A 71 -12.582 7.288 2.381 1.00 0.00 O ATOM 1152 CB CYS A 71 -11.412 4.626 0.558 1.00 0.00 C ATOM 1153 SG CYS A 71 -12.680 3.314 0.390 1.00 0.00 S ATOM 0 H CYS A 71 -11.460 3.362 2.738 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.527 5.992 1.937 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -11.599 5.392 -0.195 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.434 4.198 0.341 1.00 0.00 H new ATOM 0 HG CYS A 71 -12.530 2.441 1.341 1.00 0.00 H new ATOM 1159 N ARG A 72 -13.719 5.358 2.540 1.00 0.00 N ATOM 1160 CA ARG A 72 -14.996 5.952 3.003 1.00 0.00 C ATOM 1161 C ARG A 72 -14.836 6.794 4.281 1.00 0.00 C ATOM 1162 O ARG A 72 -15.532 7.792 4.465 1.00 0.00 O ATOM 1163 CB ARG A 72 -16.041 4.857 3.221 1.00 0.00 C ATOM 1164 CG ARG A 72 -16.403 4.144 1.916 1.00 0.00 C ATOM 1165 CD ARG A 72 -17.456 3.074 2.191 1.00 0.00 C ATOM 1166 NE ARG A 72 -17.044 1.807 1.568 1.00 0.00 N ATOM 1167 CZ ARG A 72 -17.544 0.599 1.851 1.00 0.00 C ATOM 1168 NH1 ARG A 72 -18.494 0.436 2.764 1.00 0.00 N ATOM 1169 NH2 ARG A 72 -17.086 -0.472 1.229 1.00 0.00 N ATOM 0 H ARG A 72 -13.737 4.339 2.494 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.331 6.629 2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.660 4.130 3.938 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -16.939 5.294 3.657 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.782 4.863 1.190 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.514 3.689 1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.581 2.939 3.265 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -18.422 3.389 1.795 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.313 1.854 0.858 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.860 1.243 3.269 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -18.858 -0.496 2.961 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.349 -0.380 0.530 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -17.470 -1.392 1.447 1.00 0.00 H new ATOM 1183 N LYS A 73 -13.816 6.447 5.074 1.00 0.00 N ATOM 1184 CA LYS A 73 -13.427 7.205 6.272 1.00 0.00 C ATOM 1185 C LYS A 73 -12.512 8.386 5.894 1.00 0.00 C ATOM 1186 O LYS A 73 -12.931 9.521 6.045 1.00 0.00 O ATOM 1187 CB LYS A 73 -12.750 6.297 7.303 1.00 0.00 C ATOM 1188 CG LYS A 73 -13.150 6.657 8.741 1.00 0.00 C ATOM 1189 CD LYS A 73 -14.515 6.061 9.111 1.00 0.00 C ATOM 1190 CE LYS A 73 -15.659 7.080 9.181 1.00 0.00 C ATOM 1191 NZ LYS A 73 -15.685 7.797 10.465 1.00 0.00 N ATOM 0 H LYS A 73 -13.233 5.628 4.903 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.333 7.607 6.727 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.017 5.259 7.102 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.668 6.374 7.198 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.392 6.290 9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.184 7.741 8.850 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.773 5.295 8.380 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.430 5.563 10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.554 7.798 8.368 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.610 6.568 9.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.474 8.475 10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.811 7.116 11.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.789 8.308 10.595 1.00 0.00 H new ATOM 1205 N TYR A 74 -11.426 8.137 5.170 1.00 0.00 N ATOM 1206 CA TYR A 74 -10.547 9.202 4.629 1.00 0.00 C ATOM 1207 C TYR A 74 -11.273 10.250 3.750 1.00 0.00 C ATOM 1208 O TYR A 74 -10.820 11.381 3.628 1.00 0.00 O ATOM 1209 CB TYR A 74 -9.384 8.506 3.908 1.00 0.00 C ATOM 1210 CG TYR A 74 -8.694 9.318 2.811 1.00 0.00 C ATOM 1211 CD1 TYR A 74 -8.173 10.578 3.074 1.00 0.00 C ATOM 1212 CD2 TYR A 74 -8.802 8.865 1.503 1.00 0.00 C ATOM 1213 CE1 TYR A 74 -7.779 11.395 2.029 1.00 0.00 C ATOM 1214 CE2 TYR A 74 -8.388 9.668 0.453 1.00 