USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 635 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 23 THR OG1 : rot -18:sc= 0.741 USER MOD Set 1.2: A 26 THR OG1 : rot -140:sc= 1.31 USER MOD Single : A 3 THR OG1 : rot -140:sc= -0.289 USER MOD Single : A 8 THR OG1 : rot 51:sc= 1.07 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 86:sc= 0.0351 USER MOD Single : A 27 SER OG : rot 63:sc= 0.164 USER MOD Single : A 29 ASN : amide:sc= -0.273 X(o=-0.27,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -170:sc= 0.036 USER MOD Single : A 39 HIS : no HD1:sc= 0.284 K(o=0.28,f=-4.4!) USER MOD Single : A 40 MET CE :methyl -166:sc= -0.0352 (180deg=-0.286) USER MOD Single : A 41 ASN : amide:sc= -0.248 K(o=-0.25,f=-0.88) USER MOD Single : A 45 SER OG : rot 85:sc= 1.2 USER MOD Single : A 49 HIS :FLIP no HD1:sc= 0 F(o=-0.53,f=0) USER MOD Single : A 50 TYR OH : rot 165:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 169:sc= 0.571 (180deg=0.436) USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= 0.247 (180deg=0.211) USER MOD Single : A 60 GLN : amide:sc= -0.416 K(o=-0.42,f=-4.3!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.98 K(o=-0.98,f=-3.3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 174:sc= 1.26 (180deg=1.07) USER MOD Single : A 79 LYS NZ :NH3+ -161:sc= 1.29 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 20 N PRO A 2 -11.233 4.340 5.219 1.00 0.00 N ATOM 21 CA PRO A 2 -10.978 5.485 6.122 1.00 0.00 C ATOM 22 C PRO A 2 -9.563 6.096 5.955 1.00 0.00 C ATOM 23 O PRO A 2 -9.275 7.148 6.542 1.00 0.00 O ATOM 24 CB PRO A 2 -11.153 4.836 7.511 1.00 0.00 C ATOM 25 CG PRO A 2 -10.619 3.445 7.336 1.00 0.00 C ATOM 26 CD PRO A 2 -10.977 3.036 5.919 1.00 0.00 C ATOM 0 HA PRO A 2 -11.640 6.329 5.929 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -10.602 5.381 8.278 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.199 4.826 7.817 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.540 3.419 7.489 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -11.061 2.763 8.063 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -10.166 2.482 5.446 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -11.857 2.393 5.899 1.00 0.00 H new ATOM 34 N THR A 3 -8.700 5.428 5.152 1.00 0.00 N ATOM 35 CA THR A 3 -7.304 5.842 4.953 1.00 0.00 C ATOM 36 C THR A 3 -7.209 7.224 4.308 1.00 0.00 C ATOM 37 O THR A 3 -6.512 8.069 4.844 1.00 0.00 O ATOM 38 CB THR A 3 -6.505 4.811 4.099 1.00 0.00 C ATOM 39 OG1 THR A 3 -7.277 4.464 2.935 1.00 0.00 O ATOM 40 CG2 THR A 3 -6.152 3.547 4.906 1.00 0.00 C ATOM 0 H THR A 3 -8.958 4.591 4.629 1.00 0.00 H new ATOM 0 HA THR A 3 -6.857 5.888 5.946 1.00 0.00 H new ATOM 0 HB THR A 3 -5.564 5.271 3.797 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.189 3.504 2.758 1.00 0.00 H new ATOM 0 HG21 THR A 3 -5.596 2.855 4.274 1.00 0.00 H new ATOM 0 HG22 THR A 3 -5.542 3.823 5.766 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.068 3.067 5.250 1.00 0.00 H new ATOM 48 N LEU A 4 -7.949 7.449 3.193 1.00 0.00 N ATOM 49 CA LEU A 4 -7.920 8.724 2.427 1.00 0.00 C ATOM 50 C LEU A 4 -8.172 9.947 3.325 1.00 0.00 C ATOM 51 O LEU A 4 -7.470 10.950 3.218 1.00 0.00 O ATOM 52 CB LEU A 4 -8.976 8.702 1.296 1.00 0.00 C ATOM 53 CG LEU A 4 -8.753 7.655 0.164 1.00 0.00 C ATOM 54 CD1 LEU A 4 -9.927 7.660 -0.837 1.00 0.00 C ATOM 55 CD2 LEU A 4 -7.404 7.889 -0.554 1.00 0.00 C ATOM 0 H LEU A 4 -8.582 6.753 2.799 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.920 8.812 2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.953 8.519 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.013 9.693 0.843 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.715 6.668 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.744 6.920 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -10.852 7.416 -0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.016 8.648 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.275 7.144 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.395 8.886 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -6.589 7.803 0.165 1.00 0.00 H new ATOM 67 N ASP A 5 -9.172 9.814 4.218 1.00 0.00 N ATOM 68 CA ASP A 5 -9.546 10.846 5.213 1.00 0.00 C ATOM 69 C ASP A 5 -8.354 11.207 6.120 1.00 0.00 C ATOM 70 O ASP A 5 -8.093 12.384 6.387 1.00 0.00 O ATOM 71 CB ASP A 5 -10.726 10.342 6.076 1.00 0.00 C ATOM 72 CG ASP A 5 -11.949 9.969 5.227 1.00 0.00 C ATOM 73 OD1 ASP A 5 -12.026 8.811 4.751 1.00 0.00 O ATOM 74 OD2 ASP A 5 -12.833 10.828 5.016 1.00 0.00 O ATOM 0 H ASP A 5 -9.752 8.977 4.272 1.00 0.00 H new ATOM 0 HA ASP A 5 -9.846 11.744 4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.407 9.473 6.652 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.005 11.114 6.793 1.00 0.00 H new ATOM 79 N ALA A 6 -7.636 10.166 6.568 1.00 0.00 N ATOM 80 CA ALA A 6 -6.438 10.303 7.417 1.00 0.00 C ATOM 81 C ALA A 6 -5.233 10.818 6.600 1.00 0.00 C ATOM 82 O ALA A 6 -4.386 11.547 7.117 1.00 0.00 O ATOM 83 CB ALA A 6 -6.117 8.956 8.092 1.00 0.00 C ATOM 0 H ALA A 6 -7.870 9.197 6.351 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.643 11.041 8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.231 9.065 8.718 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.961 8.648 8.709 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.931 8.201 7.328 1.00 0.00 H new ATOM 89 N LEU A 7 -5.187 10.463 5.305 1.00 0.00 N ATOM 90 CA LEU A 7 -4.088 10.844 4.410 1.00 0.00 C ATOM 91 C LEU A 7 -4.213 12.335 4.016 1.00 0.00 C ATOM 92 O LEU A 7 -3.206 12.980 3.784 1.00 0.00 O ATOM 93 CB LEU A 7 -4.065 9.945 3.137 1.00 0.00 C ATOM 94 CG LEU A 7 -3.801 8.414 3.327 1.00 0.00 C ATOM 95 CD1 LEU A 7 -3.958 7.649 1.988 1.00 0.00 C ATOM 96 CD2 LEU A 7 -2.421 8.154 3.966 1.00 0.00 C ATOM 0 H LEU A 7 -5.911 9.905 4.852 1.00 0.00 H new ATOM 0 HA LEU A 7 -3.148 10.697 4.942 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.023 10.059 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.300 10.336 2.465 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.555 8.033 4.016 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -3.769 6.588 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -4.971 7.783 1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.245 8.037 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.271 7.081 4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.640 8.562 3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.376 8.636 4.943 1.00 0.00 H new ATOM 108 N THR A 8 -5.457 12.878 3.975 1.00 0.00 N ATOM 109 CA THR A 8 -5.727 14.261 3.491 1.00 0.00 C ATOM 110 C THR A 8 -4.888 15.355 4.238 1.00 0.00 C ATOM 111 O THR A 8 -4.245 16.167 3.558 1.00 0.00 O ATOM 112 CB THR A 8 -7.262 14.607 3.526 1.00 0.00 C ATOM 113 OG1 THR A 8 -8.001 13.610 2.804 1.00 0.00 O ATOM 114 CG2 THR A 8 -7.572 15.991 2.917 1.00 0.00 C ATOM 0 H THR A 8 -6.294 12.377 4.273 1.00 0.00 H new ATOM 0 HA THR A 8 -5.400 14.275 2.451 1.00 0.00 H new ATOM 0 HB THR A 8 -7.558 14.627 4.575 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.746 12.719 3.123 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.645 16.178 2.967 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.042 16.762 3.477 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.248 16.011 1.876 1.00 0.00 H new ATOM 122 N PRO A 9 -4.844 15.396 5.629 1.00 0.00 N ATOM 123 CA PRO A 9 -3.981 16.361 6.366 1.00 0.00 C ATOM 124 C PRO A 9 -2.476 16.139 6.102 1.00 0.00 C ATOM 125 O PRO A 9 -1.689 17.078 6.233 1.00 0.00 O ATOM 126 CB PRO A 9 -4.348 16.128 7.860 1.00 0.00 C ATOM 127 CG PRO A 9 -4.884 14.733 7.893 1.00 0.00 C ATOM 128 CD PRO A 9 -5.632 14.569 6.588 1.00 0.00 C ATOM 0 HA PRO A 9 -4.155 17.388 6.045 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.476 16.235 8.506 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -5.090 16.848 8.205 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.079 14.003 7.981 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -5.544 14.584 8.748 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.674 13.525 6.278 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.661 14.919 6.668 1.00 0.00 H new ATOM 136 N ILE A 10 -2.087 14.891 5.725 1.00 0.00 N ATOM 137 CA ILE A 10 -0.682 14.550 5.391 1.00 0.00 C ATOM 138 C ILE A 10 -0.284 15.242 4.070 1.00 0.00 C ATOM 139 O ILE A 10 0.748 15.899 4.001 1.00 0.00 O ATOM 140 CB ILE A 10 -0.431 12.993 5.260 1.00 0.00 C ATOM 141 CG1 ILE A 10 -0.932 12.217 6.528 1.00 0.00 C ATOM 142 CG2 ILE A 10 1.064 12.679 4.959 1.00 0.00 C ATOM 143 CD1 ILE A 10 -0.232 12.567 7.834 1.00 0.00 C ATOM 0 H ILE A 10 -2.731 14.104 5.646 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.067 14.904 6.218 1.00 0.00 H new ATOM 0 HB ILE A 10 -1.018 12.643 4.411 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.999 12.403 6.648 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.813 11.149 6.348 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.200 11.601 4.876 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.354 13.155 4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.686 13.061 5.768 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.656 11.973 8.644 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.833 12.352 7.745 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.372 13.626 8.049 1.00 0.00 H new ATOM 155 N PHE A 11 -1.155 15.118 3.049 1.00 0.00 N ATOM 156 CA PHE A 11 -0.928 15.697 1.705 1.00 0.00 C ATOM 157 C PHE A 11 -0.927 17.237 1.774 1.00 0.00 C ATOM 158 O PHE A 11 -0.043 17.892 1.210 