USER MOD reduce.3.24.130724 H: found=0, std=0, add=970, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 970 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 NoAdj-H: A 46 HIS HD1 : A 46 HIS ND1 : A 121 CU1CU :(H bumps) USER MOD NoAdj-H: A 83 HIS HE2 : A 83 HIS NE2 : A 121 CU1CU :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -169:sc= 3.29 (180deg=2.85) USER MOD Single : A 2 SER OG : rot 86:sc= 1.25 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0954 USER MOD Single : A 11 SER OG : rot -154:sc= 1.23 USER MOD Single : A 15 ASN : amide:sc= -1.01 X(o=-1,f=-1.5!) USER MOD Single : A 19 TYR OH : rot 90:sc= 0.386 USER MOD Single : A 21 THR OG1 : rot 115:sc= 1.16 USER MOD Single : A 24 ASN : amide:sc= 0.358 K(o=0.36,f=-3.1) USER MOD Single : A 37 THR OG1 : rot 95:sc= -0.581 USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00429 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -160:sc= -0.0707 (180deg=-1.02!) USER MOD Single : A 57 LYS NZ :NH3+ -107:sc= 1.18 (180deg=-0.45) USER MOD Single : A 59 MET CE :methyl -176:sc=-0.00319 (180deg=-0.102) USER MOD Single : A 61 MET CE :methyl -170:sc= 0 (180deg=-0.19) USER MOD Single : A 72 LYS NZ :NH3+ 162:sc= 0.436! (180deg=0.335) USER MOD Single : A 78 LYS NZ :NH3+ 153:sc= 2.3 (180deg=0.981) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -175:sc= -0.0827 (180deg=-0.149) USER MOD Single : A 90 LYS NZ :NH3+ -155:sc= 0.416 (180deg=-1.2!) USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= 0.533 (180deg=-0.789!) USER MOD Single : A 109 LYS NZ :NH3+ 163:sc= 1.87 (180deg=1.46) USER MOD Single : A 112 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.502 7.740 6.524 1.00 10.27 N ATOM 2 CA GLY A 1 10.134 8.566 7.566 1.00 10.05 C ATOM 3 C GLY A 1 11.604 8.217 7.668 1.00 8.68 C ATOM 4 O GLY A 1 12.473 9.067 7.493 1.00 9.17 O ATOM 0 H1 GLY A 1 8.548 8.103 6.324 1.00 10.27 H new ATOM 0 H2 GLY A 1 10.075 7.776 5.657 1.00 10.27 H new ATOM 0 H3 GLY A 1 9.435 6.756 6.854 1.00 10.27 H new ATOM 0 HA2 GLY A 1 10.016 9.623 7.327 1.00 10.05 H new ATOM 0 HA3 GLY A 1 9.643 8.399 8.525 1.00 10.05 H new ATOM 10 N SER A 2 11.886 6.956 7.952 1.00 7.38 N ATOM 11 CA SER A 2 13.055 6.222 7.464 1.00 6.13 C ATOM 12 C SER A 2 12.680 5.433 6.187 1.00 5.21 C ATOM 13 O SER A 2 11.553 5.519 5.691 1.00 5.96 O ATOM 14 CB SER A 2 13.570 5.243 8.545 1.00 6.22 C ATOM 15 OG SER A 2 13.334 5.687 9.868 1.00 7.28 O ATOM 0 H SER A 2 11.287 6.389 8.552 1.00 7.38 H new ATOM 0 HA SER A 2 13.844 6.937 7.233 1.00 6.13 H new ATOM 0 HB2 SER A 2 13.091 4.274 8.404 1.00 6.22 H new ATOM 0 HB3 SER A 2 14.641 5.092 8.407 1.00 6.22 H new ATOM 0 HG SER A 2 12.437 5.411 10.150 1.00 7.28 H new ATOM 21 N PHE A 3 13.590 4.602 5.668 1.00 4.51 N ATOM 22 CA PHE A 3 13.278 3.643 4.602 1.00 4.24 C ATOM 23 C PHE A 3 12.608 2.371 5.148 1.00 3.36 C ATOM 24 O PHE A 3 12.895 1.941 6.266 1.00 4.07 O ATOM 25 CB PHE A 3 14.565 3.280 3.845 1.00 5.53 C ATOM 26 CG PHE A 3 15.231 4.448 3.144 1.00 6.99 C ATOM 27 CD1 PHE A 3 14.679 4.950 1.951 1.00 8.11 C ATOM 28 CD2 PHE A 3 16.399 5.028 3.673 1.00 7.83 C ATOM 29 CE1 PHE A 3 15.302 6.019 1.281 1.00 9.94 C ATOM 30 CE2 PHE A 3 17.015 6.104 3.009 1.00 9.57 C ATOM 31 CZ PHE A 3 16.466 6.599 1.813 1.00 10.60 C ATOM 0 H PHE A 3 14.563 4.575 5.974 1.00 4.51 H new ATOM 0 HA PHE A 3 12.569 4.116 3.923 1.00 4.24 H new ATOM 0 HB2 PHE A 3 15.274 2.842 4.548 1.00 5.53 H new ATOM 0 HB3 PHE A 3 14.333 2.513 3.106 1.00 5.53 H new ATOM 0 HD1 PHE A 3 13.776 4.514 1.549 1.00 8.11 H new ATOM 0 HD2 PHE A 3 16.823 4.646 4.590 1.00 7.83 H new ATOM 0 HE1 PHE A 3 14.885 6.394 0.358 1.00 9.94 H new ATOM 0 HE2 PHE A 3 17.910 6.550 3.418 1.00 9.57 H new ATOM 0 HZ PHE A 3 16.939 7.425 1.303 1.00 10.60 H new ATOM 41 N THR A 4 11.754 1.742 4.323 1.00 3.16 N ATOM 42 CA THR A 4 11.161 0.397 4.504 1.00 3.06 C ATOM 43 C THR A 4 10.295 0.239 5.762 1.00 2.03 C ATOM 44 O THR A 4 10.055 -0.873 6.213 1.00 2.70 O ATOM 45 CB THR A 4 12.175 -0.744 4.268 1.00 4.10 C ATOM 46 OG1 THR A 4 13.381 -0.526 4.960 1.00 4.51 O ATOM 47 CG2 THR A 4 12.545 -0.845 2.787 1.00 5.13 C ATOM 0 H THR A 4 11.437 2.181 3.459 1.00 3.16 H new ATOM 0 HA THR A 4 10.432 0.299 3.699 1.00 3.06 H new ATOM 0 HB THR A 4 11.689 -1.653 4.623 1.00 4.10 H new ATOM 0 HG1 THR A 4 13.996 -1.269 4.787 1.00 4.51 H new ATOM 0 HG21 THR A 4 13.260 -1.655 2.645 1.00 5.13 H new ATOM 0 HG22 THR A 4 11.648 -1.046 2.201 1.00 5.13 H new ATOM 0 HG23 THR A 4 12.991 0.094 2.458 1.00 5.13 H new ATOM 55 N GLU A 5 9.742 1.344 6.268 1.00 1.17 N ATOM 56 CA GLU A 5 8.759 1.382 7.361 1.00 1.12 C ATOM 57 C GLU A 5 7.353 1.009 6.839 1.00 0.96 C ATOM 58 O GLU A 5 6.439 1.836 6.826 1.00 1.31 O ATOM 59 CB GLU A 5 8.746 2.786 8.005 1.00 2.27 C ATOM 60 CG GLU A 5 10.094 3.242 8.577 1.00 2.88 C ATOM 61 CD GLU A 5 10.091 4.716 8.980 1.00 3.94 C ATOM 62 OE1 GLU A 5 9.536 5.562 8.239 1.00 4.94 O ATOM 63 OE2 GLU A 5 10.809 5.076 9.935 1.00 4.56 O ATOM 0 H GLU A 5 9.973 2.273 5.917 1.00 1.17 H new ATOM 0 HA GLU A 5 9.043 0.651 8.118 1.00 1.12 H new ATOM 0 HB2 GLU A 5 8.420 3.510 7.258 1.00 2.27 H new ATOM 0 HB3 GLU A 5 8.005 2.797 8.804 1.00 2.27 H new ATOM 0 HG2 GLU A 5 10.341 2.632 9.446 1.00 2.88 H new ATOM 0 HG3 GLU A 5 10.875 3.073 7.836 1.00 2.88 H new ATOM 70 N GLY A 6 7.182 -0.213 6.320 1.00 0.99 N ATOM 71 CA GLY A 6 5.887 -0.738 5.868 1.00 1.16 C ATOM 72 C GLY A 6 5.321 -1.756 6.851 1.00 0.78 C ATOM 73 O GLY A 6 6.069 -2.355 7.618 1.00 0.96 O ATOM 0 H GLY A 6 7.949 -0.874 6.200 1.00 0.99 H new ATOM 0 HA2 GLY A 6 5.182 0.085 5.749 1.00 1.16 H new ATOM 0 HA3 GLY A 6 6.004 -1.203 4.889 1.00 1.16 H new ATOM 77 N TRP A 7 4.009 -2.000 6.792 1.00 0.74 N ATOM 78 CA TRP A 7 3.362 -3.126 7.447 1.00 0.64 C ATOM 79 C TRP A 7 2.031 -3.495 6.783 1.00 0.62 C ATOM 80 O TRP A 7 1.414 -2.687 6.082 1.00 0.63 O ATOM 81 CB TRP A 7 3.213 -2.881 8.946 1.00 0.81 C ATOM 82 CG TRP A 7 2.245 -1.844 9.420 1.00 0.92 C ATOM 83 CD1 TRP A 7 0.960 -2.077 9.768 1.00 1.04 C ATOM 84 CD2 TRP A 7 2.500 -0.443 9.746 1.00 1.32 C ATOM 85 NE1 TRP A 7 0.415 -0.937 10.319 1.00 1.35 N ATOM 86 CE2 TRP A 7 1.335 0.092 10.369 1.00 1.55 C ATOM 87 CE3 TRP A 7 3.617 0.413 9.625 1.00 1.72 C ATOM 88 CZ2 TRP A 7 1.295 1.391 10.894 1.00 2.07 C ATOM 89 CZ3 TRP A 7 3.575 1.735 10.109 1.00 2.26 C ATOM 90 CH2 TRP A 7 2.423 2.221 10.753 1.00 2.41 C ATOM 0 H TRP A 7 3.360 -1.406 6.276 1.00 0.74 H new ATOM 0 HA TRP A 7 4.013 -3.992 7.324 1.00 0.64 H new ATOM 0 HB2 TRP A 7 2.933 -3.828 9.408 1.00 0.81 H new ATOM 0 HB3 TRP A 7 4.196 -2.615 9.335 1.00 0.81 H new ATOM 0 HD1 TRP A 7 0.439 -3.014 9.635 1.00 1.04 H new ATOM 0 HE1 TRP A 7 -0.547 -0.863 10.649 1.00 1.35 H new ATOM 0 HE3 TRP A 7 4.518 0.048 9.154 1.00 1.72 H new ATOM 0 HZ2 TRP A 7 0.411 1.750 11.400 1.00 2.07 H new