0.00 C ATOM 1215 CZ TYR A 74 -7.896 10.941 0.717 1.00 0.00 C ATOM 1216 OH TYR A 74 -7.449 11.716 -0.298 1.00 0.00 O ATOM 0 H TYR A 74 -11.118 7.194 4.934 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.174 9.809 5.454 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.637 8.227 4.651 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.757 7.581 3.468 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.075 10.920 4.094 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.210 7.885 1.304 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.383 12.380 2.229 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.447 9.308 -0.563 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.521 11.480 -0.505 1.00 0.00 H new ATOM 1226 N MET A 75 -12.388 9.858 3.149 1.00 0.00 N ATOM 1227 CA MET A 75 -13.244 10.717 2.312 1.00 0.00 C ATOM 1228 C MET A 75 -14.134 11.662 3.128 1.00 0.00 C ATOM 1229 O MET A 75 -14.050 12.876 2.977 1.00 0.00 O ATOM 1230 CB MET A 75 -14.088 9.827 1.395 1.00 0.00 C ATOM 1231 CG MET A 75 -13.519 9.775 -0.022 1.00 0.00 C ATOM 1232 SD MET A 75 -13.831 11.333 -0.928 1.00 0.00 S ATOM 1233 CE MET A 75 -13.490 10.785 -2.586 1.00 0.00 C ATOM 0 H MET A 75 -12.741 8.904 3.227 1.00 0.00 H new ATOM 0 HA MET A 75 -12.595 11.363 1.721 1.00 0.00 H new ATOM 0 HB2 MET A 75 -14.132 8.819 1.807 1.00 0.00 H new ATOM 0 HB3 MET A 75 -15.110 10.203 1.363 1.00 0.00 H new ATOM 0 HG2 MET A 75 -12.446 9.587 0.022 1.00 0.00 H new ATOM 0 HG3 MET A 75 -13.966 8.942 -0.564 1.00 0.00 H new ATOM 0 HE1 MET A 75 -13.631 11.614 -3.279 1.00 0.00 H new ATOM 0 HE2 MET A 75 -12.461 10.431 -2.648 1.00 0.00 H new ATOM 0 HE3 MET A 75 -14.169 9.973 -2.848 1.00 0.00 H new ATOM 1243 N LYS A 76 -14.994 11.074 3.963 1.00 0.00 N ATOM 1244 CA LYS A 76 -15.903 11.836 4.838 1.00 0.00 C ATOM 1245 C LYS A 76 -15.244 12.419 6.091 1.00 0.00 C ATOM 1246 O LYS A 76 -15.417 13.595 6.402 1.00 0.00 O ATOM 1247 CB LYS A 76 -17.116 10.982 5.212 1.00 0.00 C ATOM 1248 CG LYS A 76 -18.298 11.335 4.310 1.00 0.00 C ATOM 1249 CD LYS A 76 -18.931 12.672 4.708 1.00 0.00 C ATOM 1250 CE LYS A 76 -19.040 13.611 3.506 1.00 0.00 C ATOM 1251 NZ LYS A 76 -20.116 14.589 3.717 1.00 0.00 N ATOM 0 H LYS A 76 -15.084 10.062 4.055 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.219 12.700 4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.873 9.924 5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.381 11.149 6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -17.964 11.384 3.274 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.048 10.546 4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.922 12.498 5.128 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.333 13.143 5.488 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.093 14.129 3.354 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.236 13.034 2.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -20.178 15.220 2.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.020 14.090 3.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -19.913 15.151 4.568 1.00 0.00 H new ATOM 1265 N SER A 77 -14.480 11.577 6.774 1.00 0.00 N ATOM 1266 CA SER A 77 -13.676 12.001 7.935 1.00 0.00 C ATOM 1267 C SER A 77 -12.542 12.920 7.460 1.00 0.00 C ATOM 1268 O SER A 77 -12.355 13.967 8.069 1.00 0.00 O ATOM 1269 CB SER A 77 -13.138 10.796 8.718 1.00 0.00 C ATOM 1270 OG SER A 77 -12.666 11.201 10.002 1.00 0.00 O ATOM 0 H SER A 77 -14.393 10.586 6.549 1.00 0.00 H new ATOM 0 HA SER A 77 -14.314 12.557 8.622 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.924 10.050 8.832 1.00 0.00 H new ATOM 0 HB3 SER A 77 -12.329 10.324 8.160 1.00 0.00 H new ATOM 0 HG SER A 77 -12.487 12.165 9.996 1.00 0.00 H new ATOM 1276 N GLY A 78 -11.847 12.566 6.358 1.00 0.00 N ATOM 1277 CA GLY A 78 -10.773 13.417 5.785 1.00 0.00 C ATOM 1278 C GLY A 78 -9.778 13.928 6.834 1.00 0.00 C ATOM 1279 O GLY