1.00 0.00 O ATOM 159 CB PHE A 11 -2.022 15.206 0.709 1.00 0.00 C ATOM 160 CG PHE A 11 -1.881 13.749 0.239 1.00 0.00 C ATOM 161 CD1 PHE A 11 -1.856 12.693 1.144 1.00 0.00 C ATOM 162 CD2 PHE A 11 -1.789 13.440 -1.117 1.00 0.00 C ATOM 163 CE1 PHE A 11 -1.738 11.381 0.721 1.00 0.00 C ATOM 164 CE2 PHE A 11 -1.671 12.128 -1.535 1.00 0.00 C ATOM 165 CZ PHE A 11 -1.646 11.101 -0.620 1.00 0.00 C ATOM 0 H PHE A 11 -2.038 14.613 3.131 1.00 0.00 H new ATOM 0 HA PHE A 11 0.046 15.363 1.348 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.998 15.325 1.180 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.010 15.855 -0.167 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.930 12.902 2.201 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.810 14.234 -1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.718 10.579 1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.598 11.907 -2.590 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.554 10.078 -0.955 1.00 0.00 H new ATOM 175 N ARG A 12 -1.928 17.790 2.490 1.00 0.00 N ATOM 176 CA ARG A 12 -2.067 19.243 2.722 1.00 0.00 C ATOM 177 C ARG A 12 -0.834 19.814 3.450 1.00 0.00 C ATOM 178 O ARG A 12 -0.428 20.949 3.191 1.00 0.00 O ATOM 179 CB ARG A 12 -3.361 19.544 3.532 1.00 0.00 C ATOM 180 CG ARG A 12 -4.676 19.307 2.750 1.00 0.00 C ATOM 181 CD ARG A 12 -5.936 19.576 3.599 1.00 0.00 C ATOM 182 NE ARG A 12 -7.158 19.602 2.770 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.413 19.539 3.223 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.669 19.337 4.507 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.420 19.650 2.374 1.00 0.00 N ATOM 0 H ARG A 12 -2.667 17.238 2.926 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.139 19.731 1.750 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.368 18.922 4.427 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.333 20.581 3.865 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.692 19.952 1.871 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.699 18.278 2.391 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.031 18.805 4.363 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.828 20.528 4.118 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.032 19.675 1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.901 19.226 5.169 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.634 19.292 4.834 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.236 19.783 1.380 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.381 19.603 2.713 1.00 0.00 H new ATOM 199 N GLN A 13 -0.251 19.006 4.355 1.00 0.00 N ATOM 200 CA GLN A 13 0.952 19.378 5.122 1.00 0.00 C ATOM 201 C GLN A 13 2.198 19.426 4.209 1.00 0.00 C ATOM 202 O GLN A 13 2.898 20.447 4.171 1.00 0.00 O ATOM 203 CB GLN A 13 1.154 18.372 6.286 1.00 0.00 C ATOM 204 CG GLN A 13 2.424 18.574 7.135 1.00 0.00 C ATOM 205 CD GLN A 13 2.523 17.560 8.273 1.00 0.00 C ATOM 206 OE1 GLN A 13 2.075 17.812 9.391 1.00 0.00 O ATOM 207 NE2 GLN A 13 3.059 16.385 7.981 1.00 0.00 N ATOM 0 H GLN A 13 -0.602 18.074 4.575 1.00 0.00 H new ATOM 0 HA GLN A 13 0.814 20.377 5.536 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.287 18.428 6.944 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.174 17.364 5.871 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.303 18.489 6.497 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.427 19.583 7.548 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.421 16.208 7.044 1.00 0.00 H new ATOM 0 HE22 GLN A 13 3.110 15.656 8.693 1.00 0.00 H new ATOM 216 N VAL A 14 2.449 18.309 3.476 1.00 0.00 N ATOM 217 CA VAL A 14 3.616 18.162 2.570 1.00 0.00 C ATOM 218 C VAL A 14 3.666 19.302 1.528 1.00 0.00 C ATOM 219 O VAL A 14 4.664 20.022 1.438 1.00 0.00 O ATOM 220 CB VAL A 14 3.624 16.763 1.820 1.00 0.00 C ATOM 221 CG1 VAL A 14 4.811 16.666 0.827 1.00 0.00 C ATOM 222 CG2 VAL A 14 3.661 15.572 2.814 1.00 0.00 C ATOM 0 H VAL A 14 1.847 17.486 3.498 1.00 0.00 H new ATOM 0 HA VAL A 14 4.501 18.215 3.204 1.00 0.00 H new ATOM 0 HB VAL A 14 2.692 16.702 1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.790 15.697 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.729 17.459 0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.750 16.774 1.370 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.665 14.634 2.258 1.00 0.00 H new ATOM 0 HG22 VAL A 14 4.561 15.636 3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.782 15.608 3.458 1.00 0.00 H new ATOM 232 N PHE A 15 2.564 19.482 0.784 1.00 0.00 N ATOM 233 CA PHE A 15 2.489 20.469 -0.318 1.00 0.00 C ATOM 234 C PHE A 15 2.135 21.884 0.175 1.00 0.00 C ATOM 235 O PHE A 15 2.048 22.805 -0.650 1.00 0.00 O ATOM 236 CB PHE A 15 1.476 20.006 -1.388 1.00 0.00 C ATOM 237 CG PHE A 15 1.856 18.680 -2.038 1.00 0.00 C ATOM 238 CD1 PHE A 15 2.906 18.616 -2.950 1.00 0.00 C ATOM 239 CD2 PHE A 15 1.181 17.500 -1.726 1.00 0.00 C ATOM 240 CE1 PHE A 15 3.267 17.421 -3.524 1.00 0.00 C ATOM 241 CE2 PHE A 15 1.541 16.310 -2.307 1.00 0.00 C ATOM 242 CZ PHE A 15 2.586 16.269 -3.203 1.00 0.00 C ATOM 0 H PHE A 15 1.702 18.954 0.923 1.00 0.00 H new ATOM 0 HA PHE A 15 3.484 20.525 -0.760 1.00 0.00 H new ATOM 0 HB2 PHE A 15 0.491 19.910 -0.930 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.396 20.772 -2.159 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.443 19.516 -3.209 1.00 0.00 H new ATOM 0 HD2 PHE A 15 0.365 17.523 -1.019 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.086 17.386 -4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.005 15.405 -2.061 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.872 15.331 -3.655 1.00 0.00 H new ATOM 252 N ASP A 16 1.856 22.024 1.502 1.00 0.00 N ATOM 253 CA ASP A 16 1.672 23.335 2.191 1.00 0.00 C ATOM 254 C ASP A 16 0.276 23.952 1.907 1.00 0.00 C ATOM 255 O ASP A 16 -0.146 24.903 2.578 1.00 0.00 O ATOM 256 CB ASP A 16 2.840 24.326 1.835 1.00 0.00 C ATOM 257 CG ASP A 16 2.775 25.688 2.551 1.00 0.00 C ATOM 258 OD1 ASP A 16 3.104 25.750 3.750 1.00 0.00 O ATOM 259 OD2 ASP A 16 2.378 26.699 1.923 1.00 0.00 O ATOM 0 H ASP A 16 1.752 21.225 2.128 1.00 0.00 H new ATOM 0 HA ASP A 16 1.713 23.151 3.265 1.00 0.00 H new ATOM 0 HB2 ASP A 16 3.789 23.849 2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.836 24.497 0.759 1.00 0.00 H new ATOM 264 N ASP A 17 -0.469 23.363 0.955 1.00 0.00 N ATOM 265 CA ASP A 17 -1.745 23.915 0.462 1.00 0.00 C ATOM 266 C ASP A 17 -2.926 23.041 0.911 1.00 0.00 C ATOM 267 O ASP A 17 -2.914 21.819 0.728 1.00 0.00 O ATOM 268 CB ASP A 17 -1.693 24.033 -1.080 1.00 0.00 C ATOM 269 CG ASP A 17 -3.005 24.554 -1.701 1.00 0.00 C ATOM 270 OD1 ASP A 17 -3.496 25.628 -1.275 1.00 0.00 O ATOM 271 OD2 ASP A 17 -3.568 23.877 -2.585 1.00 0.00 O ATOM 0 H ASP A 17 -0.203 22.488 0.504 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.894 24.908 0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.878 24.701 -1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.463 23.056 -1.504 1.00 0.00 H new ATOM 276 N ASP A 18 -3.960 23.698 1.466 1.00 0.00 N ATOM 277 CA ASP A 18 -5.138 23.034 2.065 1.00 0.00 C ATOM 278 C ASP A 18 -6.245 22.702 1.038 1.00 0.00 C ATOM 279 O ASP A 18 -7.269 22.122 1.414 1.00 0.00 O ATOM 280 CB ASP A 18 -5.725 23.914 3.203 1.00 0.00 C ATOM 281 CG ASP A 18 -6.354 25.230 2.701 1.00 0.00 C ATOM 282 OD1 ASP A 18 -5.606 26.197 2.433 1.00 0.00 O ATOM 283 OD2 ASP A 18 -7.596 25.297 2.555 1.00 0.00 O ATOM 0 H ASP A 18 -4.004 24.716 1.513 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.785 22.083 2.465 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -6.481 23.342 3.741 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.934 24.147 3.916 1.00 0.00 H new ATOM 288 N SER A 19 -6.043 23.050 -0.252 1.00 0.00 N ATOM 289 CA SER A 19 -7.059 22.810 -1.308 1.00 0.00 C ATOM 290 C SER A 19 -7.122 21.318 -1.698 1.00 0.00 C ATOM 291 O SER A 19 -8.087 20.881 -2.332 1.00 0.00 O ATOM 292 CB SER A 19 -6.764 23.671 -2.559 1.00 0.00 C ATOM 293 OG SER A 19 -6.582 25.033 -2.210 1.00 0.00 O ATOM 0 H SER A 19 -5.190 23.496 -0.589 1.00 0.00 H new ATOM 0 HA SER A 19 -8.028 23.099 -0.901 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.870 23.298 -3.059 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.587 23.581 -3.268 1.00 0.00 H new ATOM 0 HG SER A 19 -5.649 25.182 -1.949 1.00 0.00 H new ATOM 299 N ILE A 20 -6.084 20.557 -1.308 1.00 0.00 N ATOM 300 CA ILE A 20 -5.963 19.130 -1.629 1.00 0.00 C ATOM 301 C ILE A 20 -7.086 18.320 -0.952 1.00 0.00 C ATOM 302 O ILE A 20 -7.171 18.257 0.276 1.00 0.00 O ATOM 303 CB ILE A 20 -4.558 18.569 -1.193 1.00 0.00 C ATOM 304 CG1 ILE A 20 -3.419 19.423 -1.841 1.00 0.00 C ATOM 305 CG2 ILE A 20 -4.411 17.060 -1.560 1.00 0.00 C ATOM 306 CD1 ILE A 20 -2.020 19.036 -1.418 1.00 0.00 C ATOM 0 H ILE A 20 -5.304 20.919 -0.759 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.057 19.025 -2.710 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.476 18.645 -0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -3.492 19.339 -2.925 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.583 20.471 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.430 16.703 -1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.186 16.485 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.514 16.936 -2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.297 19.681 -1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.922 19.149 -0.338 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.831 17.998 -1.693 1.00 0.00 H new ATOM 318 N VAL A 