ATOM 0 HZ3 TRP A 7 4.433 2.379 9.985 1.00 2.26 H new ATOM 0 HH2 TRP A 7 2.404 3.230 11.139 1.00 2.41 H new ATOM 101 N VAL A 8 1.617 -4.744 6.994 1.00 0.77 N ATOM 102 CA VAL A 8 0.334 -5.285 6.533 1.00 0.89 C ATOM 103 C VAL A 8 -0.666 -5.217 7.693 1.00 1.06 C ATOM 104 O VAL A 8 -0.288 -5.414 8.852 1.00 1.35 O ATOM 105 CB VAL A 8 0.470 -6.744 6.022 1.00 1.06 C ATOM 106 CG1 VAL A 8 -0.751 -7.177 5.191 1.00 1.16 C ATOM 107 CG2 VAL A 8 1.723 -6.951 5.145 1.00 1.11 C ATOM 0 H VAL A 8 2.178 -5.427 7.503 1.00 0.77 H new ATOM 0 HA VAL A 8 -0.018 -4.687 5.692 1.00 0.89 H new ATOM 0 HB VAL A 8 0.550 -7.351 6.924 1.00 1.06 H new ATOM 0 HG11 VAL A 8 -0.615 -8.204 4.853 1.00 1.16 H new ATOM 0 HG12 VAL A 8 -1.650 -7.113 5.804 1.00 1.16 H new ATOM 0 HG13 VAL A 8 -0.854 -6.521 4.327 1.00 1.16 H new ATOM 0 HG21 VAL A 8 1.769 -7.989 4.815 1.00 1.11 H new ATOM 0 HG22 VAL A 8 1.671 -6.296 4.276 1.00 1.11 H new ATOM 0 HG23 VAL A 8 2.616 -6.715 5.724 1.00 1.11 H new ATOM 117 N ARG A 9 -1.939 -4.969 7.374 1.00 1.06 N ATOM 118 CA ARG A 9 -3.078 -5.192 8.278 1.00 1.15 C ATOM 119 C ARG A 9 -3.316 -6.710 8.495 1.00 1.12 C ATOM 120 O ARG A 9 -2.452 -7.542 8.204 1.00 2.21 O ATOM 121 CB ARG A 9 -4.313 -4.452 7.704 1.00 1.39 C ATOM 122 CG ARG A 9 -4.249 -2.916 7.813 1.00 1.95 C ATOM 123 CD ARG A 9 -4.606 -2.392 9.217 1.00 2.83 C ATOM 124 NE ARG A 9 -4.639 -0.913 9.271 1.00 3.87 N ATOM 125 CZ ARG A 9 -5.373 -0.140 10.067 1.00 4.68 C ATOM 126 NH1 ARG A 9 -6.093 -0.625 11.057 1.00 5.05 N ATOM 127 NH2 ARG A 9 -5.395 1.164 9.861 1.00 5.79 N ATOM 0 H ARG A 9 -2.215 -4.601 6.464 1.00 1.06 H new ATOM 0 HA ARG A 9 -2.872 -4.783 9.267 1.00 1.15 H new ATOM 0 HB2 ARG A 9 -4.428 -4.724 6.655 1.00 1.39 H new ATOM 0 HB3 ARG A 9 -5.204 -4.803 8.224 1.00 1.39 H new ATOM 0 HG2 ARG A 9 -3.245 -2.581 7.552 1.00 1.95 H new ATOM 0 HG3 ARG A 9 -4.931 -2.478 7.084 1.00 1.95 H new ATOM 0 HD2 ARG A 9 -5.578 -2.786 9.514 1.00 2.83 H new ATOM 0 HD3 ARG A 9 -3.878 -2.764 9.938 1.00 2.83 H new ATOM 0 HE ARG A 9 -4.024 -0.427 8.618 1.00 3.87 H new ATOM 0 HH11 ARG A 9 -6.102 -1.629 11.237 1.00 5.05 H new ATOM 0 HH12 ARG A 9 -6.642 0.003 11.644 1.00 5.05 H new ATOM 0 HH21 ARG A 9 -4.853 1.569 9.098 1.00 5.79 H new ATOM 0 HH22 ARG A 9 -5.954 1.766 10.465 1.00 5.79 H new ATOM 141 N PHE A 10 -4.514 -7.100 8.930 1.00 1.36 N ATOM 142 CA PHE A 10 -4.925 -8.484 9.143 1.00 1.23 C ATOM 143 C PHE A 10 -6.248 -8.770 8.432 1.00 1.25 C ATOM 144 O PHE A 10 -7.091 -7.891 8.264 1.00 1.33 O ATOM 145 CB PHE A 10 -5.042 -8.768 10.652 1.00 1.29 C ATOM 146 CG PHE A 10 -5.515 -10.177 10.959 1.00 1.26 C ATOM 147 CD1 PHE A 10 -4.714 -11.280 10.604 1.00 2.04 C ATOM 148 CD2 PHE A 10 -6.797 -10.392 11.501 1.00 2.61 C ATOM 149 CE1 PHE A 10 -5.210 -12.586 10.757 1.00 2.37 C ATOM 150 CE2 PHE A 10 -7.282 -11.702 11.673 1.00 2.54 C ATOM 151 CZ PHE A 10 -6.491 -12.798 11.291 1.00 1.65 C ATOM 0 H PHE A 10 -5.253 -6.432 9.152 1.00 1.36 H new ATOM 0 HA PHE A 10 -4.169 -9.145 8.720 1.00 1.23 H new ATOM 0 HB2 PHE A 10 -4.072 -8.607 11.122 1.00 1.29 H new ATOM 0 HB3 PHE A 10 -5.735 -8.054 11.097 1.00 1.29 H new ATOM 0 HD1 PHE A 10 -3.719 -11.122 10.214 1.00 2.04 H new ATOM 0 HD2 PHE A 10 -7.410 -9.549 11.785 1.00 2.61 H new ATOM 0 HE1 PHE A 10 -4.603 -13.430 10.463 1.00 2.37 H new ATOM 0 HE2 PHE A 10 -8.261 -11.864 12.098 1.00 2.54 H new ATOM 0 HZ PHE A 10 -6.868 -13.803 11.408 1.00 1.65 H new ATOM 161 N SER A 11 -6.428 -10.025 8.026 1.00 1.28 N ATOM 162 CA SER A 11 -7.648 -10.568 7.429 1.00 1.37 C ATOM 163 C SER A 11 -7.523 -12.096 7.319 1.00 1.43 C ATOM 164 O SER A 11 -6.411 -12.563 7.059 1.00 1.48 O ATOM 165 CB SER A 11 -7.851 -9.984 6.028 1.00 1.41 C ATOM 166 OG SER A 11 -9.098 -10.376 5.493 1.00 2.42 O ATOM 0 H SER A 11 -5.691 -10.726 8.108 1.00 1.28 H new ATOM 0 HA SER A 11 -8.499 -10.305 8.058 1.00 1.37 H new ATOM 0 HB2 SER A 11 -7.796 -8.896 6.072 1.00 1.41 H new ATOM 0 HB3 SER A 11 -7.048 -10.318 5.371 1.00 1.41 H new ATOM 0 HG SER A 11 -9.050 -10.372 4.514 1.00 2.42 H new ATOM 172 N PRO A 12 -8.609 -12.877 7.486 1.00 1.57 N ATOM 173 CA PRO A 12 -8.609 -14.314 7.202 1.00 1.68 C ATOM 174 C PRO A 12 -8.639 -14.620 5.699 1.00 1.43 C ATOM 175 O PRO A 12 -8.266 -15.714 5.282 1.00 1.63 O ATOM 176 CB PRO A 12 -9.883 -14.826 7.872 1.00 1.97 C ATOM 177 CG PRO A 12 -10.850 -13.650 7.769 1.00 1.93 C ATOM 178 CD PRO A 12 -9.926 -12.448 7.952 1.00 1.76 C ATOM 0 HA PRO A 12 -7.700 -14.789 7.572 1.00 1.68 H new ATOM 0 HB2 PRO A 12 -10.273 -15.709 7.366 1.00 1.97 H new ATOM 0 HB3 PRO A 12 -9.704 -15.106 8.910 1.00 1.97 H new ATOM 0 HG2 PRO A 12 -11.360 -13.627 6.806 1.00 1.93 H new ATOM 0 HG3 PRO A 12 -11.622 -13.690 8.538 1.00 1.93 H new ATOM 0 HD2 PRO A 12 -10.282 -11.591 7.380 1.00 1.76 H new ATOM 0 HD3 PRO A 12 -9.889 -12.140 8.997 1.00 1.76 H new ATOM 186 N GLY A 13 -9.109 -13.654 4.904 1.00 1.13 N ATOM 187 CA GLY A 13 -9.334 -13.756 3.462 1.00 0.93 C ATOM 188 C GLY A 13 -10.720 -13.225 3.063 1.00 0.95 C ATOM 189 O GLY A 13 -11.516 -12.888 3.941 1.00 1.15 O ATOM 0 H GLY A 13 -9.355 -12.734 5.269 1.00 1.13 H new ATOM 0 HA2 GLY A 13 -8.563 -13.195 2.933 1.00 0.93 H new ATOM 0 HA3 GLY A 13 -9.240 -14.797 3.152 1.00 0.93 H new ATOM 193 N PRO A 14 -11.031 -13.120 1.755 1.00 0.88 N ATOM 194 CA PRO A 14 -10.185 -13.463 0.612 1.00 0.77 C ATOM 195 C PRO A 14 -9.146 -12.378 0.270 1.00 0.68 C ATOM 196 O PRO A 14 -8.377 -12.557 -0.677 1.00 0.73 O ATOM 197 CB PRO A 14 -11.175 -13.650 -0.543 1.00 0.93 C ATOM 198 CG PRO A 14 -12.257 -12.615 -0.234 1.00 1.09 C ATOM 199 CD PRO A 14 -12.339 -12.669 1.292 1.00 1.08 C ATOM 0 HA PRO A 14 -9.588 -14.350 0.823 1.00 0.77 H new ATOM 0 HB2 PRO A 14 -10.707 -13.469 -1.510 1.00 0.93 H new ATOM 0 HB3 PRO A 14 -11.579 -14.662 -0.569 1.00 0.93 H new ATOM 0 HG2 PRO A 14 -11.983 -11.622 -0.591 1.00 1.09 H new ATOM 0 HG3 PRO A 14 -13.208 -12.870 -0.701 1.00 1.09 H new ATOM 0 HD2 PRO A 14 -12.581 -11.689 1.704 1.00 1.08 H new ATOM 0 HD3 PRO A 14 -13.123 -13.353 1.616 1.00 1.08 H new ATOM 207 N ASN A 15 -9.112 -11.258 1.007 1.00 0.63 N ATOM 208 CA ASN A 15 -8.210 -10.136 0.759 1.00 0.56 C ATOM 209 C ASN A 15 -7.777 -9.398 2.039 1.00 0.50 C ATOM 210 O ASN A 15 -8.393 -9.518 3.096 1.00 0.73 O ATOM 211 CB ASN A 15 -8.844 -9.190 -0.272 1.00 0.81 C ATOM 212 CG ASN A 15 -10.090 -8.441 0.161 1.00 1.16 C ATOM 213 OD1 ASN A 15 -10.431 -8.319 1.323 1.00 1.66 O ATOM 214 ND2 ASN A 15 -10.810 -7.896 -0.798 1.00 1.85 N ATOM 0 H ASN A 15 -9.726 -11.109 1.808 1.00 0.63 H new ATOM 0 HA ASN A 15 -7.284 -10.541 0.351 1.00 0.56 H new ATOM 0 HB2 ASN A 15 -8.093 -8.457 -0.567 1.00 0.81 H new ATOM 0 HB3 ASN A 15 -9.089 -9.772 -1.161 1.00 0.81 H new ATOM 0 HD21 ASN A 15 -11.654 -7.371 -0.567 1.00 1.85 H new ATOM 0 HD22 ASN A 15 -10.524 -7.999 -1.772 1.00 1.85 H