A 78 -9.145 14.974 6.696 1.00 0.00 O ATOM 0 H GLY A 78 -12.007 11.699 5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -10.232 12.847 5.029 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.226 14.269 5.279 1.00 0.00 H new ATOM 1283 N ASN A 79 -9.615 13.105 7.862 1.00 0.00 N ATOM 1284 CA ASN A 79 -8.834 13.451 9.046 1.00 0.00 C ATOM 1285 C ASN A 79 -7.526 12.687 8.943 1.00 0.00 C ATOM 1286 O ASN A 79 -7.498 11.455 8.878 1.00 0.00 O ATOM 1287 CB ASN A 79 -9.585 13.092 10.335 1.00 0.00 C ATOM 1288 CG ASN A 79 -10.479 14.232 10.832 1.00 0.00 C ATOM 1289 OD1 ASN A 79 -11.690 14.255 10.668 1.00 0.00 O ATOM 1290 ND2 ASN A 79 -9.917 15.113 11.633 1.00 0.00 N ATOM 0 H ASN A 79 -10.024 12.171 7.899 1.00 0.00 H new ATOM 0 HA ASN A 79 -8.654 14.525 9.089 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -10.195 12.206 10.161 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -8.864 12.835 11.112 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -10.492 15.807 12.111 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -8.907 15.101 11.776 1.00 0.00 H new ATOM 1297 N VAL A 80 -6.462 13.479 9.000 1.00 0.00 N ATOM 1298 CA VAL A 80 -5.071 12.979 9.056 1.00 0.00 C ATOM 1299 C VAL A 80 -4.901 11.971 10.206 1.00 0.00 C ATOM 1300 O VAL A 80 -4.077 11.072 10.098 1.00 0.00 O ATOM 1301 CB VAL A 80 -4.076 14.154 9.123 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -2.626 13.719 9.359 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -4.104 14.938 7.809 1.00 0.00 C ATOM 0 H VAL A 80 -6.528 14.497 9.009 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.846 12.436 8.138 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.396 14.759 9.971 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.983 14.599 9.394 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.557 13.181 10.304 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.305 13.068 8.546 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.398 15.767 7.865 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -3.826 14.279 6.986 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.108 15.327 7.639 1.00 0.00 H new ATOM 1313 N LYS A 81 -5.823 11.992 11.168 1.00 0.00 N ATOM 1314 CA LYS A 81 -5.939 10.954 12.198 1.00 0.00 C ATOM 1315 C LYS A 81 -6.042 9.512 11.659 1.00 0.00 C ATOM 1316 O LYS A 81 -5.569 8.585 12.299 1.00 0.00 O ATOM 1317 CB LYS A 81 -7.087 11.274 13.160 1.00 0.00 C ATOM 1318 CG LYS A 81 -6.559 11.734 14.525 1.00 0.00 C ATOM 1319 CD LYS A 81 -5.611 10.672 15.090 1.00 0.00 C ATOM 1320 CE LYS A 81 -5.641 10.542 16.605 1.00 0.00 C ATOM 1321 NZ LYS A 81 -5.197 9.177 16.911 1.00 0.00 N ATOM 0 H LYS A 81 -6.517 12.734 11.257 1.00 0.00 H new ATOM 0 HA LYS A 81 -4.994 10.977 12.741 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -7.718 12.052 12.731 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.713 10.391 13.289 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -6.037 12.685 14.423 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -7.389 11.898 15.212 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.863 9.707 14.650 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -4.594 10.908 14.778 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.986 11.278 17.071 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.645 10.720 16.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.199 9.034 17.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.842 8.494 16.