21 -7.954 17.732 -1.781 1.00 0.00 N ATOM 319 CA VAL A 21 -9.030 16.836 -1.350 1.00 0.00 C ATOM 320 C VAL A 21 -8.720 15.468 -1.953 1.00 0.00 C ATOM 321 O VAL A 21 -8.392 15.387 -3.146 1.00 0.00 O ATOM 322 CB VAL A 21 -10.444 17.325 -1.848 1.00 0.00 C ATOM 323 CG1 VAL A 21 -11.578 16.379 -1.372 1.00 0.00 C ATOM 324 CG2 VAL A 21 -10.716 18.782 -1.408 1.00 0.00 C ATOM 0 H VAL A 21 -7.927 17.869 -2.791 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.074 16.808 -0.261 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.432 17.298 -2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.537 16.749 -1.735 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.404 15.377 -1.764 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -11.591 16.346 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.698 19.093 -1.765 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.689 18.845 -0.320 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.953 19.437 -1.828 1.00 0.00 H new ATOM 334 N LEU A 22 -8.789 14.400 -1.146 1.00 0.00 N ATOM 335 CA LEU A 22 -8.458 13.053 -1.620 1.00 0.00 C ATOM 336 C LEU A 22 -9.706 12.260 -2.002 1.00 0.00 C ATOM 337 O LEU A 22 -10.742 12.319 -1.337 1.00 0.00 O ATOM 338 CB LEU A 22 -7.634 12.276 -0.572 1.00 0.00 C ATOM 339 CG LEU A 22 -6.232 12.873 -0.240 1.00 0.00 C ATOM 340 CD1 LEU A 22 -5.434 11.905 0.635 1.00 0.00 C ATOM 341 CD2 LEU A 22 -5.438 13.247 -1.519 1.00 0.00 C ATOM 0 H LEU A 22 -9.070 14.444 -0.166 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.851 13.177 -2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.213 12.220 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.499 11.254 -0.927 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.393 13.797 0.315 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.458 12.336 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.973 11.727 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.301 10.961 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.469 13.659 -1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.291 12.356 -2.129 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -5.996 13.990 -2.089 1.00 0.00 H new ATOM 353 N THR A 23 -9.551 11.528 -3.096 1.00 0.00 N ATOM 354 CA THR A 23 -10.473 10.522 -3.593 1.00 0.00 C ATOM 355 C THR A 23 -9.610 9.323 -4.020 1.00 0.00 C ATOM 356 O THR A 23 -8.368 9.373 -3.909 1.00 0.00 O ATOM 357 CB THR A 23 -11.329 11.046 -4.802 1.00 0.00 C ATOM 358 OG1 THR A 23 -10.470 11.541 -5.836 1.00 0.00 O ATOM 359 CG2 THR A 23 -12.328 12.143 -4.388 1.00 0.00 C ATOM 0 H THR A 23 -8.730 11.628 -3.693 1.00 0.00 H new ATOM 0 HA THR A 23 -11.189 10.251 -2.818 1.00 0.00 H new ATOM 0 HB THR A 23 -11.908 10.200 -5.172 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.578 11.711 -5.467 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.893 12.469 -5.261 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.014 11.747 -3.639 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.785 12.991 -3.970 1.00 0.00 H new ATOM 367 N ARG A 24 -10.254 8.250 -4.485 1.00 0.00 N ATOM 368 CA ARG A 24 -9.547 7.054 -4.969 1.00 0.00 C ATOM 369 C ARG A 24 -8.641 7.389 -6.170 1.00 0.00 C ATOM 370 O ARG A 24 -7.452 7.097 -6.156 1.00 0.00 O ATOM 371 CB ARG A 24 -10.560 5.949 -5.347 1.00 0.00 C ATOM 372 CG ARG A 24 -11.394 5.440 -4.158 1.00 0.00 C ATOM 373 CD ARG A 24 -12.459 4.414 -4.563 1.00 0.00 C ATOM 374 NE ARG A 24 -13.236 3.966 -3.396 1.00 0.00 N ATOM 375 CZ ARG A 24 -13.831 2.774 -3.273 1.00 0.00 C ATOM 376 NH1 ARG A 24 -13.807 1.891 -4.261 1.00 0.00 N ATOM 377 NH2 ARG A 24 -14.447 2.472 -2.152 1.00 0.00 N ATOM 0 H ARG A 24 -11.270 8.182 -4.538 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.911 6.688 -4.163 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.233 6.333 -6.114 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.021 5.110 -5.787 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.728 4.991 -3.421 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.880 6.287 -3.674 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.129 4.853 -5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.981 3.556 -5.036 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.328 4.618 -2.617 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.329 2.115 -5.134 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -14.266 0.987 -4.149 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.469 3.144 -1.385 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.903 1.566 -2.049 1.00 0.00 H new ATOM 391 N GLU A 25 -9.200 8.079 -7.167 1.00 0.00 N ATOM 392 CA GLU A 25 -8.527 8.296 -8.467 1.00 0.00 C ATOM 393 C GLU A 25 -7.640 9.559 -8.463 1.00 0.00 C ATOM 394 O GLU A 25 -7.093 9.926 -9.513 1.00 0.00 O ATOM 395 CB GLU A 25 -9.602 8.342 -9.590 1.00 0.00 C ATOM 396 CG GLU A 25 -10.750 9.345 -9.350 1.00 0.00 C ATOM 397 CD GLU A 25 -11.880 9.239 -10.389 1.00 0.00 C ATOM 398 OE1 GLU A 25 -12.579 8.198 -10.403 1.00 0.00 O ATOM 399 OE2 GLU A 25 -12.072 10.173 -11.195 1.00 0.00 O ATOM 0 H GLU A 25 -10.125 8.504 -7.105 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.849 7.464 -8.656 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.112 8.591 -10.531 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.028 7.345 -9.706 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -11.164 9.181 -8.355 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.347 10.358 -9.364 1.00 0.00 H new ATOM 406 N THR A 26 -7.510 10.223 -7.284 1.00 0.00 N ATOM 407 CA THR A 26 -6.521 11.305 -7.067 1.00 0.00 C ATOM 408 C THR A 26 -5.110 10.832 -7.471 1.00 0.00 C ATOM 409 O THR A 26 -4.674 9.769 -7.039 1.00 0.00 O ATOM 410 CB THR A 26 -6.531 11.775 -5.569 1.00 0.00 C ATOM 411 OG1 THR A 26 -7.806 12.352 -5.257 1.00 0.00 O ATOM 412 CG2 THR A 26 -5.421 12.799 -5.232 1.00 0.00 C ATOM 0 H THR A 26 -8.084 10.023 -6.465 1.00 0.00 H new ATOM 0 HA THR A 26 -6.798 12.152 -7.694 1.00 0.00 H new ATOM 0 HB THR A 26 -6.339 10.887 -4.967 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.678 13.140 -4.689 1.00 0.00 H new ATOM 0 HG21 THR A 26 -5.490 13.078 -4.180 1.00 0.00 H new ATOM 0 HG22 THR A 26 -4.445 12.355 -5.426 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.545 13.687 -5.852 1.00 0.00 H new ATOM 420 N SER A 27 -4.433 11.604 -8.332 1.00 0.00 N ATOM 421 CA SER A 27 -3.096 11.267 -8.842 1.00 0.00 C ATOM 422 C SER A 27 -2.235 12.536 -8.939 1.00 0.00 C ATOM 423 O SER A 27 -2.755 13.660 -8.960 1.00 0.00 O ATOM 424 CB SER A 27 -3.203 10.582 -10.230 1.00 0.00 C ATOM 425 OG SER A 27 -4.057 9.458 -10.189 1.00 0.00 O ATOM 0 H SER A 27 -4.799 12.484 -8.696 1.00 0.00 H new ATOM 0 HA SER A 27 -2.622 10.571 -8.150 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.577 11.298 -10.962 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.211 10.275 -10.562 1.00 0.00 H new ATOM 0 HG SER A 27 -4.964 9.744 -9.952 1.00 0.00 H new ATOM 431 N ALA A 28 -0.913 12.326 -9.009 1.00 0.00 N ATOM 432 CA ALA A 28 0.094 13.393 -9.135 1.00 0.00 C ATOM 433 C ALA A 28 -0.057 14.239 -10.415 1.00 0.00 C ATOM 434 O ALA A 28 0.423 15.372 -10.460 1.00 0.00 O ATOM 435 CB ALA A 28 1.480 12.754 -9.073 1.00 0.00 C ATOM 0 H ALA A 28 -0.504 11.392 -8.979 1.00 0.00 H new ATOM 0 HA ALA A 28 -0.053 14.090 -8.310 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.242 13.528 -9.165 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.600 12.237 -8.121 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.588 12.040 -9.889 1.00 0.00 H new ATOM 441 N ASN A 29 -0.725 13.673 -11.437 1.00 0.00 N ATOM 442 CA ASN A 29 -0.964 14.336 -12.740 1.00 0.00 C ATOM 443 C ASN A 29 -1.797 15.637 -12.542 1.00 0.00 C ATOM 444 O ASN A 29 -1.578 16.644 -13.219 1.00 0.00 O ATOM 445 CB ASN A 29 -1.708 13.331 -13.674 1.00 0.00 C ATOM 446 CG ASN A 29 -1.705 13.652 -15.189 1.00 0.00 C ATOM 447 OD1 ASN A 29 -1.683 12.730 -16.011 1.00 0.00 O ATOM 448 ND2 ASN A 29 -1.774 14.919 -15.594 1.00 0.00 N ATOM 0 H ASN A 29 -1.119 12.734 -11.385 1.00 0.00 H new ATOM 0 HA ASN A 29 -0.016 14.622 -13.195 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.264 12.345 -13.535 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.744 13.263 -13.343 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.809 15.135 -16.590 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.792 15.674 -14.908 1.00 0.00 H new ATOM 455 N ASP A 30 -2.728 15.597 -11.575 1.00 0.00 N ATOM 456 CA ASP A 30 -3.660 16.713 -11.283 1.00 0.00 C ATOM 457 C ASP A 30 -2.990 17.823 -10.435 1.00 0.00 C ATOM 458 O ASP A 30 -3.497 18.948 -10.376 1.00 0.00 O ATOM 459 CB ASP A 30 -4.910 16.141 -10.569 1.00 0.00 C ATOM 460 CG ASP A 30 -5.998 17.177 -10.224 1.00 0.00 C ATOM 461 OD1 ASP A 30 -6.674 17.660 -11.154 1.00 0.00 O ATOM 462 OD2 ASP A 30 -6.195 17.490 -9.027 1.00 0.00 O ATOM 0 H ASP A 30 -2.861 14.788 -10.968 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.954 17.182 -12.222 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.351 15.372 -11.203 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.591 15.652 -9.649 1.00 0.00 H new ATOM 467 N ILE A 31 -1.825 17.515 -9.827 1.00 0.00 N ATOM 468 CA ILE A 31 -1.097 18.449 -8.934 1.00 0.00 C ATOM 469 C ILE A 31 0.274 18.764 -9.574 1.00 0.00 C ATOM 470 O ILE A 31 1.154 17.904 -9.615 1.00 0.00 O ATOM 471 CB ILE A 31 -0.930 17.852 -7.475 1.00 0.00 C ATOM 472 CG1 ILE A 31 -2.340 17.558 -6.839 1.00 0.00 C ATOM 473 CG2 ILE A 31 -0.078 18.788 -6.563 1.00 0.00 C ATOM 474 CD1 ILE A 31 -2.328 17.038 -5.404 1.00 0.00 C ATOM 0 H ILE A 31 -1.361 