new ATOM 221 N ALA A 16 -6.701 -8.628 1.914 1.00 0.39 N ATOM 222 CA ALA A 16 -6.001 -7.823 2.927 1.00 0.37 C ATOM 223 C ALA A 16 -5.695 -6.417 2.354 1.00 0.35 C ATOM 224 O ALA A 16 -6.019 -6.118 1.202 1.00 0.38 O ATOM 225 CB ALA A 16 -4.713 -8.580 3.289 1.00 0.42 C ATOM 0 H ALA A 16 -6.244 -8.539 1.006 1.00 0.39 H new ATOM 0 HA ALA A 16 -6.609 -7.680 3.821 1.00 0.37 H new ATOM 0 HB1 ALA A 16 -4.159 -8.017 4.041 1.00 0.42 H new ATOM 0 HB2 ALA A 16 -4.968 -9.563 3.686 1.00 0.42 H new ATOM 0 HB3 ALA A 16 -4.097 -8.698 2.397 1.00 0.42 H new ATOM 231 N ALA A 17 -5.042 -5.557 3.137 1.00 0.41 N ATOM 232 CA ALA A 17 -4.501 -4.263 2.711 1.00 0.40 C ATOM 233 C ALA A 17 -3.076 -4.114 3.273 1.00 0.45 C ATOM 234 O ALA A 17 -2.813 -4.570 4.387 1.00 0.73 O ATOM 235 CB ALA A 17 -5.405 -3.148 3.255 1.00 0.49 C ATOM 0 H ALA A 17 -4.868 -5.749 4.124 1.00 0.41 H new ATOM 0 HA ALA A 17 -4.466 -4.199 1.623 1.00 0.40 H new ATOM 0 HB1 ALA A 17 -5.014 -2.179 2.945 1.00 0.49 H new ATOM 0 HB2 ALA A 17 -6.414 -3.274 2.863 1.00 0.49 H new ATOM 0 HB3 ALA A 17 -5.430 -3.198 4.344 1.00 0.49 H new ATOM 241 N ALA A 18 -2.184 -3.442 2.543 1.00 0.39 N ATOM 242 CA ALA A 18 -0.787 -3.240 2.928 1.00 0.41 C ATOM 243 C ALA A 18 -0.302 -1.815 2.635 1.00 0.56 C ATOM 244 O ALA A 18 -0.737 -1.164 1.678 1.00 0.65 O ATOM 245 CB ALA A 18 0.085 -4.267 2.196 1.00 0.55 C ATOM 0 H ALA A 18 -2.419 -3.014 1.648 1.00 0.39 H new ATOM 0 HA ALA A 18 -0.706 -3.380 4.006 1.00 0.41 H new ATOM 0 HB1 ALA A 18 1.129 -4.124 2.477 1.00 0.55 H new ATOM 0 HB2 ALA A 18 -0.230 -5.274 2.471 1.00 0.55 H new ATOM 0 HB3 ALA A 18 -0.023 -4.134 1.119 1.00 0.55 H new ATOM 251 N TYR A 19 0.623 -1.352 3.475 1.00 0.74 N ATOM 252 CA TYR A 19 1.269 -0.033 3.437 1.00 1.13 C ATOM 253 C TYR A 19 2.776 -0.160 3.164 1.00 1.38 C ATOM 254 O TYR A 19 3.451 -0.970 3.794 1.00 1.99 O ATOM 255 CB TYR A 19 1.077 0.666 4.793 1.00 1.43 C ATOM 256 CG TYR A 19 -0.333 0.600 5.337 1.00 1.38 C ATOM 257 CD1 TYR A 19 -1.373 1.243 4.647 1.00 2.20 C ATOM 258 CD2 TYR A 19 -0.604 -0.100 6.531 1.00 2.21 C ATOM 259 CE1 TYR A 19 -2.686 1.194 5.144 1.00 2.21 C ATOM 260 CE2 TYR A 19 -1.919 -0.170 7.023 1.00 2.43 C ATOM 261 CZ TYR A 19 -2.967 0.464 6.316 1.00 1.70 C ATOM 262 OH TYR A 19 -4.245 0.409 6.765 1.00 1.97 O ATOM 0 H TYR A 19 0.965 -1.920 4.250 1.00 0.74 H new ATOM 0 HA TYR A 19 0.812 0.545 2.634 1.00 1.13 H new ATOM 0 HB2 TYR A 19 1.755 0.216 5.519 1.00 1.43 H new ATOM 0 HB3 TYR A 19 1.366 1.712 4.693 1.00 1.43 H new ATOM 0 HD1 TYR A 19 -1.163 1.777 3.732 1.00 2.20 H new ATOM 0 HD2 TYR A 19 0.199 -0.583 7.068 1.00 2.21 H new ATOM 0 HE1 TYR A 19 -3.479 1.715 4.628 1.00 2.21 H new ATOM 0 HE2 TYR A 19 -2.128 -0.706 7.937 1.00 2.43 H new ATOM 0 HH TYR A 19 -4.699 -0.362 6.366 1.00 1.97 H new ATOM 272 N LEU A 20 3.329 0.681 2.284 1.00 1.39 N ATOM 273 CA LEU A 20 4.774 0.765 2.032 1.00 1.48 C ATOM 274 C LEU A 20 5.313 2.146 2.413 1.00 1.09 C ATOM 275 O LEU A 20 4.652 3.159 2.164 1.00 1.02 O ATOM 276 CB LEU A 20 5.087 0.499 0.546 1.00 1.97 C ATOM 277 CG LEU A 20 4.838 -0.917 -0.014 1.00 1.48 C ATOM 278 CD1 LEU A 20 5.507 -2.013 0.825 1.00 2.84 C ATOM 279 CD2 LEU A 20 3.360 -1.234 -0.248 1.00 1.47 C ATOM 0 H LEU A 20 2.781 1.330 1.720 1.00 1.39 H new ATOM 0 HA LEU A 20 5.258 0.005 2.646 1.00 1.48 H new ATOM 0 HB2 LEU A 20 4.499 1.199 -0.048 1.00 1.97 H new ATOM 0 HB3 LEU A 20 6.136 0.742 0.379 1.00 1.97 H new ATOM 0 HG LEU A 20 5.315 -0.912 -0.994 1.00 1.48 H new ATOM 0 HD11 LEU A 20 5.298 -2.988 0.384 1.00 2.84 H new ATOM 0 HD12 LEU A 20 6.584 -1.848 0.847 1.00 2.84 H new ATOM 0 HD13 LEU A 20 5.115 -1.983 1.842 1.00 2.84 H new ATOM 0 HD21 LEU A 20 3.263 -2.246 -0.642 1.00 1.47 H new ATOM 0 HD22 LEU A 20 2.818 -1.158 0.695 1.00 1.47 H new ATOM 0 HD23 LEU A 20 2.945 -0.525 -0.964 1.00 1.47 H new ATOM 291 N THR A 21 6.552 2.186 2.913 1.00 1.08 N ATOM 292 CA THR A 21 7.337 3.420 3.056 1.00 1.05 C ATOM 293 C THR A 21 8.670 3.271 2.349 1.00 1.58 C ATOM 294 O THR A 21 9.515 2.481 2.759 1.00 2.21 O ATOM 295 CB THR A 21 7.526 3.791 4.523 1.00 1.06 C ATOM 296 OG1 THR A 21 6.252 3.951 5.096 1.00 1.50 O ATOM 297 CG2 THR A 21 8.308 5.091 4.714 1.00 1.49 C ATOM 0 H THR A 21 7.046 1.353 3.234 1.00 1.08 H new ATOM 0 HA THR A 21 6.786 4.236 2.588 1.00 1.05 H new ATOM 0 HB THR A 21 8.099 2.995 4.998 1.00 1.06 H new ATOM 0 HG1 THR A 21 6.109 3.258 5.774 1.00 1.50 H new ATOM 0 HG21 THR A 21 8.410 5.301 5.779 1.00 1.49 H new ATOM 0 HG22 THR A 21 9.297 4.989 4.268 1.00 1.49 H new ATOM 0 HG23 THR A 21 7.775 5.910 4.231 1.00 1.49 H new ATOM 305 N LEU A 22 8.843 4.054 1.290 1.00 1.68 N ATOM 306 CA LEU A 22 10.105 4.330 0.605 1.00 2.29 C ATOM 307 C LEU A 22 10.302 5.852 0.584 1.00 1.59 C ATOM 308 O LEU A 22 9.396 6.603 0.939 1.00 1.26 O ATOM 309 CB LEU A 22 10.050 3.726 -0.823 1.00 3.29 C ATOM 310 CG LEU A 22 10.998 2.543 -1.102 1.00 4.48 C ATOM 311 CD1 LEU A 22 12.470 2.969 -1.022 1.00 4.97 C ATOM 312 CD2 LEU A 22 10.743 1.343 -0.179 1.00 5.41 C ATOM 0 H LEU A 22 8.059 4.544 0.859 1.00 1.68 H new ATOM 0 HA LEU A 22 10.953 3.875 1.117 1.00 2.29 H new ATOM 0 HB2 LEU A 22 9.029 3.399 -1.017 1.00 3.29 H new ATOM 0 HB3 LEU A 22 10.272 4.518 -1.538 1.00 3.29 H new ATOM 0 HG LEU A 22 10.781 2.221 -2.121 1.00 4.48 H new ATOM 0 HD11 LEU A 22 13.109 2.109 -1.224 1.00 4.97 H new ATOM 0 HD12 LEU A 22 12.664 3.747 -1.760 1.00 4.97 H new ATOM 0 HD13 LEU A 22 12.684 3.353 -0.025 1.00 4.97 H new ATOM 0 HD21 LEU A 22 11.441 0.542 -0.423 1.00 5.41 H new ATOM 0 HD22 LEU A 22 10.886 1.645 0.858 1.00 5.41 H new ATOM 0 HD23 LEU A 22 9.721 0.989 -0.316 1.00 5.41 H new ATOM 324 N GLU A 23 11.445 6.336 0.114 1.00 1.67 N ATOM 325 CA GLU A 23 11.715 7.762 -0.092 1.00 1.49 C ATOM 326 C GLU A 23 12.601 7.889 -1.329 1.00 1.62 C ATOM 327 O GLU A 23 13.253 6.918 -1.715 1.00 2.12 O ATOM 328 CB GLU A 23 12.331 8.432 1.159 1.00 2.47 C ATOM 329 CG GLU A 23 11.439 8.225 2.398 1.00 3.54 C ATOM 330 CD GLU A 23 11.725 9.112 3.593 1.00 4.71 C ATOM 331 OE1 GLU A 23 12.419 10.137 3.468 1.00 5.55 O ATOM 332 OE2 GLU A 23 11.097 8.857 4.638 1.00 5.39 O ATOM 0 H GLU A 23 12.231 5.738 -0.142 1.00 1.67 H new ATOM 0 HA GLU A 23 10.781 8.299 -0.256 1.00 1.49 H new ATOM 0 HB2 GLU A 23 13.321 8.017 1.347 1.00 2.47 H new ATOM 0 HB3 GLU A 23 12.462 9.499 0.976 1.00 2.47 H new ATOM 0 HG2 GLU A 23 10.401 8.377 2.101 1.00 3.54 H new ATOM 0 HG3 GLU A 23 11.531 7.186 2.715 1.00 3.54 H new ATOM 339 N ASN A 24 12.578 9.045 -1.990 1.00 1.34 N ATOM 340 CA ASN A 24 13.240 9.243 -3.275 1.00 1.25 C ATOM 341 C ASN A 24 14.579 9.988 -3.099 1.00 1.44 C ATOM 342 O ASN A 24 14.575 11.215 -2.979 1.00 1.47 O ATOM 343 CB ASN A 24 12.290 10.032 -4.189 1.00 0.97 C ATOM 344 CG ASN A 24 12.777 10.023 -5.634 1.00 0.90 C ATOM 345 OD1 ASN A 24 13.860 9.542 -5.951 