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.235 9.034 16.544 1.00 0.00 H new ATOM 1335 N ASP A 82 -6.517 9.359 10.427 1.00 0.00 N ATOM 1336 CA ASP A 82 -6.479 8.065 9.707 1.00 0.00 C ATOM 1337 C ASP A 82 -5.176 7.868 8.910 1.00 0.00 C ATOM 1338 O ASP A 82 -4.569 6.800 8.953 1.00 0.00 O ATOM 1339 CB ASP A 82 -7.691 7.923 8.779 1.00 0.00 C ATOM 1340 CG ASP A 82 -9.054 7.976 9.485 1.00 0.00 C ATOM 1341 OD1 ASP A 82 -9.095 7.810 10.725 1.00 0.00 O ATOM 1342 OD2 ASP A 82 -10.042 8.175 8.746 1.00 0.00 O ATOM 0 H ASP A 82 -6.940 10.117 9.891 1.00 0.00 H new ATOM 0 HA ASP A 82 -6.515 7.285 10.468 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -7.654 8.716 8.032 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -7.612 6.977 8.244 1.00 0.00 H new ATOM 1347 N LEU A 83 -4.668 8.964 8.349 1.00 0.00 N ATOM 1348 CA LEU A 83 -3.423 9.002 7.556 1.00 0.00 C ATOM 1349 C LEU A 83 -2.152 8.759 8.379 1.00 0.00 C ATOM 1350 O LEU A 83 -1.322 7.937 8.005 1.00 0.00 O ATOM 1351 CB LEU A 83 -3.311 10.326 6.784 1.00 0.00 C ATOM 1352 CG LEU A 83 -4.094 10.372 5.461 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -3.652 9.227 4.546 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -5.613 10.392 5.657 1.00 0.00 C ATOM 0 H LEU A 83 -5.116 9.877 8.431 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.495 8.171 6.855 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -3.662 11.135 7.425 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.259 10.519 6.574 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.854 11.319 4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.213 9.270 3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -2.587 9.321 4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.841 8.273 5.039 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.105 10.424 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.923 9.494 6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.894 11.272 6.235 1.00 0.00 H new ATOM 1366 N THR A 84 -2.114 9.336 9.577 1.00 0.00 N ATOM 1367 CA THR A 84 -1.061 9.099 10.588 1.00 0.00 C ATOM 1368 C THR A 84 -0.949 7.604 10.965 1.00 0.00 C ATOM 1369 O THR A 84 0.148 7.060 11.056 1.00 0.00 O ATOM 1370 CB THR A 84 -1.252 10.002 11.825 1.00 0.00 C ATOM 1371 OG1 THR A 84 -0.177 9.796 12.740 1.00 0.00 O ATOM 1372 CG2 THR A 84 -2.577 9.813 12.568 1.00 0.00 C ATOM 0 H THR A 84 -2.825 9.997 9.889 1.00 0.00 H new ATOM 0 HA THR A 84 -0.108 9.376 10.137 1.00 0.00 H new ATOM 0 HB THR A 84 -1.266 11.020 11.437 1.00 0.00 H new ATOM 0 HG1 THR A 84 -0.300 10.371 13.524 1.00 0.00 H new ATOM 0 HG21 THR A 84 -2.616 10.491 13.420 1.00 0.00 H new ATOM 0 HG22 THR A 84 -3.406 10.029 11.894 1.00 0.00 H new ATOM 0 HG23 THR A 84 -2.654 8.784 12.919 1.00 0.00 H new ATOM 1380 N GLN A 85 -2.092 6.920 10.965 1.00 0.00 N ATOM 1381 CA GLN A 85 -2.155 5.453 11.139 1.00 0.00 C ATOM 1382 C GLN A 85 -1.806 4.677 9.862 1.00 0.00 C ATOM 1383 O GLN A 85 -1.023 3.732 9.907 1.00 0.00 O ATOM 1384 CB GLN A 85 -3.530 5.009 11.638 1.00 0.00 C ATOM 1385 CG GLN A 85 -3.541 4.760 13.151 1.00 0.00 C ATOM 1386 CD GLN A 85 -3.475 6.024 14.012 1.00 0.00 C ATOM 1387 OE1 GLN A 85 -3.926 7.104 13.667 1.00 0.00 O ATOM 1388 NE2 GLN A 85 -2.914 5.921 15.191 1.00 0.00 N ATOM 0 H GLN A 85 -3.005 7.358 10.845 1.00 0.00 H new ATOM 0 HA GLN A 85 -1.399 5.218 11.888 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.269 5.772 11.391 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -3.827 4.098 11.119 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.446 4.210 13.408 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -2.696 4.120 13.405 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.531 5.027 15.497 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -2.860 6.735 15.803 1.00 0.00 H new ATOM 1397 N ALA A 86 -2.311 5.154 8.725 1.00 0.00 N ATOM 1398 CA ALA A 86 -1.998 4.600 7.396 1.00 0.00 C ATOM 1399 C ALA A 86 -0.489 4.632 7.104 1.00 0.00 C ATOM 1400 O ALA A 86 0.069 3.577 6.832 1.00 0.00 O ATOM 1401 CB ALA A 86 -2.793 5.353 6.329 1.00 0.00 C ATOM 0 H ALA A 86 -2.956 5.944 8.694 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.292 3.551 7.379 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.561 4.943 5.346 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.860 5.244 6.525 