16.614 -9.939 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.672 19.369 -8.824 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.388 16.910 -7.556 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.929 18.475 -6.868 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.855 16.829 -7.465 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.014 18.345 -5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.914 18.915 -6.997 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.566 19.760 -6.482 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.352 16.871 -5.069 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.774 16.100 -5.362 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.849 17.772 -4.755 1.00 0.00 H new ATOM 486 N ASP A 32 0.420 20.003 -10.089 1.00 0.00 N ATOM 487 CA ASP A 32 1.643 20.459 -10.793 1.00 0.00 C ATOM 488 C ASP A 32 2.858 20.476 -9.849 1.00 0.00 C ATOM 489 O ASP A 32 3.954 20.075 -10.234 1.00 0.00 O ATOM 490 CB ASP A 32 1.433 21.871 -11.411 1.00 0.00 C ATOM 491 CG ASP A 32 2.656 22.363 -12.222 1.00 0.00 C ATOM 492 OD1 ASP A 32 2.804 21.961 -13.398 1.00 0.00 O ATOM 493 OD2 ASP A 32 3.477 23.150 -11.694 1.00 0.00 O ATOM 0 H ASP A 32 -0.305 20.718 -10.030 1.00 0.00 H new ATOM 0 HA ASP A 32 1.841 19.749 -11.596 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.558 21.851 -12.060 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.222 22.583 -10.613 1.00 0.00 H new ATOM 498 N ALA A 33 2.625 20.914 -8.603 1.00 0.00 N ATOM 499 CA ALA A 33 3.672 21.034 -7.564 1.00 0.00 C ATOM 500 C ALA A 33 4.254 19.661 -7.138 1.00 0.00 C ATOM 501 O ALA A 33 5.278 19.608 -6.447 1.00 0.00 O ATOM 502 CB ALA A 33 3.098 21.776 -6.349 1.00 0.00 C ATOM 0 H ALA A 33 1.700 21.198 -8.280 1.00 0.00 H new ATOM 0 HA ALA A 33 4.500 21.600 -7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 33 3.867 21.866 -5.581 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.769 22.770 -6.652 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.250 21.219 -5.950 1.00 0.00 H new ATOM 508 N TRP A 34 3.577 18.563 -7.533 1.00 0.00 N ATOM 509 CA TRP A 34 4.002 17.190 -7.212 1.00 0.00 C ATOM 510 C TRP A 34 5.190 16.770 -8.125 1.00 0.00 C ATOM 511 O TRP A 34 5.065 16.781 -9.356 1.00 0.00 O ATOM 512 CB TRP A 34 2.786 16.226 -7.393 1.00 0.00 C ATOM 513 CG TRP A 34 2.852 14.930 -6.616 1.00 0.00 C ATOM 514 CD1 TRP A 34 3.912 14.083 -6.491 1.00 0.00 C ATOM 515 CD2 TRP A 34 1.776 14.314 -5.891 1.00 0.00 C ATOM 516 NE1 TRP A 34 3.568 13.016 -5.715 1.00 0.00 N ATOM 517 CE2 TRP A 34 2.273 13.130 -5.334 1.00 0.00 C ATOM 518 CE3 TRP A 34 0.448 14.664 -5.644 1.00 0.00 C ATOM 519 CZ2 TRP A 34 1.498 12.283 -4.558 1.00 0.00 C ATOM 520 CZ3 TRP A 34 -0.327 13.824 -4.876 1.00 0.00 C ATOM 521 CH2 TRP A 34 0.207 12.647 -4.337 1.00 0.00 C ATOM 0 H TRP A 34 2.720 18.606 -8.084 1.00 0.00 H new ATOM 0 HA TRP A 34 4.343 17.139 -6.178 1.00 0.00 H new ATOM 0 HB2 TRP A 34 1.879 16.757 -7.102 1.00 0.00 H new ATOM 0 HB3 TRP A 34 2.690 15.988 -8.452 1.00 0.00 H new ATOM 0 HD1 TRP A 34 4.882 14.235 -6.941 1.00 0.00 H new ATOM 0 HE1 TRP A 34 4.191 12.249 -5.460 1.00 0.00 H new ATOM 0 HE3 TRP A 34 0.036 15.577 -6.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 1.903 11.371 -4.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -1.360 14.076 -4.687 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -0.423 12.013 -3.731 1.00 0.00 H new ATOM 532 N ASP A 35 6.332 16.436 -7.504 1.00 0.00 N ATOM 533 CA ASP A 35 7.542 15.884 -8.169 1.00 0.00 C ATOM 534 C ASP A 35 7.859 14.492 -7.598 1.00 0.00 C ATOM 535 O ASP A 35 7.080 13.952 -6.809 1.00 0.00 O ATOM 536 CB ASP A 35 8.758 16.834 -7.962 1.00 0.00 C ATOM 537 CG ASP A 35 8.663 18.103 -8.810 1.00 0.00 C ATOM 538 OD1 ASP A 35 9.113 18.078 -9.980 1.00 0.00 O ATOM 539 OD2 ASP A 35 8.114 19.114 -8.333 1.00 0.00 O ATOM 0 H ASP A 35 6.451 16.542 -6.497 1.00 0.00 H new ATOM 0 HA ASP A 35 7.347 15.799 -9.238 1.00 0.00 H new ATOM 0 HB2 ASP A 35 8.825 17.109 -6.909 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.676 16.302 -8.211 1.00 0.00 H new ATOM 544 N SER A 36 9.021 13.927 -7.983 1.00 0.00 N ATOM 545 CA SER A 36 9.491 12.612 -7.519 1.00 0.00 C ATOM 546 C SER A 36 9.873 12.686 -6.040 1.00 0.00 C ATOM 547 O SER A 36 9.509 11.823 -5.241 1.00 0.00 O ATOM 548 CB SER A 36 10.730 12.165 -8.355 1.00 0.00 C ATOM 549 OG SER A 36 10.478 11.888 -9.791 1.00 0.00 O ATOM 0 H SER A 36 9.665 14.379 -8.633 1.00 0.00 H new ATOM 0 HA SER A 36 8.688 11.886 -7.647 1.00 0.00 H new ATOM 0 HB2 SER A 36 11.492 12.941 -8.283 1.00 0.00 H new ATOM 0 HB3 SER A 36 11.146 11.267 -7.899 1.00 0.00 H new ATOM 0 HG SER A 36 11.315 11.618 -10.224 1.00 0.00 H new ATOM 554 N LEU A 37 10.611 13.751 -5.701 1.00 0.00 N ATOM 555 CA LEU A 37 11.066 14.028 -4.332 1.00 0.00 C ATOM 556 C LEU A 37 9.852 14.327 -3.426 1.00 0.00 C ATOM 557 O LEU A 37 9.855 13.964 -2.251 1.00 0.00 O ATOM 558 CB LEU A 37 12.100 15.205 -4.366 1.00 0.00 C ATOM 559 CG LEU A 37 13.090 15.369 -3.153 1.00 0.00 C ATOM 560 CD1 LEU A 37 12.428 15.980 -1.901 1.00 0.00 C ATOM 561 CD2 LEU A 37 13.794 14.033 -2.820 1.00 0.00 C ATOM 0 H LEU A 37 10.912 14.453 -6.377 1.00 0.00 H new ATOM 0 HA LEU A 37 11.568 13.158 -3.910 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.699 15.095 -5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.541 16.135 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 37 13.846 16.086 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.166 16.065 -1.104 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.038 16.969 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.611 15.338 -1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.471 14.178 -1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.047 13.283 -2.559 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.361 13.694 -3.687 1.00 0.00 H new ATOM 573 N SER A 38 8.801 14.948 -4.005 1.00 0.00 N ATOM 574 CA SER A 38 7.535 15.231 -3.298 1.00 0.00 C ATOM 575 C SER A 38 6.787 13.922 -3.001 1.00 0.00 C ATOM 576 O SER A 38 6.222 13.748 -1.923 1.00 0.00 O ATOM 577 CB SER A 38 6.636 16.148 -4.143 1.00 0.00 C ATOM 578 OG SER A 38 7.314 17.321 -4.533 1.00 0.00 O ATOM 0 H SER A 38 8.807 15.266 -4.974 1.00 0.00 H new ATOM 0 HA SER A 38 7.776 15.733 -2.361 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.297 15.611 -5.029 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.746 16.414 -3.572 1.00 0.00 H new ATOM 0 HG SER A 38 6.677 17.951 -4.930 1.00 0.00 H new ATOM 584 N HIS A 39 6.797 13.012 -3.995 1.00 0.00 N ATOM 585 CA HIS A 39 6.161 11.688 -3.900 1.00 0.00 C ATOM 586 C HIS A 39 6.817 10.856 -2.789 1.00 0.00 C ATOM 587 O HIS A 39 6.137 10.175 -2.023 1.00 0.00 O ATOM 588 CB HIS A 39 6.245 10.952 -5.273 1.00 0.00 C ATOM 589 CG HIS A 39 5.235 9.844 -5.429 1.00 0.00 C ATOM 590 ND1 HIS A 39 3.904 10.072 -5.184 1.00 0.00 N ATOM 591 CD2 HIS A 39 5.391 8.557 -5.817 1.00 0.00 C ATOM 592 CE1 HIS A 39 3.289 8.934 -5.417 1.00 0.00 C ATOM 593 NE2 HIS A 39 4.145 7.981 -5.797 1.00 0.00 N ATOM 0 H HIS A 39 7.251 13.179 -4.893 1.00 0.00 H new ATOM 0 HA HIS A 39 5.109 11.820 -3.646 1.00 0.00 H new ATOM 0 HB2 HIS A 39 6.102 11.678 -6.074 1.00 0.00 H new ATOM 0 HB3 HIS A 39 7.246 10.538 -5.393 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.318 8.075 -6.090 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.224 8.787 -5.314 1.00 0.00 H new ATOM 0 HE2 HIS A 39 3.917 7.014 -6.027 1.00 0.00 H new ATOM 601 N MET A 40 8.141 10.974 -2.692 1.00 0.00 N ATOM 602 CA MET A 40 8.930 10.317 -1.650 1.00 0.00 C ATOM 603 C MET A 40 8.720 11.003 -0.288 1.00 0.00 C ATOM 604 O MET A 40 8.776 10.336 0.742 1.00 0.00 O ATOM 605 CB MET A 40 10.422 10.298 -2.045 1.00 0.00 C ATOM 606 CG MET A 40 10.731 9.424 -3.266 1.00 0.00 C ATOM 607 SD MET A 40 10.309 7.679 -3.011 1.00 0.00 S ATOM 608 CE MET A 40 11.400 7.206 -1.666 1.00 0.00 C ATOM 0 H MET A 40 8.700 11.531 -3.338 1.00 0.00 H new ATOM 0 HA MET A 40 8.590 9.286 -1.552 1.00 0.00 H new ATOM 0 HB2 MET A 40 10.746 11.318 -2.249 1.00 0.00 H new ATOM 0 HB3 MET A 40 11.007 9.941 -1.198 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.180 9.804 -4.127 1.00 0.00 H new ATOM 0 HG3 MET A 40 11.791 9.505 -3.505 1.00 0.00 H new ATOM 0 HE1 MET A 40 11.423 6.120 -1.581 1.00 0.00 H new ATOM 0 HE2 MET A 40 12.406 7.575 -1.866 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.035 7.636 -0.733 1.00 0.00 H new ATOM 618 N ASN A 41 8.457 12.339 -0.298 1.00 0.00 N ATOM 619 CA ASN A 41 8.096 13.100 0.928 1.00 0.00 C ATOM 620 C ASN A 41 6.777 12.568 1.512 1.00 0.00 C ATOM 621 O ASN A 41 6.616 12.519 2.731 1.00 0.00 O ATOM 622 CB ASN A 41 7.975 14.633 0.668 1.00 0.00 C ATOM 623 CG ASN A 41 9.309 15.352 0.492 1.00 0.00 C ATOM 624 OD1 ASN A 41 10.330 14.958 1.063 1.00 0.00 O ATOM 625 ND2 ASN A 41 9.309 16.419 -0.294 1.00 0.00 N ATOM 0 H ASN A 41 8.489 12.910 -1.143 1.00 0.00 H new ATOM 0 HA ASN A 41 8.906 12.953 1.642 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.371 14.791 -0.226 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.438 15.089 1.500 1.00 0.00 H new ATOM 0 HD21 ASN A 41 10.171 16.943 -0.443 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.447 16.716 -0.750 1.00 0.00 H new ATOM 632 N LEU A 42 5.855 12.157 0.619 1.00 0.00 N ATOM 633 CA LEU A 42 4.587 11.511 1.011 1.00 0.00 C ATOM 634 C LEU A 42 4.858 10.207 1.739 1.00 0.00 C ATOM 635 O LEU A 42 4.473 10.054 2.895 1.00 0.00 O ATOM 636 CB LEU A 42 3.660 11.265 -0.233 1.00 0.00 C ATOM 637 CG LEU A 42 2.608 12.366 -0.508 1.00 0.00 C ATOM 638 CD1 