1.00 1.61 O ATOM 346 ND2 ASN A 24 11.969 10.538 -6.537 1.00 0.77 N ATOM 0 H ASN A 24 12.096 9.875 -1.645 1.00 1.34 H new ATOM 0 HA ASN A 24 13.469 8.277 -3.724 1.00 1.25 H new ATOM 0 HB2 ASN A 24 11.290 9.601 -4.137 1.00 0.97 H new ATOM 0 HB3 ASN A 24 12.212 11.060 -3.836 1.00 0.97 H new ATOM 0 HD21 ASN A 24 12.239 10.542 -7.520 1.00 0.77 H new ATOM 0 HD22 ASN A 24 11.073 10.933 -6.253 1.00 0.77 H new ATOM 353 N PRO A 25 15.736 9.299 -3.103 1.00 1.69 N ATOM 354 CA PRO A 25 17.036 9.962 -3.054 1.00 1.92 C ATOM 355 C PRO A 25 17.483 10.535 -4.407 1.00 1.73 C ATOM 356 O PRO A 25 18.396 11.358 -4.426 1.00 1.98 O ATOM 357 CB PRO A 25 18.004 8.871 -2.584 1.00 2.30 C ATOM 358 CG PRO A 25 17.387 7.600 -3.176 1.00 2.23 C ATOM 359 CD PRO A 25 15.895 7.857 -3.007 1.00 1.93 C ATOM 0 HA PRO A 25 17.001 10.827 -2.391 1.00 1.92 H new ATOM 0 HB2 PRO A 25 19.016 9.040 -2.953 1.00 2.30 H new ATOM 0 HB3 PRO A 25 18.065 8.824 -1.497 1.00 2.30 H new ATOM 0 HG2 PRO A 25 17.661 7.464 -4.222 1.00 2.23 H new ATOM 0 HG3 PRO A 25 17.709 6.705 -2.643 1.00 2.23 H new ATOM 0 HD2 PRO A 25 15.319 7.346 -3.779 1.00 1.93 H new ATOM 0 HD3 PRO A 25 15.539 7.486 -2.046 1.00 1.93 H new ATOM 367 N GLY A 26 16.860 10.134 -5.523 1.00 1.39 N ATOM 368 CA GLY A 26 17.204 10.594 -6.861 1.00 1.24 C ATOM 369 C GLY A 26 16.558 11.929 -7.201 1.00 1.13 C ATOM 370 O GLY A 26 15.904 12.570 -6.377 1.00 1.48 O ATOM 0 H GLY A 26 16.088 9.467 -5.513 1.00 1.39 H new ATOM 0 HA2 GLY A 26 18.287 10.687 -6.943 1.00 1.24 H new ATOM 0 HA3 GLY A 26 16.892 9.847 -7.590 1.00 1.24 H new ATOM 374 N ASP A 27 16.814 12.364 -8.427 1.00 1.14 N ATOM 375 CA ASP A 27 16.553 13.706 -8.944 1.00 1.61 C ATOM 376 C ASP A 27 15.493 13.704 -10.062 1.00 1.47 C ATOM 377 O ASP A 27 15.125 14.739 -10.612 1.00 1.83 O ATOM 378 CB ASP A 27 17.916 14.230 -9.379 1.00 2.07 C ATOM 379 CG ASP A 27 18.731 14.572 -8.127 1.00 2.71 C ATOM 380 OD1 ASP A 27 18.456 15.617 -7.501 1.00 4.00 O ATOM 381 OD2 ASP A 27 19.464 13.688 -7.629 1.00 2.72 O ATOM 0 H ASP A 27 17.234 11.756 -9.131 1.00 1.14 H new ATOM 0 HA ASP A 27 16.113 14.363 -8.194 1.00 1.61 H new ATOM 0 HB2 ASP A 27 18.436 13.481 -9.976 1.00 2.07 H new ATOM 0 HB3 ASP A 27 17.799 15.113 -10.007 1.00 2.07 H new ATOM 386 N LEU A 28 14.946 12.515 -10.324 1.00 1.07 N ATOM 387 CA LEU A 28 13.744 12.253 -11.108 1.00 1.03 C ATOM 388 C LEU A 28 12.579 11.860 -10.182 1.00 0.84 C ATOM 389 O LEU A 28 12.836 11.346 -9.089 1.00 0.79 O ATOM 390 CB LEU A 28 14.081 11.201 -12.179 1.00 1.17 C ATOM 391 CG LEU A 28 14.491 9.795 -11.676 1.00 2.34 C ATOM 392 CD1 LEU A 28 13.291 8.870 -11.405 1.00 3.31 C ATOM 393 CD2 LEU A 28 15.380 9.118 -12.729 1.00 3.20 C ATOM 0 H LEU A 28 15.362 11.654 -9.969 1.00 1.07 H new ATOM 0 HA LEU A 28 13.407 13.148 -11.630 1.00 1.03 H new ATOM 0 HB2 LEU A 28 13.213 11.089 -12.829 1.00 1.17 H new ATOM 0 HB3 LEU A 28 14.892 11.591 -12.794 1.00 1.17 H new ATOM 0 HG LEU A 28 15.017 9.946 -10.733 1.00 2.34 H new ATOM 0 HD11 LEU A 28 13.650 7.902 -11.056 1.00 3.31 H new ATOM 0 HD12 LEU A 28 12.652 9.317 -10.643 1.00 3.31 H new ATOM 0 HD13 LEU A 28 12.720 8.735 -12.324 1.00 3.31 H new ATOM 0 HD21 LEU A 28 15.670 8.128 -12.378 1.00 3.20 H new ATOM 0 HD22 LEU A 28 14.829 9.024 -13.665 1.00 3.20 H new ATOM 0 HD23 LEU A 28 16.273 9.721 -12.893 1.00 3.20 H new ATOM 405 N PRO A 29 11.313 12.081 -10.577 1.00 0.88 N ATOM 406 CA PRO A 29 10.162 11.820 -9.724 1.00 0.77 C ATOM 407 C PRO A 29 9.820 10.322 -9.709 1.00 0.74 C ATOM 408 O PRO A 29 9.984 9.633 -10.717 1.00 0.91 O ATOM 409 CB PRO A 29 9.031 12.668 -10.306 1.00 0.92 C ATOM 410 CG PRO A 29 9.362 12.720 -11.799 1.00 1.14 C ATOM 411 CD PRO A 29 10.892 12.637 -11.852 1.00 1.11 C ATOM 0 HA PRO A 29 10.349 12.082 -8.683 1.00 0.77 H new ATOM 0 HB2 PRO A 29 8.056 12.216 -10.126 1.00 0.92 H new ATOM 0 HB3 PRO A 29 9.007 13.664 -9.864 1.00 0.92 H new ATOM 0 HG2 PRO A 29 8.900 11.893 -12.338 1.00 1.14 H new ATOM 0 HG3 PRO A 29 8.998 13.640 -12.255 1.00 1.14 H new ATOM 0 HD2 PRO A 29 11.219 12.006 -12.679 1.00 1.11 H new ATOM 0 HD3 PRO A 29 11.330 13.623 -12.010 1.00 1.11 H new ATOM 419 N LEU A 30 9.318 9.831 -8.569 1.00 0.71 N ATOM 420 CA LEU A 30 8.760 8.482 -8.474 1.00 0.80 C ATOM 421 C LEU A 30 7.243 8.513 -8.557 1.00 0.72 C ATOM 422 O LEU A 30 6.546 9.304 -7.935 1.00 0.78 O ATOM 423 CB LEU A 30 9.190 7.737 -7.206 1.00 0.94 C ATOM 424 CG LEU A 30 10.660 7.292 -7.254 1.00 1.08 C ATOM 425 CD1 LEU A 30 11.148 6.883 -5.861 1.00 2.35 C ATOM 426 CD2 LEU A 30 10.925 6.105 -8.183 1.00 1.43 C ATOM 0 H LEU A 30 9.288 10.355 -7.695 1.00 0.71 H new ATOM 0 HA LEU A 30 9.164 7.934 -9.325 1.00 0.80 H new ATOM 0 HB2 LEU A 30 9.037 8.382 -6.340 1.00 0.94 H new ATOM 0 HB3 LEU A 30 8.554 6.863 -7.069 1.00 0.94 H new ATOM 0 HG LEU A 30 11.196 8.160 -7.639 1.00 1.08 H new ATOM 0 HD11 LEU A 30 12.191 6.571 -5.918 1.00 2.35 H new ATOM 0 HD12 LEU A 30 11.059 7.730 -5.181 1.00 2.35 H new ATOM 0 HD13 LEU A 30 10.542 6.056 -5.491 1.00 2.35 H new ATOM 0 HD21 LEU A 30 11.985 5.854 -8.159 1.00 1.43 H new ATOM 0 HD22 LEU A 30 10.341 5.246 -7.851 1.00 1.43 H new ATOM 0 HD23 LEU A 30 10.637 6.368 -9.201 1.00 1.43 H new ATOM 438 N ARG A 31 6.775 7.532 -9.304 1.00 0.63 N ATOM 439 CA ARG A 31 5.380 7.340 -9.713 1.00 0.46 C ATOM 440 C ARG A 31 5.022 5.881 -9.509 1.00 0.46 C ATOM 441 O ARG A 31 5.502 5.031 -10.259 1.00 0.57 O ATOM 442 CB ARG A 31 5.235 7.745 -11.184 1.00 0.56 C ATOM 443 CG ARG A 31 3.852 7.550 -11.821 1.00 0.90 C ATOM 444 CD ARG A 31 2.947 8.764 -11.624 1.00 0.97 C ATOM 445 NE ARG A 31 3.504 9.985 -12.213 1.00 1.05 N ATOM 446 CZ ARG A 31 3.468 10.398 -13.466 1.00 1.17 C ATOM 447 NH1 ARG A 31 2.915 9.685 -14.429 1.00 2.09 N ATOM 448 NH2 ARG A 31 4.009 11.559 -13.739 1.00 1.63 N ATOM 0 H ARG A 31 7.386 6.801 -9.667 1.00 0.63 H new ATOM 0 HA ARG A 31 4.705 7.957 -9.119 1.00 0.46 H new ATOM 0 HB2 ARG A 31 5.506 8.797 -11.275 1.00 0.56 H new ATOM 0 HB3 ARG A 31 5.961 7.177 -11.766 1.00 0.56 H new ATOM 0 HG2 ARG A 31 3.970 7.356 -12.887 1.00 0.90 H new ATOM 0 HG3 ARG A 31 3.376 6.670 -11.388 1.00 0.90 H new ATOM 0 HD2 ARG A 31 1.973 8.562 -12.069 1.00 0.97 H new ATOM 0 HD3 ARG A 31 2.784 8.921 -10.558 1.00 0.97 H new ATOM 0 HE ARG A 31 3.988 10.603 -11.562 1.00 1.05 H new ATOM 0 HH11 ARG A 31 2.495 8.780 -14.217 1.00 2.09 H new ATOM 0 HH12 ARG A 31 2.907 10.039 -15.386 1.00 2.09 H new ATOM 0 HH21 ARG A 31 4.438 12.109 -12.995 1.00 1.63 H new ATOM 0 HH22 ARG A 31 4.001 11.913 -14.696 1.00 1.63 H new ATOM 462 N LEU A 32 4.239 5.586 -8.479 1.00 0.44 N ATOM 463 CA LEU A 32 3.932 4.234 -8.016 1.00 0.43 C ATOM 464 C LEU A 32 2.571 3.825 -8.575 1.00 0.41 C ATOM 465 O LEU A 32 1.554 4.341 -8.125 1.00 0.47 O ATOM 466 CB LEU A 32 3.989 4.269 -6.480 1.00 0.45 C ATOM 467 CG LEU A 32 3.728 