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.526 6.409 6.354 1.00 0.00 H new ATOM 1407 N TRP A 87 0.177 5.708 7.533 1.00 0.00 N ATOM 1408 CA TRP A 87 1.646 5.861 7.471 1.00 0.00 C ATOM 1409 C TRP A 87 2.337 4.786 8.315 1.00 0.00 C ATOM 1410 O TRP A 87 3.259 4.143 7.830 1.00 0.00 O ATOM 1411 CB TRP A 87 2.057 7.280 7.896 1.00 0.00 C ATOM 1412 CG TRP A 87 3.300 7.378 8.803 1.00 0.00 C ATOM 1413 CD1 TRP A 87 3.259 7.556 10.123 1.00 0.00 C ATOM 1414 CD2 TRP A 87 4.620 7.180 8.449 1.00 0.00 C ATOM 1415 NE1 TRP A 87 4.494 7.479 10.614 1.00 0.00 N ATOM 1416 CE2 TRP A 87 5.354 7.262 9.635 1.00 0.00 C ATOM 1417 CE3 TRP A 87 5.267 6.923 7.247 1.00 0.00 C ATOM 1418 CZ2 TRP A 87 6.734 7.110 9.608 1.00 0.00 C ATOM 1419 CZ3 TRP A 87 6.658 6.813 7.224 1.00 0.00 C ATOM 1420 CH2 TRP A 87 7.386 6.905 8.395 1.00 0.00 C ATOM 0 H TRP A 87 -0.292 6.516 7.942 1.00 0.00 H new ATOM 0 HA TRP A 87 1.972 5.722 6.440 1.00 0.00 H new ATOM 0 HB2 TRP A 87 2.240 7.869 6.997 1.00 0.00 H new ATOM 0 HB3 TRP A 87 1.216 7.741 8.414 1.00 0.00 H new ATOM 0 HD1 TRP A 87 2.365 7.734 10.703 1.00 0.00 H new ATOM 0 HE1 TRP A 87 4.740 7.573 11.599 1.00 0.00 H new ATOM 0 HE3 TRP A 87 4.697 6.809 6.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 7.301 7.151 10.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 7.169 6.655 6.285 1.00 0.00 H new ATOM 0 HH2 TRP A 87 8.462 6.818 8.369 1.00 0.00 H new ATOM 1431 N ASP A 88 1.748 4.483 9.468 1.00 0.00 N ATOM 1432 CA ASP A 88 2.249 3.415 10.346 1.00 0.00 C ATOM 1433 C ASP A 88 2.079 2.059 9.655 1.00 0.00 C ATOM 1434 O ASP A 88 3.081 1.409 9.434 1.00 0.00 O ATOM 1435 CB ASP A 88 1.578 3.435 11.724 1.00 0.00 C ATOM 1436 CG ASP A 88 2.077 2.331 12.671 1.00 0.00 C ATOM 1437 OD1 ASP A 88 3.219 1.854 12.480 1.00 0.00 O ATOM 1438 OD2 ASP A 88 1.275 1.952 13.550 1.00 0.00 O ATOM 0 H ASP A 88 0.919 4.961 9.823 1.00 0.00 H new ATOM 0 HA ASP A 88 3.310 3.589 10.524 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.751 4.406 12.189 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.501 3.331 11.595 1.00 0.00 H new ATOM 1443 N LEU A 89 0.917 1.790 9.065 1.00 0.00 N ATOM 1444 CA LEU A 89 0.669 0.518 8.356 1.00 0.00 C ATOM 1445 C LEU A 89 1.545 0.379 7.103 1.00 0.00 C ATOM 1446 O LEU A 89 2.198 -0.643 6.925 1.00 0.00 O ATOM 1447 CB LEU A 89 -0.818 0.399 8.013 1.00 0.00 C ATOM 1448 CG LEU A 89 -1.687 0.391 9.277 1.00 0.00 C ATOM 1449 CD1 LEU A 89 -3.149 0.664 8.923 1.00 0.00 C ATOM 1450 CD2 LEU A 89 -1.566 -0.939 10.026 1.00 0.00 C ATOM 0 H LEU A 89 0.124 2.432 9.059 1.00 0.00 H new ATOM 0 HA LEU A 89 0.945 -0.302 9.019 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.113 1.231 7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.990 -0.516 7.446 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.327 1.184 9.933 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.751 0.655 9.832 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.231 1.639 8.443 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.508 -0.107 8.242 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.194 -0.913 10.917 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.890 -1.753 9.377 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.528 -1.099 10.318 1.00 0.00 H new ATOM 1462 N TYR A 90 1.708 1.487 6.391 1.00 0.00 N ATOM 1463 CA TYR A 90 2.588 1.634 5.222 1.00 0.00 C ATOM 1464 C TYR A 90 4.075 1.456 5.548 1.00 0.00 C ATOM 1465 O TYR A 90 4.733 0.675 4.878 1.00 0.00 O ATOM 1466 CB TYR A 90 2.362 3.013 4.600 1.00 0.00 C ATOM 1467 CG TYR A 90 0.949 3.214 4.044 1.00 0.00 C ATOM 1468 CD1 TYR A 90 0.226 2.163 3.498 1.00 0.00 C ATOM 1469 CD2 TYR A 90 0.399 4.492 4.055 1.00 0.00 C ATOM 1470 CE1 TYR A 90 -1.017 2.385 2.936 1.00 0.00 C ATOM 1471 CE2 TYR A 90 -0.862 4.708 3.532 1.00 0.00 C ATOM 1472 CZ TYR A 90 -1.566 3.657 2.957 1.00 0.00 C ATOM 1473 OH TYR A 90 -2.816 3.853 2.487 1.00 0.00 O ATOM 0 H TYR A 90 1.212 2.349 6.616 