LEU A 42 1.598 12.438 0.644 1.00 0.00 C ATOM 639 CD2 LEU A 42 3.281 13.715 -0.722 1.00 0.00 C ATOM 0 H LEU A 42 5.967 12.263 -0.389 1.00 0.00 H new ATOM 0 HA LEU A 42 4.064 12.187 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.289 11.159 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.140 10.317 -0.095 1.00 0.00 H new ATOM 0 HG LEU A 42 2.071 12.109 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.864 13.217 0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.090 11.479 0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.121 12.670 1.572 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.522 14.474 -0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.847 13.985 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.956 13.653 -1.575 1.00 0.00 H new ATOM 651 N ILE A 43 5.577 9.309 1.059 1.00 0.00 N ATOM 652 CA ILE A 43 5.830 7.949 1.543 1.00 0.00 C ATOM 653 C ILE A 43 6.539 7.968 2.911 1.00 0.00 C ATOM 654 O ILE A 43 6.077 7.302 3.828 1.00 0.00 O ATOM 655 CB ILE A 43 6.609 7.095 0.453 1.00 0.00 C ATOM 656 CG1 ILE A 43 5.610 6.465 -0.586 1.00 0.00 C ATOM 657 CG2 ILE A 43 7.516 5.997 1.070 1.00 0.00 C ATOM 658 CD1 ILE A 43 4.751 7.445 -1.377 1.00 0.00 C ATOM 0 H ILE A 43 6.002 9.506 0.153 1.00 0.00 H new ATOM 0 HA ILE A 43 4.872 7.453 1.701 1.00 0.00 H new ATOM 0 HB ILE A 43 7.270 7.791 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.184 5.866 -1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.948 5.782 -0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.019 5.450 0.273 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.260 6.461 1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.907 5.307 1.654 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.104 6.893 -2.059 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.139 8.029 -0.690 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.395 8.114 -1.948 1.00 0.00 H new ATOM 670 N VAL A 44 7.591 8.807 3.070 1.00 0.00 N ATOM 671 CA VAL A 44 8.360 8.885 4.329 1.00 0.00 C ATOM 672 C VAL A 44 7.532 9.503 5.479 1.00 0.00 C ATOM 673 O VAL A 44 7.746 9.165 6.650 1.00 0.00 O ATOM 674 CB VAL A 44 9.716 9.653 4.151 1.00 0.00 C ATOM 675 CG1 VAL A 44 10.594 8.961 3.083 1.00 0.00 C ATOM 676 CG2 VAL A 44 9.509 11.154 3.831 1.00 0.00 C ATOM 0 H VAL A 44 7.924 9.438 2.341 1.00 0.00 H new ATOM 0 HA VAL A 44 8.596 7.856 4.602 1.00 0.00 H new ATOM 0 HB VAL A 44 10.240 9.614 5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 44 11.531 9.507 2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 44 10.805 7.938 3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 44 10.066 8.950 2.129 1.00 0.00 H new ATOM 0 HG21 VAL A 44 10.479 11.639 3.718 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.943 11.254 2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.960 11.627 4.645 1.00 0.00 H new ATOM 686 N SER A 45 6.586 10.398 5.131 1.00 0.00 N ATOM 687 CA SER A 45 5.585 10.911 6.086 1.00 0.00 C ATOM 688 C SER A 45 4.659 9.769 6.545 1.00 0.00 C ATOM 689 O SER A 45 4.353 9.647 7.724 1.00 0.00 O ATOM 690 CB SER A 45 4.759 12.058 5.465 1.00 0.00 C ATOM 691 OG SER A 45 5.571 13.186 5.190 1.00 0.00 O ATOM 0 H SER A 45 6.495 10.782 4.190 1.00 0.00 H new ATOM 0 HA SER A 45 6.113 11.310 6.952 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.288 11.713 4.545 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.957 12.342 6.146 1.00 0.00 H new ATOM 0 HG SER A 45 5.998 13.076 4.315 1.00 0.00 H new ATOM 697 N LEU A 46 4.272 8.896 5.606 1.00 0.00 N ATOM 698 CA LEU A 46 3.382 7.755 5.900 1.00 0.00 C ATOM 699 C LEU A 46 4.125 6.678 6.731 1.00 0.00 C ATOM 700 O LEU A 46 3.507 5.995 7.560 1.00 0.00 O ATOM 701 CB LEU A 46 2.815 7.152 4.584 1.00 0.00 C ATOM 702 CG LEU A 46 2.099 8.156 3.610 1.00 0.00 C ATOM 703 CD1 LEU A 46 1.466 7.426 2.410 1.00 0.00 C ATOM 704 CD2 LEU A 46 1.069 9.039 4.343 1.00 0.00 C ATOM 0 H LEU A 46 4.561 8.955 4.630 1.00 0.00 H new ATOM 0 HA LEU A 46 2.544 8.117 6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.634 6.677 4.044 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.107 6.365 4.845 1.00 0.00 H new ATOM 0 HG LEU A 46 2.868 8.823 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.980 8.152 1.758 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.242 6.900 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.728 6.709 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.599 9.717 3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.307 8.407 4.799 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.572 9.618 5.118 1.00 0.00 H new ATOM 716 N GLU A 47 5.461 6.577 6.516 1.00 0.00 N ATOM 717 CA GLU A 47 6.348 5.640 7.245 1.00 0.00 C ATOM 718 C GLU A 47 6.360 5.959 8.740 1.00 0.00 C ATOM 719 O GLU A 47 6.091 5.096 9.564 1.00 0.00 O ATOM 720 CB GLU A 47 7.814 5.700 6.712 1.00 0.00 C ATOM 721 CG GLU A 47 7.999 5.316 5.236 1.00 0.00 C ATOM 722 CD GLU A 47 7.677 3.854 4.924 1.00 0.00 C ATOM 723 OE1 GLU A 47 6.487 3.510 4.782 1.00 0.00 O ATOM 724 OE2 GLU A 47 8.622 3.037 4.820 1.00 0.00 O ATOM 0 H GLU A 47 5.954 7.147 5.828 1.00 0.00 H new ATOM 0 HA GLU A 47 5.951 4.638 7.080 1.00 0.00 H new ATOM 0 HB2 GLU A 47 8.193 6.712 6.856 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.431 5.039 7.321 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.363 5.955 4.623 1.00 0.00 H new ATOM 0 HG3 GLU A 47 9.030 5.519 4.946 1.00 0.00 H new ATOM 731 N VAL A 48 6.704 7.211 9.071 1.00 0.00 N ATOM 732 CA VAL A 48 6.839 7.660 10.464 1.00 0.00 C ATOM 733 C VAL A 48 5.472 7.756 11.185 1.00 0.00 C ATOM 734 O VAL A 48 5.351 7.342 12.347 1.00 0.00 O ATOM 735 CB VAL A 48 7.625 9.026 10.543 1.00 0.00 C ATOM 736 CG1 VAL A 48 9.080 8.852 10.047 1.00 0.00 C ATOM 737 CG2 VAL A 48 6.919 10.160 9.758 1.00 0.00 C ATOM 0 H VAL A 48 6.896 7.939 8.383 1.00 0.00 H new ATOM 0 HA VAL A 48 7.419 6.902 10.990 1.00 0.00 H new ATOM 0 HB VAL A 48 7.641 9.321 11.592 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.603 9.806 10.110 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.591 8.117 10.669 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.073 8.510 9.012 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.500 11.078 9.844 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.837 9.879 8.708 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.922 10.321 10.169 1.00 0.00 H new ATOM 747 N HIS A 49 4.449 8.279 10.476 1.00 0.00 N ATOM 748 CA HIS A 49 3.097 8.504 11.039 1.00 0.00 C ATOM 749 C HIS A 49 2.370 7.182 11.351 1.00 0.00 C ATOM 750 O HIS A 49 1.911 6.982 12.477 1.00 0.00 O ATOM 751 CB HIS A 49 2.241 9.392 10.083 1.00 0.00 C ATOM 752 CG HIS A 49 2.498 10.883 10.195 1.00 0.00 C ATOM 753 ND1 HIS A 49 3.543 11.644 9.804 1.00 0.00 N flip ATOM 754 CD2 HIS A 49 1.609 11.753 10.789 1.00 0.00 C flip ATOM 755 CE1 HIS A 49 3.261 12.937 10.155 1.00 0.00 C flip ATOM 756 NE2 HIS A 49 2.089 12.976 10.746 1.00 0.00 N flip ATOM 0 H HIS A 49 4.535 8.557 9.498 1.00 0.00 H new ATOM 0 HA HIS A 49 3.226 9.031 11.984 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.431 9.082 9.055 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.186 9.204 10.283 1.00 0.00 H new ATOM 0 HD2 HIS A 49 0.661 11.472 11.224 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.900 13.789 9.975 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.630 13.811 11.109 1.00 0.00 H new ATOM 765 N TYR A 50 2.276 6.290 10.353 1.00 0.00 N ATOM 766 CA TYR A 50 1.519 5.016 10.478 1.00 0.00 C ATOM 767 C TYR A 50 2.424 3.847 10.911 1.00 0.00 C ATOM 768 O TYR A 50 1.935 2.730 11.119 1.00 0.00 O ATOM 769 CB TYR A 50 0.803 4.697 9.142 1.00 0.00 C ATOM 770 CG TYR A 50 -0.192 5.784 8.692 1.00 0.00 C ATOM 771 CD1 TYR A 50 -1.467 5.876 9.262 1.00 0.00 C ATOM 772 CD2 TYR A 50 0.149 6.722 7.715 1.00 0.00 C ATOM 773 CE1 TYR A 50 -2.358 6.860 8.869 1.00 0.00 C ATOM 774 CE2 TYR A 50 -0.741 7.702 7.322 1.00 0.00 C ATOM 775 CZ TYR A 50 -1.989 7.769 7.900 1.00 0.00 C ATOM 776 OH TYR A 50 -2.873 8.748 7.509 1.00 0.00 O ATOM 0 H TYR A 50 2.715 6.421 9.442 1.00 0.00 H new ATOM 0 HA TYR A 50 0.772 5.143 11.262 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.553 4.560 8.363 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.271 3.751 9.243 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.761 5.167 10.022 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.127 6.680 7.258 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.338 6.915 9.319 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -0.458 8.415 6.562 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.393 9.441 7.009 1.00 0.00 H new ATOM 786 N LYS A 51 3.747 4.128 11.047 1.00 0.00 N ATOM 787 CA LYS A 51 4.791 3.148 11.457 1.00 0.00 C ATOM 788 C LYS A 51 4.921 2.000 10.427 1.00 0.00 C ATOM 789 O LYS A 51 5.448 0.931 10.749 1.00 0.00 O ATOM 790 CB LYS A 51 4.571 2.594 12.911 1.00 0.00 C ATOM 791 CG LYS A 51 4.804 3.608 14.068 1.00 0.00 C ATOM 792 CD LYS A 51 3.747 4.734 14.129 1.00 0.00 C ATOM 793 CE LYS A 51 3.972 5.711 15.293 1.00 0.00 C ATOM 794 NZ LYS A 51 5.288 6.396 15.207 1.00 0.00 N ATOM 0 H LYS A 51 4.126 5.059 10.872 1.00 0.00 H new ATOM 0 HA LYS A 51 5.735 3.692 11.476 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.551 2.217 12.985 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.237 1.744 13.059 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.804 3.070 15.016 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.792 4.055 13.955 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.761 5.288 13.190 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.756 4.289 14.222 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.177 6.456 15.298 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.908 5.169 16.