2.943 -5.744 1.00 0.65 C ATOM 468 CD1 LEU A 32 4.610 1.790 -6.237 1.00 1.91 C ATOM 469 CD2 LEU A 32 3.980 3.152 -4.243 1.00 2.38 C ATOM 0 H LEU A 32 3.782 6.307 -7.921 1.00 0.44 H new ATOM 0 HA LEU A 32 4.642 3.484 -8.365 1.00 0.43 H new ATOM 0 HB2 LEU A 32 4.973 4.633 -6.185 1.00 0.45 H new ATOM 0 HB3 LEU A 32 3.261 5.001 -6.130 1.00 0.45 H new ATOM 0 HG LEU A 32 2.694 2.664 -5.946 1.00 0.65 H new ATOM 0 HD11 LEU A 32 4.374 0.886 -5.676 1.00 1.91 H new ATOM 0 HD12 LEU A 32 4.425 1.618 -7.297 1.00 1.91 H new ATOM 0 HD13 LEU A 32 5.659 2.045 -6.089 1.00 1.91 H new ATOM 0 HD21 LEU A 32 3.798 2.219 -3.710 1.00 2.38 H new ATOM 0 HD22 LEU A 32 5.013 3.463 -4.087 1.00 2.38 H new ATOM 0 HD23 LEU A 32 3.308 3.922 -3.865 1.00 2.38 H new ATOM 481 N VAL A 33 2.557 2.952 -9.578 1.00 0.36 N ATOM 482 CA VAL A 33 1.348 2.628 -10.364 1.00 0.36 C ATOM 483 C VAL A 33 0.720 1.293 -9.940 1.00 0.36 C ATOM 484 O VAL A 33 -0.464 1.059 -10.174 1.00 0.44 O ATOM 485 CB VAL A 33 1.640 2.623 -11.889 1.00 0.40 C ATOM 486 CG1 VAL A 33 2.235 3.962 -12.371 1.00 0.48 C ATOM 487 CG2 VAL A 33 2.611 1.513 -12.340 1.00 0.41 C ATOM 0 H VAL A 33 3.386 2.440 -9.879 1.00 0.36 H new ATOM 0 HA VAL A 33 0.627 3.418 -10.154 1.00 0.36 H new ATOM 0 HB VAL A 33 0.662 2.444 -12.335 1.00 0.40 H new ATOM 0 HG11 VAL A 33 2.423 3.912 -13.444 1.00 0.48 H new ATOM 0 HG12 VAL A 33 1.532 4.768 -12.163 1.00 0.48 H new ATOM 0 HG13 VAL A 33 3.172 4.153 -11.847 1.00 0.48 H new ATOM 0 HG21 VAL A 33 2.763 1.578 -13.417 1.00 0.41 H new ATOM 0 HG22 VAL A 33 3.567 1.637 -11.831 1.00 0.41 H new ATOM 0 HG23 VAL A 33 2.191 0.539 -12.091 1.00 0.41 H new ATOM 497 N GLY A 34 1.520 0.413 -9.324 1.00 0.34 N ATOM 498 CA GLY A 34 1.110 -0.901 -8.840 1.00 0.38 C ATOM 499 C GLY A 34 2.035 -1.439 -7.755 1.00 0.38 C ATOM 500 O GLY A 34 3.019 -0.808 -7.365 1.00 0.41 O ATOM 0 H GLY A 34 2.505 0.609 -9.145 1.00 0.34 H new ATOM 0 HA2 GLY A 34 0.094 -0.840 -8.449 1.00 0.38 H new ATOM 0 HA3 GLY A 34 1.089 -1.602 -9.675 1.00 0.38 H new ATOM 504 N ALA A 35 1.741 -2.656 -7.325 1.00 0.43 N ATOM 505 CA ALA A 35 2.608 -3.501 -6.513 1.00 0.45 C ATOM 506 C ALA A 35 2.524 -4.950 -7.020 1.00 0.45 C ATOM 507 O ALA A 35 1.916 -5.221 -8.054 1.00 0.51 O ATOM 508 CB ALA A 35 2.258 -3.309 -5.029 1.00 0.49 C ATOM 0 H ALA A 35 0.851 -3.104 -7.542 1.00 0.43 H new ATOM 0 HA ALA A 35 3.656 -3.217 -6.607 1.00 0.45 H new ATOM 0 HB1 ALA A 35 2.904 -3.939 -4.418 1.00 0.49 H new ATOM 0 HB2 ALA A 35 2.404 -2.265 -4.753 1.00 0.49 H new ATOM 0 HB3 ALA A 35 1.217 -3.587 -4.862 1.00 0.49 H new ATOM 514 N ARG A 36 3.202 -5.872 -6.346 1.00 0.46 N ATOM 515 CA ARG A 36 3.208 -7.310 -6.634 1.00 0.40 C ATOM 516 C ARG A 36 3.608 -8.050 -5.355 1.00 0.42 C ATOM 517 O ARG A 36 4.096 -7.420 -4.420 1.00 0.53 O ATOM 518 CB ARG A 36 4.172 -7.596 -7.798 1.00 0.59 C ATOM 519 CG ARG A 36 3.516 -8.146 -9.054 1.00 1.16 C ATOM 520 CD ARG A 36 4.601 -8.320 -10.124 1.00 2.19 C ATOM 521 NE ARG A 36 4.254 -9.410 -11.050 1.00 2.68 N ATOM 522 CZ ARG A 36 4.976 -10.499 -11.295 1.00 3.42 C ATOM 523 NH1 ARG A 36 6.138 -10.723 -10.708 1.00 4.00 N ATOM 524 NH2 ARG A 36 4.516 -11.402 -12.137 1.00 4.26 N ATOM 0 H ARG A 36 3.790 -5.632 -5.548 1.00 0.46 H new ATOM 0 HA ARG A 36 2.221 -7.657 -6.941 1.00 0.40 H new ATOM 0 HB2 ARG A 36 4.694 -6.674 -8.053 1.00 0.59 H new ATOM 0 HB3 ARG A 36 4.926 -8.306 -7.459 1.00 0.59 H new ATOM 0 HG2 ARG A 36 3.033 -9.100 -8.844 1.00 1.16 H new ATOM 0 HG3 ARG A 36 2.740 -7.466 -9.406 1.00 1.16 H new ATOM 0 HD2 ARG A 36 4.722 -7.390 -10.679 1.00 2.19 H new ATOM 0 HD3 ARG A 36 5.557 -8.533 -9.647 1.00 2.19 H new ATOM 0 HE ARG A 36 3.372 -9.321 -11.554 1.00 2.68 H new ATOM 0 HH11 ARG A 36 6.511 -10.048 -10.040 1.00 4.00 H new ATOM 0 HH12 ARG A 36 6.663 -11.571 -10.922 1.00 4.00 H new ATOM 0 HH21 ARG A 36 3.615 -11.262 -12.593 1.00 4.26 H new ATOM 0 HH22 ARG A 36 5.061 -12.241 -12.333 1.00 4.26 H new ATOM 538 N THR A 37 3.417 -9.371 -5.297 1.00 0.52 N ATOM 539 CA THR A 37 3.649 -10.204 -4.104 1.00 0.60 C ATOM 540 C THR A 37 3.379 -11.675 -4.421 1.00 0.69 C ATOM 541 O THR A 37 2.565 -11.931 -5.306 1.00 0.75 O ATOM 542 CB THR A 37 2.795 -9.710 -2.925 1.00 0.68 C ATOM 543 OG1 THR A 37 3.005 -10.534 -1.823 1.00 0.80 O ATOM 544 CG2 THR A 37 1.288 -9.663 -3.191 1.00 0.75 C ATOM 0 H THR A 37 3.088 -9.909 -6.098 1.00 0.52 H new ATOM 0 HA THR A 37 4.695 -10.115 -3.810 1.00 0.60 H new ATOM 0 HB THR A 37 3.118 -8.684 -2.752 1.00 0.68 H new ATOM 0 HG1 THR A 37 3.691 -10.139 -1.245 1.00 0.80 H new ATOM 0 HG21 THR A 37 0.773 -9.302 -2.301 1.00 0.75 H new ATOM 0 HG22 THR A 37 1.087 -8.990 -4.025 1.00 0.75 H new ATOM 0 HG23 THR A 37 0.931 -10.663 -3.437 1.00 0.75 H new ATOM 552 N PRO A 38 3.997 -12.637 -3.710 1.00 0.75 N ATOM 553 CA PRO A 38 3.674 -14.056 -3.832 1.00 0.79 C ATOM 554 C PRO A 38 2.475 -14.514 -3.000 1.00 0.73 C ATOM 555 O PRO A 38 2.144 -15.695 -3.021 1.00 0.82 O ATOM 556 CB PRO A 38 4.947 -14.771 -3.406 1.00 0.92 C ATOM 557 CG PRO A 38 5.595 -13.842 -2.388 1.00 0.94 C ATOM 558 CD PRO A 38 5.167 -12.453 -2.856 1.00 0.83 C ATOM 0 HA PRO A 38 3.366 -14.283 -4.852 1.00 0.79 H new ATOM 0 HB2 PRO A 38 4.726 -15.744 -2.968 1.00 0.92 H new ATOM 0 HB3 PRO A 38 5.606 -14.946 -4.257 1.00 0.92 H new ATOM 0 HG2 PRO A 38 5.248 -14.050 -1.376 1.00 0.94 H new ATOM 0 HG3 PRO A 38 6.680 -13.947 -2.381 1.00 0.94 H new ATOM 0 HD2 PRO A 38 4.928 -11.815 -2.005 1.00 0.83 H new ATOM 0 HD3 PRO A 38 5.973 -11.965 -3.404 1.00 0.83 H new ATOM 566 N VAL A 39 1.849 -13.604 -2.251 1.00 0.73 N ATOM 567 CA VAL A 39 0.710 -13.897 -1.366 1.00 0.70 C ATOM 568 C VAL A 39 -0.609 -13.199 -1.732 1.00 0.62 C ATOM 569 O VAL A 39 -1.470 -13.006 -0.874 1.00 0.64 O ATOM 570 CB VAL A 39 1.093 -13.632 0.100 1.00 0.75 C ATOM 571 CG1 VAL A 39 2.347 -14.414 0.523 1.00 0.86 C ATOM 572 CG2 VAL A 39 1.298 -12.140 0.375 1.00 0.74 C ATOM 0 H VAL A 39 2.122 -12.621 -2.240 1.00 0.73 H new ATOM 0 HA VAL A 39 0.499 -14.956 -1.512 1.00 0.70 H new ATOM 0 HB VAL A 39 0.252 -13.984 0.698 1.00 0.75 H new ATOM 0 HG11 VAL A 39 2.578 -14.195 1.565 1.00 0.86 H new ATOM 0 HG12 VAL A 39 2.165 -15.483 0.409 1.00 0.86 H new ATOM 0 HG13 VAL A 39 3.188 -14.120 -0.105 1.00 0.86 H new ATOM 0 HG21 VAL A 39 1.567 -11.997 1.421 1.00 0.74 H new ATOM 0 HG22 VAL A 39 2.097 -11.759 -0.261 1.00 0.74 H new ATOM 0 HG23 VAL A 39 0.376 -11.600 0.160 1.00 0.74 H new ATOM 582 N ALA A 40 -0.797 -12.876 -3.009 1.00 0.63 N ATOM 583 CA ALA A 40 -2.075 -12.452 -3.598 1.00 0.59 C ATOM 584 C ALA A 40 -2.074 -12.693 -5.123 1.00 0.68 C ATOM 585 O ALA A 40 -1.014 -12.759 -5.741 1.00 0.86 O ATOM 586 CB ALA A 40 -2.288 -10.968 -3.277 1.00 0.59 C ATOM 0 H ALA A 40 -0.039 -12.902 -3.691 1.00 0.63 H new ATOM 0 HA ALA A 40 -2.892 -13.037 -3.176 1.00 0.59 H new ATOM 0 HB1 