1.00 0.00 H new ATOM 0 HA TYR A 90 2.328 0.838 4.524 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.559 3.777 5.352 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.084 3.162 3.797 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.637 1.165 3.512 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.958 5.316 4.473 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -1.559 1.569 2.482 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.300 5.694 3.570 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.053 4.800 2.573 1.00 0.00 H new ATOM 1483 N TYR A 91 4.523 2.077 6.632 1.00 0.00 N ATOM 1484 CA TYR A 91 5.917 2.035 7.118 1.00 0.00 C ATOM 1485 C TYR A 91 6.256 0.722 7.848 1.00 0.00 C ATOM 1486 O TYR A 91 7.277 0.094 7.586 1.00 0.00 O ATOM 1487 CB TYR A 91 6.119 3.234 8.048 1.00 0.00 C ATOM 1488 CG TYR A 91 7.586 3.525 8.340 1.00 0.00 C ATOM 1489 CD1 TYR A 91 8.483 3.711 7.296 1.00 0.00 C ATOM 1490 CD2 TYR A 91 8.015 3.609 9.658 1.00 0.00 C ATOM 1491 CE1 TYR A 91 9.814 3.977 7.567 1.00 0.00 C ATOM 1492 CE2 TYR A 91 9.345 3.879 9.934 1.00 0.00 C ATOM 1493 CZ TYR A 91 10.241 4.074 8.886 1.00 0.00 C ATOM 1494 OH TYR A 91 11.521 4.431 9.145 1.00 0.00 O ATOM 0 H TYR A 91 3.916 2.644 7.223 1.00 0.00 H new ATOM 0 HA TYR A 91 6.590 2.081 6.262 1.00 0.00 H new ATOM 0 HB2 TYR A 91 5.663 4.116 7.598 1.00 0.00 H new ATOM 0 HB3 TYR A 91 5.598 3.049 8.987 1.00 0.00 H new ATOM 0 HD1 TYR A 91 8.142 3.648 6.273 1.00 0.00 H new ATOM 0 HD2 TYR A 91 7.313 3.464 10.466 1.00 0.00 H new ATOM 0 HE1 TYR A 91 10.517 4.108 6.758 1.00 0.00 H new ATOM 0 HE2 TYR A 91 9.686 3.938 10.957 1.00 0.00 H new ATOM 0 HH TYR A 91 11.664 4.455 10.114 1.00 0.00 H new ATOM 1504 N HIS A 92 5.298 0.258 8.643 1.00 0.00 N ATOM 1505 CA HIS A 92 5.364 -1.017 9.387 1.00 0.00 C ATOM 1506 C HIS A 92 5.393 -2.182 8.394 1.00 0.00 C ATOM 1507 O HIS A 92 6.203 -3.090 8.538 1.00 0.00 O ATOM 1508 CB HIS A 92 4.152 -1.146 10.309 1.00 0.00 C ATOM 1509 CG HIS A 92 4.242 -2.379 11.226 1.00 0.00 C ATOM 1510 ND1 HIS A 92 5.129 -2.536 12.180 1.00 0.00 N ATOM 1511 CD2 HIS A 92 3.452 -3.439 11.173 1.00 0.00 C ATOM 1512 CE1 HIS A 92 4.899 -3.732 12.745 1.00 0.00 C ATOM 1513 NE2 HIS A 92 3.869 -4.282 12.120 1.00 0.00 N ATOM 0 H HIS A 92 4.426 0.764 8.799 1.00 0.00 H new ATOM 0 HA HIS A 92 6.269 -1.036 9.994 1.00 0.00 H new ATOM 0 HB2 HIS A 92 4.066 -0.247 10.920 1.00 0.00 H new ATOM 0 HB3 HIS A 92 3.246 -1.210 9.707 1.00 0.00 H new ATOM 0 HD2 HIS A 92 2.627 -3.593 10.493 1.00 0.00 H new ATOM 0 HE1 HIS A 92 5.454 -4.167 13.563 1.00 0.00 H new ATOM 0 HE2 HIS A 92 3.463 -5.195 12.327 1.00 0.00 H new ATOM 1521 N VAL A 93 4.580 -2.069 7.347 1.00 0.00 N ATOM 1522 CA VAL A 93 4.573 -3.052 6.258 1.00 0.00 C ATOM 1523 C VAL A 93 5.742 -2.860 5.284 1.00 0.00 C ATOM 1524 O VAL A 93 6.250 -3.855 4.792 1.00 0.00 O ATOM 1525 CB VAL A 93 3.202 -3.140 5.575 1.00 0.00 C ATOM 1526 CG1 VAL A 93 2.963 -2.193 4.392 1.00 0.00 C ATOM 1527 CG2 VAL A 93 2.957 -4.600 5.216 1.00 0.00 C ATOM 0 H VAL A 93 3.914 -1.306 7.226 1.00 0.00 H new ATOM 0 HA VAL A 93 4.741 -4.031 6.706 1.00 0.00 H new ATOM 0 HB VAL A 93 2.465 -2.778 6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.960 -2.351 3.996 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.062 -1.160 4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.697 -2.393 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.987 -4.697 4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 93 3.740 -4.945 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.968 -5.205 6.123 1.00 0.00 H new ATOM 1537 N PHE A 94 6.201 -1.626 5.105 1.00 0.00 N ATOM 1538 CA PHE A 94 7.345 -1.267 4.239 1.00 0.00 C ATOM 1539 C PHE A 94 8.577 -2.157 4.461 1.00 0.00 C ATOM 1540 O PHE A 94 9.314 -2.414 3.517 1.00 0.00 O ATOM 1541 CB PHE A 94 7.671 0.214 4.470 1.00 0.00 C ATOM 1542 CG PHE A 94 8.967 0.677 3.823 1.00 0.00 C ATOM 1543 