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.321 7.173 15.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.047 5.716 15.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.418 6.779 14.249 1.00 0.00 H new ATOM 808 N ILE A 52 4.530 2.271 9.163 1.00 0.00 N ATOM 809 CA ILE A 52 4.410 1.240 8.107 1.00 0.00 C ATOM 810 C ILE A 52 5.679 1.233 7.237 1.00 0.00 C ATOM 811 O ILE A 52 6.632 1.964 7.527 1.00 0.00 O ATOM 812 CB ILE A 52 3.116 1.472 7.232 1.00 0.00 C ATOM 813 CG1 ILE A 52 3.145 2.873 6.533 1.00 0.00 C ATOM 814 CG2 ILE A 52 1.840 1.294 8.089 1.00 0.00 C ATOM 815 CD1 ILE A 52 1.916 3.188 5.690 1.00 0.00 C ATOM 0 H ILE A 52 4.289 3.210 8.845 1.00 0.00 H new ATOM 0 HA ILE A 52 4.309 0.263 8.580 1.00 0.00 H new ATOM 0 HB ILE A 52 3.100 0.719 6.444 1.00 0.00 H new ATOM 0 HG12 ILE A 52 3.252 3.643 7.297 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.029 2.929 5.898 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.959 1.458 7.468 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.814 0.284 8.497 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.847 2.015 8.906 1.00 0.00 H new ATOM 0 HD11 ILE A 52 2.024 4.177 5.245 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.816 2.444 4.900 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.027 3.169 6.321 1.00 0.00 H new ATOM 827 N LYS A 53 5.694 0.392 6.185 1.00 0.00 N ATOM 828 CA LYS A 53 6.890 0.163 5.346 1.00 0.00 C ATOM 829 C LYS A 53 6.491 0.097 3.860 1.00 0.00 C ATOM 830 O LYS A 53 5.784 -0.818 3.459 1.00 0.00 O ATOM 831 CB LYS A 53 7.619 -1.141 5.821 1.00 0.00 C ATOM 832 CG LYS A 53 8.801 -1.659 4.930 1.00 0.00 C ATOM 833 CD LYS A 53 8.365 -2.681 3.848 1.00 0.00 C ATOM 834 CE LYS A 53 9.503 -3.115 2.914 1.00 0.00 C ATOM 835 NZ LYS A 53 9.016 -4.043 1.860 1.00 0.00 N ATOM 0 H LYS A 53 4.880 -0.148 5.892 1.00 0.00 H new ATOM 0 HA LYS A 53 7.586 0.994 5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.003 -0.968 6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.877 -1.936 5.896 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.277 -0.808 4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 53 9.552 -2.120 5.571 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.954 -3.563 4.339 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.564 -2.245 3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.949 -2.236 2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.287 -3.601 3.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.794 -4.264 1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.675 -4.921 2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.239 -3.594 1.335 1.00 0.00 H new ATOM 849 N PHE A 54 6.919 1.092 3.067 1.00 0.00 N ATOM 850 CA PHE A 54 6.915 1.024 1.593 1.00 0.00 C ATOM 851 C PHE A 54 8.346 0.742 1.122 1.00 0.00 C ATOM 852 O PHE A 54 9.305 1.329 1.636 1.00 0.00 O ATOM 853 CB PHE A 54 6.420 2.341 0.930 1.00 0.00 C ATOM 854 CG PHE A 54 4.968 2.718 1.221 1.00 0.00 C ATOM 855 CD1 PHE A 54 3.924 2.169 0.474 1.00 0.00 C ATOM 856 CD2 PHE A 54 4.644 3.635 2.219 1.00 0.00 C ATOM 857 CE1 PHE A 54 2.615 2.525 0.725 1.00 0.00 C ATOM 858 CE2 PHE A 54 3.335 3.988 2.464 1.00 0.00 C ATOM 859 CZ PHE A 54 2.319 3.431 1.716 1.00 0.00 C ATOM 0 H PHE A 54 7.281 1.974 3.431 1.00 0.00 H new ATOM 0 HA PHE A 54 6.226 0.233 1.297 1.00 0.00 H new ATOM 0 HB2 PHE A 54 7.062 3.157 1.260 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.545 2.253 -0.149 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.144 1.458 -0.309 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.432 4.076 2.810 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.818 2.090 0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.104 4.701 3.242 1.00 0.00 H new ATOM 0 HZ PHE A 54 1.292 3.706 1.908 1.00 0.00 H new ATOM 869 N ALA A 55 8.471 -0.173 0.161 1.00 0.00 N ATOM 870 CA ALA A 55 9.715 -0.412 -0.590 1.00 0.00 C ATOM 871 C ALA A 55 9.565 0.206 -1.983 1.00 0.00 C ATOM 872 O ALA A 55 8.454 0.582 -2.357 1.00 0.00 O ATOM 873 CB ALA A 55 9.994 -1.911 -0.685 1.00 0.00 C ATOM 0 H ALA A 55 7.703 -0.780 -0.126 1.00 0.00 H new ATOM 0 HA ALA A 55 10.559 0.049 -0.077 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.916 -2.075 -1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.097 -2.326 0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.168 -2.403 -1.198 1.00 0.00 H new ATOM 879 N LEU A 56 10.666 0.296 -2.753 1.00 0.00 N ATOM 880 CA LEU A 56 10.653 0.868 -4.127 1.00 0.00 C ATOM 881 C LEU A 56 9.703 0.055 -5.044 1.00 0.00 C ATOM 882 O LEU A 56 9.023 0.631 -5.892 1.00 0.00 O ATOM 883 CB LEU A 56 12.116 0.930 -4.698 1.00 0.00 C ATOM 884 CG LEU A 56 12.398 1.852 -5.954 1.00 0.00 C ATOM 885 CD1 LEU A 56 11.909 1.232 -7.285 1.00 0.00 C ATOM 886 CD2 LEU A 56 11.824 3.271 -5.746 1.00 0.00 C ATOM 0 H LEU A 56 11.587 -0.021 -2.450 1.00 0.00 H new ATOM 0 HA LEU A 56 10.270 1.888 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.773 1.258 -3.892 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.413 -0.086 -4.959 1.00 0.00 H new ATOM 0 HG LEU A 56 13.482 1.933 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 56 12.132 1.913 -8.107 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.417 0.282 -7.452 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.833 1.064 -7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.033 3.881 -6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.746 3.209 -5.596 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.287 3.726 -4.870 1.00 0.00 H new ATOM 898 N GLY A 57 9.648 -1.273 -4.835 1.00 0.00 N ATOM 899 CA GLY A 57 8.705 -2.144 -5.555 1.00 0.00 C ATOM 900 C GLY A 57 7.247 -1.797 -5.245 1.00 0.00 C ATOM 901 O GLY A 57 6.377 -1.840 -6.129 1.00 0.00 O ATOM 0 H GLY A 57 10.247 -1.766 -4.172 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.878 -2.056 -6.628 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.895 -3.183 -5.286 1.00 0.00 H new ATOM 905 N GLU A 58 7.004 -1.415 -3.975 1.00 0.00 N ATOM 906 CA GLU A 58 5.677 -0.986 -3.489 1.00 0.00 C ATOM 907 C GLU A 58 5.364 0.446 -3.948 1.00 0.00 C ATOM 908 O GLU A 58 4.203 0.808 -4.066 1.00 0.00 O ATOM 909 CB GLU A 58 5.589 -1.116 -1.948 1.00 0.00 C ATOM 910 CG GLU A 58 5.921 -2.533 -1.450 1.00 0.00 C ATOM 911 CD GLU A 58 5.677 -2.715 0.049 1.00 0.00 C ATOM 912 OE1 GLU A 58 4.535 -3.049 0.429 1.00 0.00 O ATOM 913 OE2 GLU A 58 6.616 -2.508 0.850 1.00 0.00 O ATOM 0 H GLU A 58 7.726 -1.395 -3.255 1.00 0.00 H new ATOM 0 HA GLU A 58 4.924 -1.644 -3.922 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.274 -0.404 -1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.584 -0.847 -1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.318 -3.256 -2.000 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.965 -2.754 -1.672 1.00 0.00 H new ATOM 920 N LEU A 59 6.419 1.232 -4.225 1.00 0.00 N ATOM 921 CA LEU A 59 6.310 2.576 -4.837 1.00 0.00 C ATOM 922 C LEU A 59 5.804 2.434 -6.281 1.00 0.00 C ATOM 923 O LEU A 59 4.955 3.204 -6.722 1.00 0.00 O ATOM 924 CB LEU A 59 7.695 3.323 -4.790 1.00 0.00 C ATOM 925 CG LEU A 59 7.992 4.243 -3.547 1.00 0.00 C ATOM 926 CD1 LEU A 59 7.396 5.643 -3.738 1.00 0.00 C ATOM 927 CD2 LEU A 59 7.480 3.623 -2.232 1.00 0.00 C ATOM 0 H LEU A 59 7.381 0.954 -4.030 1.00 0.00 H new ATOM 0 HA LEU A 59 5.598 3.176 -4.270 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.483 2.572 -4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.775 3.937 -5.687 1.00 0.00 H new ATOM 0 HG LEU A 59 9.076 4.331 -3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.617 6.255 -2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.830 6.106 -4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.316 5.565 -3.862 1.00 0.00 H new ATOM 0 HD21 LEU A 59 7.707 4.292 -1.402 1.00 0.00 H new ATOM 0 HD22 LEU A 59 6.402 3.475 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.969 2.663 -2.068 1.00 0.00 H new ATOM 939 N GLN A 60 6.300 1.404 -6.993 1.00 0.00 N ATOM 940 CA GLN A 60 5.860 1.090 -8.369 1.00 0.00 C ATOM 941 C GLN A 60 4.403 0.562 -8.390 1.00 0.00 C ATOM 942 O GLN A 60 3.737 0.612 -9.426 1.00 0.00 O ATOM 943 CB GLN A 60 6.844 0.083 -9.025 1.00 0.00 C ATOM 944 CG GLN A 60 8.329 0.535 -9.050 1.00 0.00 C ATOM 945 CD GLN A 60 8.640 1.767 -9.922 1.00 0.00 C ATOM 946 OE1 GLN A 60 7.808 2.648 -10.138 1.00 0.00 O ATOM 947 NE2 GLN A 60 9.871 1.857 -10.410 1.00 0.00 N ATOM 0 H GLN A 60 7.013 0.769 -6.635 1.00 0.00 H new ATOM 0 HA GLN A 60 5.871 2.009 -8.955 1.00 0.00 H new ATOM 0 HB2 GLN A 60 6.778 -0.865 -8.492 1.00 0.00 H new ATOM 0 HB3 GLN A 60 6.520 -0.104 -10.049 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.641 0.749 -8.028 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.937 -0.298 -9.402 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.549 1.119 -10.222 1.00 0.00 H new ATOM 0 HE22 GLN A 60 10.139 2.664 -10.973 1.00 0.00 H new ATOM 956 N LYS A 61 3.923 0.078 -7.231 1.00 0.00 N ATOM 957 CA LYS A 61 2.511 -0.307 -7.024 1.00 0.00 C ATOM 958 C LYS A 61 1.615 0.940 -6.853 1.00 0.00 C ATOM 959 O LYS A 61 0.413 0.872 -7.106 1.00 0.00 O ATOM 960 CB LYS A 61 2.385 -1.228 -5.777 1.00 0.00 C ATOM 961 CG LYS A 61 3.066 -2.611 -5.921 1.00 0.00 C ATOM 962 CD LYS A 61 2.329 -3.544 -6.912 1.00 0.00 C ATOM 963 CE LYS A 61 0.900 -3.882 -6.449 1.00 0.00 C ATOM 964 NZ LYS A 61 0.227 -4.837 -7.359 1.00 0.00 N ATOM 0 H LYS A 61 4.505 -0.059 -6.405 1.00 0.00 H new ATOM 0 HA LYS A 61 2.175 -0.850 -7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.816 -0.714 -4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.328 -1.380 -5.560 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.094 -2.471 -6.257 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.113 -3.091 -4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.287 -3.068 -7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.898 -4.467 -7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.936 -4.304 -5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.313 -2.965 -6.