ALA A 40 -3.233 -10.635 -3.707 1.00 0.59 H new ATOM 0 HB2 ALA A 40 -2.312 -10.829 -2.196 1.00 0.59 H new ATOM 0 HB3 ALA A 40 -1.471 -10.383 -3.700 1.00 0.59 H new ATOM 592 N GLU A 41 -3.256 -12.805 -5.728 1.00 0.70 N ATOM 593 CA GLU A 41 -3.486 -12.821 -7.180 1.00 0.82 C ATOM 594 C GLU A 41 -3.454 -11.406 -7.787 1.00 0.77 C ATOM 595 O GLU A 41 -3.211 -11.212 -8.981 1.00 1.16 O ATOM 596 CB GLU A 41 -4.899 -13.401 -7.404 1.00 1.01 C ATOM 597 CG GLU A 41 -5.100 -14.037 -8.779 1.00 1.18 C ATOM 598 CD GLU A 41 -4.479 -15.425 -8.769 1.00 1.58 C ATOM 599 OE1 GLU A 41 -3.279 -15.555 -9.100 1.00 2.89 O ATOM 600 OE2 GLU A 41 -5.115 -16.359 -8.235 1.00 2.30 O ATOM 0 H GLU A 41 -4.123 -12.891 -5.198 1.00 0.70 H new ATOM 0 HA GLU A 41 -2.702 -13.410 -7.656 1.00 0.82 H new ATOM 0 HB2 GLU A 41 -5.099 -14.149 -6.637 1.00 1.01 H new ATOM 0 HB3 GLU A 41 -5.632 -12.605 -7.273 1.00 1.01 H new ATOM 0 HG2 GLU A 41 -6.162 -14.100 -9.015 1.00 1.18 H new ATOM 0 HG3 GLU A 41 -4.638 -13.422 -9.551 1.00 1.18 H new ATOM 607 N ARG A 42 -3.789 -10.414 -6.960 1.00 0.77 N ATOM 608 CA ARG A 42 -4.300 -9.101 -7.315 1.00 0.77 C ATOM 609 C ARG A 42 -3.972 -8.125 -6.180 1.00 0.74 C ATOM 610 O ARG A 42 -3.746 -8.536 -5.042 1.00 1.10 O ATOM 611 CB ARG A 42 -5.814 -9.237 -7.581 1.00 0.94 C ATOM 612 CG ARG A 42 -6.176 -9.738 -8.984 1.00 1.20 C ATOM 613 CD ARG A 42 -5.718 -8.770 -10.083 1.00 2.38 C ATOM 614 NE ARG A 42 -5.928 -9.339 -11.422 1.00 3.07 N ATOM 615 CZ ARG A 42 -5.099 -10.151 -12.071 1.00 4.36 C ATOM 616 NH1 ARG A 42 -3.988 -10.622 -11.549 1.00 5.56 N ATOM 617 NH2 ARG A 42 -5.407 -10.519 -13.293 1.00 5.18 N ATOM 0 H ARG A 42 -3.701 -10.522 -5.950 1.00 0.77 H new ATOM 0 HA ARG A 42 -3.838 -8.706 -8.220 1.00 0.77 H new ATOM 0 HB2 ARG A 42 -6.238 -9.920 -6.845 1.00 0.94 H new ATOM 0 HB3 ARG A 42 -6.285 -8.267 -7.424 1.00 0.94 H new ATOM 0 HG2 ARG A 42 -5.719 -10.714 -9.148 1.00 1.20 H new ATOM 0 HG3 ARG A 42 -7.255 -9.876 -9.051 1.00 1.20 H new ATOM 0 HD2 ARG A 42 -6.266 -7.832 -9.995 1.00 2.38 H new ATOM 0 HD3 ARG A 42 -4.662 -8.536 -9.947 1.00 2.38 H new ATOM 0 HE ARG A 42 -6.793 -9.086 -11.899 1.00 3.07 H new ATOM 0 HH11 ARG A 42 -3.724 -10.367 -10.597 1.00 5.56 H new ATOM 0 HH12 ARG A 42 -3.391 -11.242 -12.096 1.00 5.56 H new ATOM 0 HH21 ARG A 42 -6.267 -10.182 -13.725 1.00 5.18 H new ATOM 0 HH22 ARG A 42 -4.786 -11.141 -13.810 1.00 5.18 H new ATOM 631 N VAL A 43 -3.772 -6.864 -6.527 1.00 0.74 N ATOM 632 CA VAL A 43 -3.021 -5.873 -5.729 1.00 0.65 C ATOM 633 C VAL A 43 -3.323 -4.439 -6.126 1.00 1.02 C ATOM 634 O VAL A 43 -2.482 -3.662 -6.575 1.00 2.22 O ATOM 635 CB VAL A 43 -1.539 -6.224 -5.713 1.00 0.60 C ATOM 636 CG1 VAL A 43 -0.856 -6.233 -7.091 1.00 0.79 C ATOM 637 CG2 VAL A 43 -0.729 -5.429 -4.680 1.00 1.11 C ATOM 0 H VAL A 43 -4.134 -6.476 -7.398 1.00 0.74 H new ATOM 0 HA VAL A 43 -3.368 -5.929 -4.697 1.00 0.65 H new ATOM 0 HB VAL A 43 -1.537 -7.264 -5.386 1.00 0.60 H new ATOM 0 HG11 VAL A 43 0.196 -6.494 -6.974 1.00 0.79 H new ATOM 0 HG12 VAL A 43 -1.343 -6.967 -7.733 1.00 0.79 H new ATOM 0 HG13 VAL A 43 -0.937 -5.245 -7.544 1.00 0.79 H new ATOM 0 HG21 VAL A 43 0.317 -5.732 -4.726 1.00 1.11 H new ATOM 0 HG22 VAL A 43 -0.808 -4.364 -4.897 1.00 1.11 H new ATOM 0 HG23 VAL A 43 -1.120 -5.626 -3.682 1.00 1.11 H new ATOM 647 N GLU A 44 -4.597 -4.126 -6.003 1.00 0.48 N ATOM 648 CA GLU A 44 -5.160 -2.904 -6.578 1.00 0.50 C ATOM 649 C GLU A 44 -5.127 -1.730 -5.592 1.00 0.61 C ATOM 650 O GLU A 44 -5.441 -1.856 -4.404 1.00 1.11 O ATOM 651 CB GLU A 44 -6.548 -3.136 -7.185 1.00 1.14 C ATOM 652 CG GLU A 44 -6.472 -4.005 -8.457 1.00 1.97 C ATOM 653 CD GLU A 44 -6.090 -5.454 -8.149 1.00 3.64 C ATOM 654 OE1 GLU A 44 -6.698 -6.013 -7.215 1.00 3.82 O ATOM 655 OE2 GLU A 44 -5.142 -6.008 -8.763 1.00 5.46 O ATOM 0 H GLU A 44 -5.275 -4.703 -5.506 1.00 0.48 H new ATOM 0 HA GLU A 44 -4.513 -2.618 -7.407 1.00 0.50 H new ATOM 0 HB2 GLU A 44 -7.191 -3.621 -6.450 1.00 1.14 H new ATOM 0 HB3 GLU A 44 -7.006 -2.177 -7.426 1.00 1.14 H new ATOM 0 HG2 GLU A 44 -7.436 -3.986 -8.965 1.00 1.97 H new ATOM 0 HG3 GLU A 44 -5.741 -3.577 -9.143 1.00 1.97 H new ATOM 662 N LEU A 45 -4.700 -0.577 -6.112 1.00 0.47 N ATOM 663 CA LEU A 45 -4.327 0.614 -5.347 1.00 0.47 C ATOM 664 C LEU A 45 -5.547 1.464 -4.968 1.00 0.43 C ATOM 665 O LEU A 45 -6.294 1.943 -5.826 1.00 0.46 O ATOM 666 CB LEU A 45 -3.308 1.404 -6.191 1.00 0.64 C ATOM 667 CG LEU A 45 -2.789 2.698 -5.540 1.00 0.48 C ATOM 668 CD1 LEU A 45 -1.867 2.449 -4.342 1.00 0.66 C ATOM 669 CD2 LEU A 45 -2.037 3.518 -6.594 1.00 0.88 C ATOM 0 H LEU A 45 -4.601 -0.443 -7.118 1.00 0.47 H new ATOM 0 HA LEU A 45 -3.879 0.322 -4.397 1.00 0.47 H new ATOM 0 HB2 LEU A 45 -2.458 0.757 -6.406 1.00 0.64 H new ATOM 0 HB3 LEU A 45 -3.767 1.655 -7.147 1.00 0.64 H new ATOM 0 HG LEU A 45 -3.658 3.237 -5.162 1.00 0.48 H new ATOM 0 HD11 LEU A 45 -1.538 3.404 -3.932 1.00 0.66 H new ATOM 0 HD12 LEU A 45 -2.407 1.892 -3.577 1.00 0.66 H new ATOM 0 HD13 LEU A 45 -0.999 1.874 -4.664 1.00 0.66 H new ATOM 0 HD21 LEU A 45 -1.665 4.438 -6.142 1.00 0.88 H new ATOM 0 HD22 LEU A 45 -1.198 2.937 -6.977 1.00 0.88 H new ATOM 0 HD23 LEU A 45 -2.712 3.764 -7.414 1.00 0.88 H new ATOM 681 N HIS A 46 -5.723 1.696 -3.669 1.00 0.42 N ATOM 682 CA HIS A 46 -6.816 2.467 -3.077 1.00 0.39 C ATOM 683 C HIS A 46 -6.311 3.656 -2.246 1.00 0.38 C ATOM 684 O HIS A 46 -5.264 3.591 -1.597 1.00 0.48 O ATOM 685 CB HIS A 46 -7.648 1.546 -2.168 1.00 0.41 C ATOM 686 CG HIS A 46 -8.340 0.359 -2.791 1.00 0.40 C ATOM 687 ND1 HIS A 46 -8.924 -0.670 -2.069 1.00 0.45 N ATOM 688 CD2 HIS A 46 -8.481 0.061 -4.112 1.00 0.41 C ATOM 689 CE1 HIS A 46 -9.356 -1.578 -2.944 1.00 0.50 C ATOM 690 NE2 HIS A 46 -9.103 -1.169 -4.196 1.00 0.46 N ATOM 0 H HIS A 46 -5.077 1.335 -2.967 1.00 0.42 H new ATOM 0 HA HIS A 46 -7.418 2.863 -3.895 1.00 0.39 H new ATOM 0 HB2 HIS A 46 -6.991 1.173 -1.383 1.00 0.41 H new ATOM 0 HB3 HIS A 46 -8.409 2.157 -1.683 1.00 0.41 H new ATOM 0 HD2 HIS A 46 -8.164 0.675 -4.942 1.00 0.41 H new ATOM 0 HE1 HIS A 46 -9.839 -2.508 -2.683 1.00 0.50 H new ATOM 0 HE2 HIS A 46 -9.329 -1.674 -5.053 1.00 0.46 H new ATOM 698 N GLU A 47 -7.125 4.709 -2.195 1.00 0.35 N ATOM 699 CA GLU A 47 -7.033 5.774 -1.186 1.00 0.39 C ATOM 700 C GLU A 47 -7.872 5.430 0.061 1.00 0.50 C ATOM 701 O GLU A 47 -8.628 4.448 0.062 1.00 0.67 O ATOM 702 CB GLU A 47 -7.440 7.123 -1.804 1.00 0.37 C ATOM 703 CG GLU A 47 -8.954 7.365 -1.845 1.00 0.68 C ATOM 704 CD GLU A 47 -9.366 8.574 -2.688 1.00 0.86 C ATOM 705 OE1 GLU A 47 -8.626 8.961 -3.620 1.00 2.02 O ATOM 706 OE2 GLU A 47 -10.494 9.082 -2.474 1.00 1.73 O ATOM 0 H GLU A 47 -7.882 4.853 -2.864 1.00 0.35 H new ATOM 0 HA GLU A 47 -5.998 5.858 -0.854 1.00 0.39 H new ATOM 0 HB2 GLU A 47 -6.970 7.926 -1.236 1.00 0.37 H