CD1 PHE A 94 9.035 0.857 2.443 1.00 0.00 C ATOM 1544 CD2 PHE A 94 10.095 0.847 4.615 1.00 0.00 C ATOM 1545 CE1 PHE A 94 10.237 1.204 1.864 1.00 0.00 C ATOM 1546 CE2 PHE A 94 11.298 1.198 4.032 1.00 0.00 C ATOM 1547 CZ PHE A 94 11.374 1.378 2.652 1.00 0.00 C ATOM 0 H PHE A 94 5.784 -0.817 5.566 1.00 0.00 H new ATOM 0 HA PHE A 94 7.061 -1.436 3.200 1.00 0.00 H new ATOM 0 HB2 PHE A 94 6.850 0.819 4.085 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.728 0.399 5.543 1.00 0.00 H new ATOM 0 HD1 PHE A 94 8.154 0.726 1.832 1.00 0.00 H new ATOM 0 HD2 PHE A 94 10.032 0.705 5.684 1.00 0.00 H new ATOM 0 HE1 PHE A 94 10.298 1.342 0.795 1.00 0.00 H new ATOM 0 HE2 PHE A 94 12.177 1.333 4.644 1.00 0.00 H new ATOM 0 HZ PHE A 94 12.313 1.652 2.194 1.00 0.00 H new ATOM 1557 N ARG A 95 8.692 -2.678 5.679 1.00 0.00 N ATOM 1558 CA ARG A 95 9.715 -3.665 6.065 1.00 0.00 C ATOM 1559 C ARG A 95 9.216 -5.127 5.981 1.00 0.00 C ATOM 1560 O ARG A 95 9.953 -6.022 5.570 1.00 0.00 O ATOM 1561 CB ARG A 95 10.258 -3.279 7.451 1.00 0.00 C ATOM 1562 CG ARG A 95 9.326 -3.492 8.651 1.00 0.00 C ATOM 1563 CD ARG A 95 9.369 -4.957 9.104 1.00 0.00 C ATOM 1564 NE ARG A 95 9.529 -5.056 10.555 1.00 0.00 N ATOM 1565 CZ ARG A 95 10.632 -4.716 11.233 1.00 0.00 C ATOM 1566 NH1 ARG A 95 11.751 -4.358 10.615 1.00 0.00 N ATOM 1567 NH2 ARG A 95 10.631 -4.797 12.546 1.00 0.00 N ATOM 0 H ARG A 95 8.068 -2.426 6.446 1.00 0.00 H new ATOM 0 HA ARG A 95 10.533 -3.636 5.345 1.00 0.00 H new ATOM 0 HB2 ARG A 95 11.171 -3.848 7.627 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.538 -2.226 7.423 1.00 0.00 H new ATOM 0 HG2 ARG A 95 9.625 -2.841 9.473 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.306 -3.217 8.382 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.451 -5.461 8.801 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.193 -5.470 8.608 1.00 0.00 H new ATOM 0 HE ARG A 95 8.738 -5.412 11.092 1.00 0.00 H new ATOM 0 HH11 ARG A 95 11.786 -4.337 9.596 1.00 0.00 H new ATOM 0 HH12 ARG A 95 12.575 -4.104 11.159 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.796 -5.116 13.037 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.466 -4.541 13.073 1.00 0.00 H new ATOM 1581 N ARG A 96 7.953 -5.342 6.356 1.00 0.00 N ATOM 1582 CA ARG A 96 7.244 -6.643 6.360 1.00 0.00 C ATOM 1583 C ARG A 96 7.110 -7.221 4.943 1.00 0.00 C ATOM 1584 O ARG A 96 7.833 -8.143 4.573 1.00 0.00 O ATOM 1585 CB ARG A 96 5.845 -6.492 6.978 1.00 0.00 C ATOM 1586 CG ARG A 96 5.821 -6.065 8.444 1.00 0.00 C ATOM 1587 CD ARG A 96 6.392 -7.136 9.369 1.00 0.00 C ATOM 1588 NE ARG A 96 6.462 -6.593 10.735 1.00 0.00 N ATOM 1589 CZ ARG A 96 6.681 -7.313 11.839 1.00 0.00 C ATOM 1590 NH1 ARG A 96 6.766 -8.635 11.790 1.00 0.00 N ATOM 1591 NH2 ARG A 96 6.744 -6.725 13.022 1.00 0.00 N ATOM 0 H ARG A 96 7.359 -4.581 6.683 1.00 0.00 H new ATOM 0 HA ARG A 96 7.839 -7.331 6.960 1.00 0.00 H new ATOM 0 HB2 ARG A 96 5.285 -5.761 6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.320 -7.443 6.885 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.393 -5.144 8.561 1.00 0.00 H new ATOM 0 HG3 ARG A 96 4.795 -5.843 8.739 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.764 -8.027 9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 96 7.384 -7.437 9.031 1.00 0.00 H new ATOM 0 HE ARG A 96 6.333 -5.587 10.848 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.664 -9.120 10.898 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.934 -9.167 12.644 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.625 -5.715 13.096 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.912 -7.282 13.860 1.00 0.00 H new ATOM 1605 N ILE A 97 6.332 -6.522 4.116 1.00 0.00 N ATOM 1606 CA ILE A 97 6.156 -6.843 2.682 1.00 0.00 C ATOM 1607 C ILE A 97 7.465 -6.725 1.890 1.00 0.00 C ATOM 1608 O ILE A 97 7.569 -7.309 0.814 1.00 0.00 O ATOM 1609 CB ILE A 97 5.065 -6.018 1.977 1.00 0.00 