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.732 -5.035 -7.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.168 -4.425 -8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.771 -5.722 -7.397 1.00 0.00 H new ATOM 978 N LEU A 62 2.214 2.071 -6.425 1.00 0.00 N ATOM 979 CA LEU A 62 1.481 3.329 -6.175 1.00 0.00 C ATOM 980 C LEU A 62 1.326 4.107 -7.491 1.00 0.00 C ATOM 981 O LEU A 62 2.163 4.943 -7.830 1.00 0.00 O ATOM 982 CB LEU A 62 2.221 4.182 -5.101 1.00 0.00 C ATOM 983 CG LEU A 62 2.544 3.444 -3.771 1.00 0.00 C ATOM 984 CD1 LEU A 62 3.386 4.322 -2.833 1.00 0.00 C ATOM 985 CD2 LEU A 62 1.263 2.927 -3.081 1.00 0.00 C ATOM 0 H LEU A 62 3.216 2.138 -6.244 1.00 0.00 H new ATOM 0 HA LEU A 62 0.487 3.098 -5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.154 4.547 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.612 5.057 -4.873 1.00 0.00 H new ATOM 0 HG LEU A 62 3.145 2.570 -4.019 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.594 3.776 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.325 4.580 -3.322 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.837 5.234 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.529 2.417 -2.155 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.606 3.767 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.748 2.231 -3.744 1.00 0.00 H new ATOM 997 N LYS A 63 0.288 3.751 -8.258 1.00 0.00 N ATOM 998 CA LYS A 63 -0.056 4.400 -9.547 1.00 0.00 C ATOM 999 C LYS A 63 -0.989 5.600 -9.282 1.00 0.00 C ATOM 1000 O LYS A 63 -1.026 6.556 -10.068 1.00 0.00 O ATOM 1001 CB LYS A 63 -0.690 3.317 -10.488 1.00 0.00 C ATOM 1002 CG LYS A 63 -0.858 3.702 -11.990 1.00 0.00 C ATOM 1003 CD LYS A 63 -2.178 4.442 -12.318 1.00 0.00 C ATOM 1004 CE LYS A 63 -3.429 3.581 -12.061 1.00 0.00 C ATOM 1005 NZ LYS A 63 -4.678 4.295 -12.419 1.00 0.00 N ATOM 0 H LYS A 63 -0.350 2.996 -8.005 1.00 0.00 H new ATOM 0 HA LYS A 63 0.827 4.798 -10.048 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.075 2.418 -10.434 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.672 3.056 -10.092 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.019 4.332 -12.287 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.805 2.795 -12.593 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.238 5.350 -11.717 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.165 4.752 -13.363 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.360 2.659 -12.639 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.463 3.296 -11.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.495 3.680 -12.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.758 5.162 -11.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.658 4.545 -13.428 1.00 0.00 H new ATOM 1019 N ASN A 64 -1.722 5.542 -8.152 1.00 0.00 N ATOM 1020 CA ASN A 64 -2.542 6.666 -7.655 1.00 0.00 C ATOM 1021 C ASN A 64 -2.712 6.586 -6.125 1.00 0.00 C ATOM 1022 O ASN A 64 -2.226 5.649 -5.487 1.00 0.00 O ATOM 1023 CB ASN A 64 -3.916 6.748 -8.397 1.00 0.00 C ATOM 1024 CG ASN A 64 -4.930 5.633 -8.099 1.00 0.00 C ATOM 1025 OD1 ASN A 64 -6.125 5.861 -8.158 1.00 0.00 O ATOM 1026 ND2 ASN A 64 -4.486 4.429 -7.813 1.00 0.00 N ATOM 0 H ASN A 64 -1.762 4.714 -7.558 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.013 7.593 -7.876 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.379 7.703 -8.151 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.723 6.755 -9.470 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.145 3.671 -7.637 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.482 4.253 -7.767 1.00 0.00 H new ATOM 1033 N VAL A 65 -3.381 7.601 -5.553 1.00 0.00 N ATOM 1034 CA VAL A 65 -3.656 7.706 -4.097 1.00 0.00 C ATOM 1035 C VAL A 65 -4.686 6.642 -3.632 1.00 0.00 C ATOM 1036 O VAL A 65 -4.807 6.355 -2.440 1.00 0.00 O ATOM 1037 CB VAL A 65 -4.112 9.172 -3.729 1.00 0.00 C ATOM 1038 CG1 VAL A 65 -4.399 9.348 -2.216 1.00 0.00 C ATOM 1039 CG2 VAL A 65 -3.049 10.197 -4.214 1.00 0.00 C ATOM 0 H VAL A 65 -3.754 8.385 -6.089 1.00 0.00 H new ATOM 0 HA VAL A 65 -2.732 7.498 -3.558 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.054 9.358 -4.245 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.708 10.375 -2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.194 8.666 -1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.496 9.127 -1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.372 11.206 -3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.094 9.987 -3.732 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -2.934 10.118 -5.295 1.00 0.00 H new ATOM 1049 N GLY A 66 -5.395 6.037 -4.600 1.00 0.00 N ATOM 1050 CA GLY A 66 -6.223 4.853 -4.346 1.00 0.00 C ATOM 1051 C GLY A 66 -5.382 3.636 -3.999 1.00 0.00 C ATOM 1052 O GLY A 66 -5.842 2.728 -3.296 1.00 0.00 O ATOM 0 H GLY A 66 -5.409 6.353 -5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.914 5.062 -3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.827 4.637 -5.227 1.00 0.00 H new ATOM 1056 N ASP A 67 -4.135 3.612 -4.506 1.00 0.00 N ATOM 1057 CA ASP A 67 -3.147 2.584 -4.138 1.00 0.00 C ATOM 1058 C ASP A 67 -2.534 2.894 -2.774 1.00 0.00 C ATOM 1059 O ASP A 67 -2.142 1.981 -2.081 1.00 0.00 O ATOM 1060 CB ASP A 67 -2.039 2.440 -5.198 1.00 0.00 C ATOM 1061 CG ASP A 67 -2.568 1.958 -6.551 1.00 0.00 C ATOM 1062 OD1 ASP A 67 -3.219 0.898 -6.608 1.00 0.00 O ATOM 1063 OD2 ASP A 67 -2.314 2.614 -7.574 1.00 0.00 O ATOM 0 H ASP A 67 -3.788 4.298 -5.176 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.677 1.633 -4.085 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.542 3.401 -5.329 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.287 1.739 -4.837 1.00 0.00 H new ATOM 1068 N LEU A 68 -2.418 4.183 -2.393 1.00 0.00 N ATOM 1069 CA LEU A 68 -2.066 4.550 -0.999 1.00 0.00 C ATOM 1070 C LEU A 68 -3.208 4.137 -0.055 1.00 0.00 C ATOM 1071 O LEU A 68 -2.959 3.687 1.053 1.00 0.00 O ATOM 1072 CB LEU A 68 -1.736 6.072 -0.829 1.00 0.00 C ATOM 1073 CG LEU A 68 -0.318 6.550 -1.295 1.00 0.00 C ATOM 1074 CD1 LEU A 68 0.795 5.678 -0.687 1.00 0.00 C ATOM 1075 CD2 LEU A 68 -0.207 6.631 -2.837 1.00 0.00 C ATOM 0 H LEU A 68 -2.560 4.978 -3.017 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.155 4.010 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.484 6.644 -1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.850 6.328 0.224 1.00 0.00 H new ATOM 0 HG LEU A 68 -0.182 7.564 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.766 6.036 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.750 5.737 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.658 4.643 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.793 6.967 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.391 5.647 -3.267 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.945 7.337 -3.218 1.00 0.00 H new ATOM 1087 N ALA A 69 -4.458 4.249 -0.533 1.00 0.00 N ATOM 1088 CA ALA A 69 -5.640 3.803 0.220 1.00 0.00 C ATOM 1089 C ALA A 69 -5.562 2.288 0.467 1.00 0.00 C ATOM 1090 O ALA A 69 -5.803 1.828 1.585 1.00 0.00 O ATOM 1091 CB ALA A 69 -6.928 4.166 -0.528 1.00 0.00 C ATOM 0 H ALA A 69 -4.676 4.648 -1.446 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.656 4.314 1.183 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.790 3.827 0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.981 5.247 -0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.930 3.682 -1.505 1.00 0.00 H new ATOM 1097 N ASP A 70 -5.169 1.547 -0.598 1.00 0.00 N ATOM 1098 CA ASP A 70 -4.981 0.086 -0.557 1.00 0.00 C ATOM 1099 C ASP A 70 -3.858 -0.287 0.417 1.00 0.00 C ATOM 1100 O ASP A 70 -4.117 -0.895 1.447 1.00 0.00 O ATOM 1101 CB ASP A 70 -4.668 -0.458 -1.988 1.00 0.00 C ATOM 1102 CG ASP A 70 -4.377 -1.979 -2.035 1.00 0.00 C ATOM 1103 OD1 ASP A 70 -5.336 -2.777 -2.007 1.00 0.00 O ATOM 1104 OD2 ASP A 70 -3.186 -2.383 -2.105 1.00 0.00 O ATOM 0 H ASP A 70 -4.974 1.954 -1.513 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.905 -0.373 -0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.513 -0.240 -2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.808 0.078 -2.389 1.00 0.00 H new ATOM 1109 N LEU A 71 -2.628 0.177 0.116 1.00 0.00 N ATOM 1110 CA LEU A 71 -1.405 -0.241 0.828 1.00 0.00 C ATOM 1111 C LEU A 71 -1.477 0.125 2.316 1.00 0.00 C ATOM 1112 O LEU A 71 -1.332 -0.758 3.154 1.00 0.00 O ATOM 1113 CB LEU A 71 -0.103 0.348 0.188 1.00 0.00 C ATOM 1114 CG LEU A 71 0.586 -0.478 -0.956 1.00 0.00 C ATOM 1115 CD1 LEU A 71 0.874 -1.936 -0.520 1.00 0.00 C ATOM 1116 CD2 LEU A 71 -0.212 -0.417 -2.267 1.00 0.00 C ATOM 0 H LEU A 71 -2.456 0.853 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.352 -1.326 0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.341 1.335 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.627 0.491 0.985 1.00 0.00 H new ATOM 0 HG LEU A 71 1.550 -0.009 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.351 -2.473 -1.340 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.536 -1.933 0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.062 -2.429 -0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.299 -1.001 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.210 -0.825 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.293 0.619 -2.596 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.740 1.417 2.626 1.00 0.00 N ATOM 1129 CA VAL A 72 -1.803 1.904 4.020 1.00 0.00 C ATOM 1130 C VAL A 72 -2.867 1.109 4.824 1.00 0.00 C ATOM 1131 O VAL A 72 -2.607 0.731 5.958 1.00 0.00 O ATOM 1132 CB VAL A 72 -2.067 3.465 4.107 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -2.144 3.958 5.576 1.00 0.00 C ATOM 1134 CG2 VAL A 72 -0.992 4.276 3.318 1.00 0.00 C ATOM 0 H VAL A 72 -1.912 2.139 1.927 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.824 1.731 4.468 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.037 3.642 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.326 5.033 5.590 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.957 3.445 6.090 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.203 3.743 6.082 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.207 5.341 3.401 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.005 4.071 3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.013 3.982 2.268 1.00 0.00 H new ATOM 1144 N ASP A 73 -4.019 0.782 4.186 1.00 0.00 N ATOM 1145 CA ASP A 73 -5.092 -0.041 4.816 1.00 0.00 C ATOM 1146 C ASP A 73 -4.589 -1.456 5.165 1.00 0.00 C ATOM 1147 O ASP A 73 -4.820 -1.955 6.273 1.00 0.00 O ATOM 1148 CB ASP A 73 -6.311 -0.154 3.868 1.00 0.00 C ATOM 1149 CG ASP A 73 -7.487 -0.959 4.454 1.00 0.00 C ATOM 1150 OD1 ASP A 73 -8.307 -0.376 5.202 1.00 0.00 O ATOM 1151 OD2 ASP A 73 -7.593 -2.179 4.188 1.00 0.00 O ATOM 0 H ASP A 73 -4.233 1.075 3.233 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.387 0.460 5.738 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -6.659 0.849 3.619 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.992 -0.622 2.937 1.00 0.00 H new ATOM 1156 N LYS A 74 -3.905 -2.072 4.190 1.00 0.00 N ATOM 1157 CA LYS A 74 -3.402 -3.459 4.305 1.00 0.00 C ATOM 1158 C LYS A 74 -2.332 -3.559 5.398 1.00 0.00 C ATOM 1159 O LYS A 74 -2.258 -4.553 6.112 1.00 0.00 O ATOM 1160 CB LYS A 74 -2.848 -3.995 2.956 1.00 0.00 C ATOM 1161 CG LYS A 74 -3.855 -3.950 1.779 1.00 0.00 C ATOM 1162 CD LYS A 74 -5.232 -4.570 2.121 1.00 0.00 C ATOM 1163 CE LYS A 74 -6.262 -4.401 0.990 1.00 0.00 C ATOM 1164 NZ LYS A 74 -7.592 -4.927 1.380 1.00 0.00 N ATOM 0 H LYS A 74 -3.682 -1.628 3.299 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.251 -4.085 4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.966 -3.414 2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.520 -5.025 3.097 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.998 -2.914 1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.429 -4.479 0.926 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.104 -5.631 2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.618 -4.107 3.029 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.349 -3.346 0.731 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.912 -4.920 0.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.261 -4.797 0.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -7.513 -5.940 1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.936 -4.414 2.217 1.00 0.00 H new ATOM 1178 N LYS A 75 -1.541 -2.494 5.536 1.00 0.00 N ATOM 1179 CA LYS A 75 -0.444 -2.414 6.505 1.00 0.00 C ATOM 1180 C LYS A 75 -0.974 -2.151 7.925 1.00 0.00 C ATOM 1181 O LYS A 75 -0.460 -2.721 8.900 1.00 0.00 O ATOM 1182 CB LYS A 75 0.527 -1.306 6.051 1.00 0.00 C ATOM 1183 CG LYS A 75 1.188 -1.609 4.693 1.00 0.00 C ATOM 1184 CD LYS A 75 2.029 -0.443 4.132 1.00 0.00 C ATOM 1185 CE LYS A 75 2.689 -0.810 2.793 1.00 0.00 C ATOM 1186 NZ LYS A 75 3.499 -2.051 2.912 1.00 0.00 N ATOM 0 H LYS A 75 -1.645 -1.651 4.971 1.00 0.00 H new ATOM 0 HA LYS A 75 0.084 -3.367 6.542 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.013 -0.361 5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.302 -1.177 6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.826 -2.486 4.799 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.412 -1.864 3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.393 0.432 3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.798 -0.169 4.854 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.921 -0.946 2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.324 0.011 2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.848 -2.329 1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.306 -1.879 3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.910 -2.814 3.302 1.00 0.00 H new ATOM 1200 N LEU A 76 -2.014 -1.303 8.022 1.00 0.00 N ATOM 1201 CA LEU A 76 -2.698 -1.007 9.301 1.00 0.00 C ATOM 1202 C LEU A 76 -3.530 -2.217 9.765 1.00 0.00 C ATOM 1203 O LEU A 76 -3.827 -2.351 10.959 1.00 0.00 O ATOM 1204 CB LEU A 76 -3.585 0.259 9.185 1.00 0.00 C ATOM 1205 CG LEU A 76 -2.828 1.598 8.910 1.00 0.00 C ATOM 1206 CD1 LEU A 76 -3.805 2.790 8.821 1.00 0.00 C ATOM 1207 CD2 LEU A 76 -1.705 1.846 9.947 1.00 0.00 C ATOM 0 H LEU A 76 -2.405 -0.804 7.223 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.933 -0.808 10.051 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.307 0.101 8.384 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.152 0.368 10.109 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.344 1.505 7.938 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.245 3.706 8.629 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.513 2.620 8.010 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.347 2.887 9.761 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.203 2.787 9.721 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.137 1.896 10.946 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.984 1.030 9.904 1.00 0.00 H new ATOM 1219 N ALA A 77 -3.907 -3.073 8.797 1.00 0.00 N ATOM 1220 CA ALA A 77 -4.492 -4.396 9.073 1.00 0.00 C ATOM 1221 C ALA A 77 -3.453 -5.281 9.779 1.00 0.00 C ATOM 1222 O ALA A 77 -3.732 -5.836 10.832 1.00 0.00 O ATOM 1223 CB ALA A 77 -4.991 -5.060 7.773 1.00 0.00 C ATOM 0 H ALA A 77 -3.814 -2.866 7.803 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.354 -4.272 9.729 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.419 -6.036 8.004 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.752 -4.430 7.312 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -4.156 -5.184 7.084 1.00 0.00 H new ATOM 1229 N ARG A 78 -2.226 -5.329 9.209 1.00 0.00 N ATOM 1230 CA ARG A 78 -1.105 -6.154 9.742 1.00 0.00 C ATOM 1231 C ARG A 78 -0.607 -5.649 11.113 1.00 0.00 C ATOM 1232 O ARG A 78 0.079 -6.387 11.831 1.00 0.00 O ATOM 1233 CB ARG A 78 0.086 -6.201 8.745 1.00 0.00 C ATOM 1234 CG ARG A 78 -0.281 -6.651 7.320 1.00 0.00 C ATOM 1235 CD ARG A 78 -0.918 -8.051 7.253 1.00 0.00 C ATOM 1236 NE ARG A 78 -1.438 -8.337 5.903 1.00 0.00 N ATOM 1237 CZ ARG A 78 -0.706 -8.706 4.842 1.00 0.00 C ATOM 1238 NH1 ARG A 78 0.597 -8.942 4.953 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -1.292 -8.852 3.656 1.00 0.00 N ATOM 0 H ARG A 78 -1.981 -4.802 8.371 1.00 0.00 H new ATOM 0 HA ARG A 78 -1.504 -7.160 9.873 1.00 0.00 H new ATOM 0 HB2 ARG A 78 0.537 -5.210 8.693 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.845 -6.876 9.140 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.972 -5.927 6.887 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.618 -6.642 6.704 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -0.178 -8.803 7.527 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.728 -8.120 7.979 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.444 -8.246 5.764 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.058 -8.843 5.858 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.136 -9.222 4.134 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.293 -8.683 3.558 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.740 -9.133 2.845 1.00 0.00 H new ATOM 1253 N LYS A 79 -0.940 -4.382 11.450 1.00 0.00 N ATOM 1254 CA LYS A 79 -0.648 -3.801 12.777 1.00 0.00 C ATOM 1255 C LYS A 79 -1.455 -4.514 13.876 1.00 0.00 C ATOM 1256 O LYS A 79 -0.947 -4.726 14.975 1.00 0.00 O ATOM 1257 CB LYS A 79 -0.937 -2.270 12.807 1.00 0.00 C ATOM 1258 CG LYS A 79 -0.023 -1.417 11.902 1.00 0.00 C ATOM 1259 CD LYS A 79 1.475 -1.609 12.216 1.00 0.00 C ATOM 1260 CE LYS A 79 2.382 -0.792 11.291 1.00 0.00 C ATOM 1261 NZ LYS A 79 3.801 -1.148 11.494 1.00 0.00 N ATOM 0 H LYS A 79 -1.414 -3.740 10.815 1.00 0.00 H new ATOM 0 HA LYS A 79 0.415 -3.948 12.970 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.973 -2.105 12.511 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.839 -1.917 13.834 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.207 -1.676 10.859 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -0.282 -0.365 12.020 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.665 -1.322 13.250 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.728 -2.665 12.126 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.103 -0.970 10.252 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.239 0.272 11.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.406 -0.391 11.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.987 -1.267 12.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.010 -2.037 10.997 1.00 0.00 H new