new ATOM 0 HB3 GLU A 47 -7.047 7.178 -2.819 1.00 0.37 H new ATOM 0 HG2 GLU A 47 -9.444 6.475 -2.240 1.00 0.68 H new ATOM 0 HG3 GLU A 47 -9.318 7.503 -0.827 1.00 0.68 H new ATOM 713 N THR A 48 -7.791 6.235 1.124 1.00 0.56 N ATOM 714 CA THR A 48 -8.678 6.152 2.292 1.00 0.63 C ATOM 715 C THR A 48 -8.995 7.587 2.701 1.00 0.61 C ATOM 716 O THR A 48 -8.085 8.407 2.784 1.00 0.67 O ATOM 717 CB THR A 48 -7.958 5.360 3.383 1.00 0.81 C ATOM 718 OG1 THR A 48 -7.736 4.084 2.830 1.00 0.91 O ATOM 719 CG2 THR A 48 -8.774 5.199 4.662 1.00 0.98 C ATOM 0 H THR A 48 -7.095 6.977 1.200 1.00 0.56 H new ATOM 0 HA THR A 48 -9.616 5.634 2.090 1.00 0.63 H new ATOM 0 HB THR A 48 -7.049 5.889 3.670 1.00 0.81 H new ATOM 0 HG1 THR A 48 -7.272 3.520 3.484 1.00 0.91 H new ATOM 0 HG21 THR A 48 -8.200 4.627 5.390 1.00 0.98 H new ATOM 0 HG22 THR A 48 -9.004 6.182 5.073 1.00 0.98 H new ATOM 0 HG23 THR A 48 -9.702 4.673 4.438 1.00 0.98 H new ATOM 727 N PHE A 49 -10.277 7.906 2.888 1.00 0.59 N ATOM 728 CA PHE A 49 -10.772 9.282 2.989 1.00 0.57 C ATOM 729 C PHE A 49 -11.759 9.478 4.142 1.00 0.66 C ATOM 730 O PHE A 49 -12.254 8.533 4.754 1.00 0.77 O ATOM 731 CB PHE A 49 -11.394 9.711 1.642 1.00 0.60 C ATOM 732 CG PHE A 49 -12.674 8.998 1.202 1.00 0.68 C ATOM 733 CD1 PHE A 49 -13.887 9.322 1.834 1.00 2.05 C ATOM 734 CD2 PHE A 49 -12.693 8.081 0.128 1.00 1.80 C ATOM 735 CE1 PHE A 49 -15.098 8.740 1.436 1.00 2.23 C ATOM 736 CE2 PHE A 49 -13.908 7.501 -0.284 1.00 1.76 C ATOM 737 CZ PHE A 49 -15.113 7.831 0.365 1.00 1.03 C ATOM 0 H PHE A 49 -11.013 7.205 2.975 1.00 0.59 H new ATOM 0 HA PHE A 49 -9.919 9.922 3.214 1.00 0.57 H new ATOM 0 HB2 PHE A 49 -11.603 10.780 1.692 1.00 0.60 H new ATOM 0 HB3 PHE A 49 -10.644 9.569 0.864 1.00 0.60 H new ATOM 0 HD1 PHE A 49 -13.886 10.036 2.645 1.00 2.05 H new ATOM 0 HD2 PHE A 49 -11.774 7.824 -0.378 1.00 1.80 H new ATOM 0 HE1 PHE A 49 -16.015 8.989 1.950 1.00 2.23 H new ATOM 0 HE2 PHE A 49 -13.916 6.798 -1.104 1.00 1.76 H new ATOM 0 HZ PHE A 49 -16.043 7.388 0.041 1.00 1.03 H new ATOM 747 N MET A 50 -12.138 10.737 4.372 1.00 0.67 N ATOM 748 CA MET A 50 -13.269 11.131 5.206 1.00 0.71 C ATOM 749 C MET A 50 -14.299 11.937 4.394 1.00 0.67 C ATOM 750 O MET A 50 -13.926 12.730 3.535 1.00 0.74 O ATOM 751 CB MET A 50 -12.733 11.895 6.422 1.00 0.92 C ATOM 752 CG MET A 50 -13.902 12.321 7.307 1.00 1.88 C ATOM 753 SD MET A 50 -13.489 12.736 9.019 1.00 2.53 S ATOM 754 CE MET A 50 -12.492 14.221 8.736 1.00 3.34 C ATOM 0 H MET A 50 -11.648 11.535 3.968 1.00 0.67 H new ATOM 0 HA MET A 50 -13.802 10.250 5.564 1.00 0.71 H new ATOM 0 HB2 MET A 50 -12.045 11.266 6.987 1.00 0.92 H new ATOM 0 HB3 MET A 50 -12.171 12.770 6.097 1.00 0.92 H new ATOM 0 HG2 MET A 50 -14.382 13.186 6.850 1.00 1.88 H new ATOM 0 HG3 MET A 50 -14.637 11.516 7.316 1.00 1.88 H new ATOM 0 HE1 MET A 50 -12.149 14.617 9.692 1.00 3.34 H new ATOM 0 HE2 MET A 50 -11.631 13.969 8.118 1.00 3.34 H new ATOM 0 HE3 MET A 50 -13.096 14.973 8.228 1.00 3.34 H new ATOM 764 N ARG A 51 -15.591 11.713 4.657 1.00 0.68 N ATOM 765 CA ARG A 51 -16.719 12.489 4.105 1.00 0.73 C ATOM 766 C ARG A 51 -17.755 12.827 5.188 1.00 0.79 C ATOM 767 O ARG A 51 -17.868 12.114 6.188 1.00 0.81 O ATOM 768 CB ARG A 51 -17.425 11.749 2.950 1.00 0.84 C ATOM 769 CG ARG A 51 -16.665 11.880 1.616 1.00 1.83 C ATOM 770 CD ARG A 51 -17.466 11.414 0.389 1.00 2.30 C ATOM 771 NE ARG A 51 -18.081 10.082 0.555 1.00 2.89 N ATOM 772 CZ ARG A 51 -18.748 9.404 -0.373 1.00 3.99 C ATOM 773 NH1 ARG A 51 -18.842 9.828 -1.619 1.00 4.40 N ATOM 774 NH2 ARG A 51 -19.335 8.267 -0.058 1.00 5.43 N ATOM 0 H ARG A 51 -15.895 10.964 5.279 1.00 0.68 H new ATOM 0 HA ARG A 51 -16.287 13.411 3.717 1.00 0.73 H new ATOM 0 HB2 ARG A 51 -17.525 10.694 3.206 1.00 0.84 H new ATOM 0 HB3 ARG A 51 -18.433 12.145 2.831 1.00 0.84 H new ATOM 0 HG2 ARG A 51 -16.378 12.922 1.475 1.00 1.83 H new ATOM 0 HG3 ARG A 51 -15.744 11.301 1.677 1.00 1.83 H new ATOM 0 HD2 ARG A 51 -18.249 12.143 0.179 1.00 2.30 H new ATOM 0 HD3 ARG A 51 -16.807 11.395 -0.479 1.00 2.30 H new ATOM 0 HE ARG A 51 -17.985 9.640 1.469 1.00 2.89 H new ATOM 0 HH11 ARG A 51 -18.394 10.702 -1.895 1.00 4.40 H new ATOM 0 HH12 ARG A 51 -19.362 9.282 -2.306 1.00 4.40 H new ATOM 0 HH21 ARG A 51 -19.277 7.910 0.896 1.00 5.43 H new ATOM 0 HH22 ARG A 51 -19.848 7.744 -0.768 1.00 5.43 H new ATOM 788 N GLU A 52 -18.546 13.871 4.962 1.00 0.92 N ATOM 789 CA GLU A 52 -19.756 14.179 5.696 1.00 1.03 C ATOM 790 C GLU A 52 -20.982 13.656 4.930 1.00 1.14 C ATOM 791 O GLU A 52 -21.007 13.731 3.701 1.00 1.28 O ATOM 792 CB GLU A 52 -19.799 15.707 5.793 1.00 1.30 C ATOM 793 CG GLU A 52 -20.903 16.252 6.687 1.00 1.34 C ATOM 794 CD GLU A 52 -20.552 16.165 8.171 1.00 1.55 C ATOM 795 OE1 GLU A 52 -19.967 15.139 8.562 1.00 2.30 O ATOM 796 OE2 GLU A 52 -20.904 17.098 8.913 1.00 2.37 O ATOM 0 H GLU A 52 -18.347 14.552 4.229 1.00 0.92 H new ATOM 0 HA GLU A 52 -19.766 13.714 6.682 1.00 1.03 H new ATOM 0 HB2 GLU A 52 -18.838 16.062 6.166 1.00 1.30 H new ATOM 0 HB3 GLU A 52 -19.924 16.119 4.791 1.00 1.30 H new ATOM 0 HG2 GLU A 52 -21.099 17.291 6.424 1.00 1.34 H new ATOM 0 HG3 GLU A 52 -21.823 15.697 6.502 1.00 1.34 H new ATOM 803 N VAL A 53 -22.000 13.176 5.650 1.00 1.23 N ATOM 804 CA VAL A 53 -23.372 12.957 5.156 1.00 1.51 C ATOM 805 C VAL A 53 -24.356 13.316 6.273 1.00 1.64 C ATOM 806 O VAL A 53 -24.136 12.896 7.399 1.00 2.09 O ATOM 807 CB VAL A 53 -23.617 11.500 4.685 1.00 1.62 C ATOM 808 CG1 VAL A 53 -22.977 11.227 3.313 1.00 2.32 C ATOM 809 CG2 VAL A 53 -23.141 10.413 5.672 1.00 2.77 C ATOM 0 H VAL A 53 -21.892 12.918 6.631 1.00 1.23 H new ATOM 0 HA VAL A 53 -23.521 13.595 4.285 1.00 1.51 H new ATOM 0 HB VAL A 53 -24.703 11.429 4.622 1.00 1.62 H new ATOM 0 HG11 VAL A 53 -23.172 10.195 3.019 1.00 2.32 H new ATOM 0 HG12 VAL A 53 -23.404 11.902 2.571 1.00 2.32 H new ATOM 0 HG13 VAL A 53 -21.901 11.390 3.375 1.00 2.32 H new ATOM 0 HG21 VAL A 53 -23.354 9.427 5.258 1.00 2.77 H new ATOM 0 HG22 VAL A 53 -22.068 10.514 5.835 1.00 2.77 H new ATOM 0 HG23 VAL A 53 -23.665 10.529 6.621 1.00 2.77 H new ATOM 819 N GLU A 54 -25.385 14.129 5.996 1.00 1.69 N ATOM 820 CA GLU A 54 -26.422 14.603 6.943 1.00 1.87 C ATOM 821 C GLU A 54 -25.932 15.462 8.135 1.00 1.81 C ATOM 822 O GLU A 54 -26.668 15.656 9.105 1.00 1.98 O ATOM 823 CB GLU A 54 -27.237 13.465 7.579 1.00 2.06 C ATOM 824 CG GLU A 54 -27.705 12.225 6.821 1.00 2.24 C ATOM 825 CD GLU A 54 -28.205 11.291 7.924 1.00 2.80 C ATOM 826 OE1 GLU A 54 -29.229 11.635 8.555 1.00 3.41 O ATOM 827 OE2 GLU A 54 -27.427 10.435 8.397 1.00 3.54 O ATOM 0 H GLU A 54 -25.530 14.498 5.056 1.00 1.69 H new ATOM 0 HA GLU A 54 -27.019 15.224 6.275 1.00 1.87 H new ATOM 0 HB2 GLU A 54 -26.648 13.103 8.422 1.00 2.06 H new ATOM 0 HB3 GLU A 54 -28.134 