C ATOM 1610 CG1 ILE A 97 5.237 -4.512 2.207 1.00 0.00 C ATOM 1611 CG2 ILE A 97 3.699 -6.525 2.434 1.00 0.00 C ATOM 1612 CD1 ILE A 97 4.918 -3.606 1.025 1.00 0.00 C ATOM 0 H ILE A 97 5.797 -5.707 4.417 1.00 0.00 H new ATOM 0 HA ILE A 97 5.827 -7.882 2.689 1.00 0.00 H new ATOM 0 HB ILE A 97 5.152 -6.154 0.899 1.00 0.00 H new ATOM 0 HG12 ILE A 97 4.602 -4.219 3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.268 -4.328 2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.914 -5.950 1.943 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.595 -7.578 2.172 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.611 -6.410 3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.077 -2.566 1.310 1.00 0.00 H new ATOM 0 HD12 ILE A 97 5.570 -3.857 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.878 -3.746 0.729 1.00 0.00 H new ATOM 1624 N SER A 98 8.417 -5.978 2.450 1.00 0.00 N ATOM 1625 CA SER A 98 9.789 -5.863 1.917 1.00 0.00 C ATOM 1626 C SER A 98 10.469 -7.227 1.813 1.00 0.00 C ATOM 1627 O SER A 98 10.952 -7.590 0.744 1.00 0.00 O ATOM 1628 CB SER A 98 10.637 -4.914 2.778 1.00 0.00 C ATOM 1629 OG SER A 98 12.032 -5.229 2.867 1.00 0.00 O ATOM 0 H SER A 98 8.263 -5.428 3.295 1.00 0.00 H new ATOM 0 HA SER A 98 9.709 -5.447 0.913 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.537 -3.905 2.379 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.222 -4.900 3.786 1.00 0.00 H new ATOM 0 HG SER A 98 12.481 -4.567 3.433 1.00 0.00 H new ATOM 1635 N LYS A 99 10.334 -8.009 2.888 1.00 0.00 N ATOM 1636 CA LYS A 99 11.046 -9.291 3.055 1.00 0.00 C ATOM 1637 C LYS A 99 12.573 -9.117 2.983 1.00 0.00 C ATOM 1638 O LYS A 99 13.292 -9.881 2.334 1.00 0.00 O ATOM 1639 CB LYS A 99 10.576 -10.358 2.054 1.00 0.00 C ATOM 1640 CG LYS A 99 9.322 -11.106 2.498 1.00 0.00 C ATOM 1641 CD LYS A 99 9.402 -12.537 1.957 1.00 0.00 C ATOM 1642 CE LYS A 99 9.686 -13.525 3.091 1.00 0.00 C ATOM 1643 NZ LYS A 99 9.990 -14.866 2.571 1.00 0.00 N ATOM 0 H LYS A 99 9.727 -7.775 3.673 1.00 0.00 H new ATOM 0 HA LYS A 99 10.794 -9.645 4.055 1.00 0.00 H new ATOM 0 HB2 LYS A 99 10.383 -9.882 1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.381 -11.076 1.898 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.249 -11.114 3.586 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.429 -10.607 2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.465 -12.799 1.465 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.187 -12.604 1.204 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.525 -13.166 3.687 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.823 -13.578 3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.178 -15.512 3.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.179 -15.218 2.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 10.828 -14.819 1.958 1.00 0.00 H new ATOM 1657 N GLN A 100 13.065 -8.066 3.648 1.00 0.00 N ATOM 1658 CA GLN A 100 14.515 -7.803 3.785 1.00 0.00 C ATOM 1659 C GLN A 100 15.334 -9.068 4.144 1.00 0.00 C ATOM 1660 O GLN A 100 14.778 -9.957 4.830 1.00 0.00 O ATOM 1661 CB GLN A 100 14.723 -6.710 4.846 1.00 0.00 C ATOM 1662 CG GLN A 100 16.178 -6.226 4.974 1.00 0.00 C ATOM 1663 CD GLN A 100 16.581 -5.173 3.940 1.00 0.00 C ATOM 1664 OE1 GLN A 100 16.766 -4.002 4.259 1.00 0.00 O ATOM 1665 NE2 GLN A 100 16.818 -5.554 2.707 1.00 0.00 N ATOM 1666 OXT GLN A 100 16.518 -9.099 3.741 1.00 99.99 O ATOM 0 H GLN A 100 12.477 -7.371 4.108 1.00 0.00 H new ATOM 0 HA GLN A 100 14.884 -7.471 2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 100 14.088 -5.858 4.603 1.00 0.00 H new ATOM 0 HB3 GLN A 100 14.391 -7.089 5.813 1.00 0.00 H new ATOM 0 HG2 GLN A 100 16.326 -5.814 5.972 1.00 0.00 H new ATOM 0 HG3 GLN A 100 16.844 -7.084 4.881 1.00 0.00 H new ATOM 0 HE21 GLN A 100 16.666 -6.525 2.435 1.00 0.00 H new ATOM 0 HE22 GLN A 100 17.154 -4.879 2.020 1.00 0.00 H new TER 1675 GLN A 100