13.926 7.992 1.00 2.06 H new ATOM 0 HG2 GLU A 54 -28.496 12.465 6.111 1.00 2.24 H new ATOM 0 HG3 GLU A 54 -26.892 11.773 6.252 1.00 2.24 H new ATOM 834 N GLY A 55 -24.679 15.913 8.126 1.00 1.70 N ATOM 835 CA GLY A 55 -24.025 16.453 9.333 1.00 1.74 C ATOM 836 C GLY A 55 -23.392 15.371 10.225 1.00 1.51 C ATOM 837 O GLY A 55 -23.302 15.531 11.442 1.00 1.65 O ATOM 0 H GLY A 55 -24.087 15.918 7.295 1.00 1.70 H new ATOM 0 HA2 GLY A 55 -23.253 17.162 9.032 1.00 1.74 H new ATOM 0 HA3 GLY A 55 -24.759 17.009 9.916 1.00 1.74 H new ATOM 841 N LYS A 56 -23.021 14.226 9.641 1.00 1.32 N ATOM 842 CA LYS A 56 -22.353 13.095 10.301 1.00 1.23 C ATOM 843 C LYS A 56 -21.077 12.725 9.519 1.00 1.11 C ATOM 844 O LYS A 56 -21.141 12.320 8.349 1.00 1.07 O ATOM 845 CB LYS A 56 -23.253 11.841 10.456 1.00 1.32 C ATOM 846 CG LYS A 56 -24.774 12.025 10.423 1.00 1.37 C ATOM 847 CD LYS A 56 -25.491 12.561 11.667 1.00 2.13 C ATOM 848 CE LYS A 56 -26.950 12.903 11.297 1.00 2.49 C ATOM 849 NZ LYS A 56 -27.719 11.729 10.802 1.00 2.44 N ATOM 0 H LYS A 56 -23.185 14.053 8.649 1.00 1.32 H new ATOM 0 HA LYS A 56 -22.109 13.424 11.311 1.00 1.23 H new ATOM 0 HB2 LYS A 56 -22.986 11.141 9.664 1.00 1.32 H new ATOM 0 HB3 LYS A 56 -22.997 11.364 11.402 1.00 1.32 H new ATOM 0 HG2 LYS A 56 -25.005 12.697 9.597 1.00 1.37 H new ATOM 0 HG3 LYS A 56 -25.216 11.058 10.181 1.00 1.37 H new ATOM 0 HD2 LYS A 56 -25.469 11.818 12.464 1.00 2.13 H new ATOM 0 HD3 LYS A 56 -24.980 13.447 12.043 1.00 2.13 H new ATOM 0 HE2 LYS A 56 -27.453 13.316 12.171 1.00 2.49 H new ATOM 0 HE3 LYS A 56 -26.952 13.679 10.532 1.00 2.49 H new ATOM 0 HZ1 LYS A 56 -28.546 12.058 10.264 1.00 2.44 H new ATOM 0 HZ2 LYS A 56 -27.112 11.151 10.186 1.00 2.44 H new ATOM 0 HZ3 LYS A 56 -28.037 11.157 11.610 1.00 2.44 H new ATOM 863 N LYS A 57 -19.914 12.798 10.177 1.00 1.18 N ATOM 864 CA LYS A 57 -18.611 12.570 9.547 1.00 1.09 C ATOM 865 C LYS A 57 -18.240 11.079 9.595 1.00 1.16 C ATOM 866 O LYS A 57 -18.100 10.499 10.678 1.00 1.49 O ATOM 867 CB LYS A 57 -17.551 13.533 10.137 1.00 1.28 C ATOM 868 CG LYS A 57 -17.181 13.319 11.615 1.00 2.19 C ATOM 869 CD LYS A 57 -15.924 12.442 11.773 1.00 3.95 C ATOM 870 CE LYS A 57 -15.867 11.696 13.114 1.00 5.73 C ATOM 871 NZ LYS A 57 -16.995 10.740 13.251 1.00 7.08 N ATOM 0 H LYS A 57 -19.852 13.019 11.171 1.00 1.18 H new ATOM 0 HA LYS A 57 -18.657 12.813 8.485 1.00 1.09 H new ATOM 0 HB2 LYS A 57 -16.642 13.447 9.541 1.00 1.28 H new ATOM 0 HB3 LYS A 57 -17.914 14.554 10.020 1.00 1.28 H new ATOM 0 HG2 LYS A 57 -17.011 14.285 12.090 1.00 2.19 H new ATOM 0 HG3 LYS A 57 -18.017 12.851 12.134 1.00 2.19 H new ATOM 0 HD2 LYS A 57 -15.891 11.717 10.960 1.00 3.95 H new ATOM 0 HD3 LYS A 57 -15.038 13.069 11.676 1.00 3.95 H new ATOM 0 HE2 LYS A 57 -14.922 11.159 13.194 1.00 5.73 H new ATOM 0 HE3 LYS A 57 -15.896 12.414 13.933 1.00 5.73 H new ATOM 0 HZ1 LYS A 57 -17.683 11.111 13.937 1.00 7.08 H new ATOM 0 HZ2 LYS A 57 -17.459 10.616 12.328 1.00 7.08 H new ATOM 0 HZ3 LYS A 57 -16.634 9.823 13.584 1.00 7.08 H new ATOM 885 N VAL A 58 -18.069 10.465 8.429 1.00 0.96 N ATOM 886 CA VAL A 58 -17.861 9.019 8.233 1.00 1.05 C ATOM 887 C VAL A 58 -16.746 8.797 7.203 1.00 0.95 C ATOM 888 O VAL A 58 -16.637 9.530 6.221 1.00 1.03 O ATOM 889 CB VAL A 58 -19.172 8.320 7.781 1.00 1.15 C ATOM 890 CG1 VAL A 58 -18.995 6.796 7.668 1.00 2.22 C ATOM 891 CG2 VAL A 58 -20.327 8.584 8.766 1.00 2.33 C ATOM 0 H VAL A 58 -18.070 10.979 7.548 1.00 0.96 H new ATOM 0 HA VAL A 58 -17.565 8.576 9.184 1.00 1.05 H new ATOM 0 HB VAL A 58 -19.411 8.741 6.804 1.00 1.15 H new ATOM 0 HG11 VAL A 58 -19.934 6.343 7.349 1.00 2.22 H new ATOM 0 HG12 VAL A 58 -18.218 6.573 6.937 1.00 2.22 H new ATOM 0 HG13 VAL A 58 -18.707 6.390 8.638 1.00 2.22 H new ATOM 0 HG21 VAL A 58 -21.227 8.079 8.415 1.00 2.33 H new ATOM 0 HG22 VAL A 58 -20.058 8.204 9.752 1.00 2.33 H new ATOM 0 HG23 VAL A 58 -20.514 9.656 8.829 1.00 2.33 H new ATOM 901 N MET A 59 -15.883 7.810 7.445 1.00 1.06 N ATOM 902 CA MET A 59 -14.756 7.483 6.557 1.00 0.97 C ATOM 903 C MET A 59 -15.135 6.575 5.382 1.00 0.97 C ATOM 904 O MET A 59 -16.236 6.037 5.316 1.00 1.04 O ATOM 905 CB MET A 59 -13.576 6.918 7.352 1.00 1.05 C ATOM 906 CG MET A 59 -13.026 7.998 8.295 1.00 1.10 C ATOM 907 SD MET A 59 -11.435 7.609 9.073 1.00 2.46 S ATOM 908 CE MET A 59 -11.819 6.032 9.872 1.00 3.25 C ATOM 0 H MET A 59 -15.943 7.208 8.267 1.00 1.06 H new ATOM 0 HA MET A 59 -14.447 8.425 6.103 1.00 0.97 H new ATOM 0 HB2 MET A 59 -13.894 6.048 7.926 1.00 1.05 H new ATOM 0 HB3 MET A 59 -12.793 6.582 6.672 1.00 1.05 H new ATOM 0 HG2 MET A 59 -12.920 8.927 7.735 1.00 1.10 H new ATOM 0 HG3 MET A 59 -13.760 8.181 9.079 1.00 1.10 H new ATOM 0 HE1 MET A 59 -10.958 5.699 10.452 1.00 3.25 H new ATOM 0 HE2 MET A 59 -12.676 6.159 10.534 1.00 3.25 H new ATOM 0 HE3 MET A 59 -12.054 5.287 9.112 1.00 3.25 H new ATOM 918 N GLY A 60 -14.218 6.469 4.422 1.00 0.91 N ATOM 919 CA GLY A 60 -14.380 5.709 3.194 1.00 0.89 C ATOM 920 C GLY A 60 -13.057 5.330 2.541 1.00 0.76 C ATOM 921 O GLY A 60 -11.977 5.587 3.064 1.00 0.78 O ATOM 0 H GLY A 60 -13.310 6.929 4.485 1.00 0.91 H new ATOM 0 HA2 GLY A 60 -14.945 4.802 3.408 1.00 0.89 H new ATOM 0 HA3 GLY A 60 -14.971 6.293 2.489 1.00 0.89 H new ATOM 925 N MET A 61 -13.157 4.697 1.377 1.00 0.69 N ATOM 926 CA MET A 61 -12.059 4.172 0.570 1.00 0.56 C ATOM 927 C MET A 61 -12.545 4.093 -0.880 1.00 0.53 C ATOM 928 O MET A 61 -13.734 3.887 -1.121 1.00 0.67 O ATOM 929 CB MET A 61 -11.694 2.796 1.149 1.00 0.60 C ATOM 930 CG MET A 61 -10.802 1.908 0.274 1.00 0.59 C ATOM 931 SD MET A 61 -10.819 0.120 0.645 1.00 0.49 S ATOM 932 CE MET A 61 -11.079 0.074 2.435 1.00 1.12 C ATOM 0 H MET A 61 -14.064 4.526 0.944 1.00 0.69 H new ATOM 0 HA MET A 61 -11.169 4.801 0.589 1.00 0.56 H new ATOM 0 HB2 MET A 61 -11.193 2.949 2.105 1.00 0.60 H new ATOM 0 HB3 MET A 61 -12.618 2.256 1.356 1.00 0.60 H new ATOM 0 HG2 MET A 61 -11.100 2.044 -0.766 1.00 0.59 H new ATOM 0 HG3 MET A 61 -9.776 2.265 0.360 1.00 0.59 H new ATOM 0 HE1 MET A 61 -10.930 -0.943 2.798 1.00 1.12 H new ATOM 0 HE2 MET A 61 -10.369 0.741 2.923 1.00 1.12 H new ATOM 0 HE3 MET A 61 -12.095 0.396 2.663 1.00 1.12 H new ATOM 942 N ARG A 62 -11.641 4.240 -1.849 1.00 0.43 N ATOM 943 CA ARG A 62 -11.923 4.076 -3.283 1.00 0.45 C ATOM 944 C ARG A 62 -10.629 3.772 -4.055 1.00 0.38 C ATOM 945 O ARG A 62 -9.552 4.074 -3.532 1.00 0.35 O ATOM 946 CB ARG A 62 -12.648 5.324 -3.830 1.00 0.63 C ATOM 947 CG ARG A 62 -11.810 6.597 -3.715 1.00 1.45 C ATOM 948 CD ARG A 62 -12.362 7.756 -4.552 1.00 1.78 C ATOM 949 NE ARG A 62 -11.473 8.039 -5.694 1.00 2.92 N ATOM 950 CZ ARG A 62 -10.767 9.152 -5.881 1.00 3.80 C ATOM 951 NH1 ARG A 62 -10.768 10.144 -5.019 1.00 4.40 N ATOM 952 NH2 ARG A 62 -10.018 9.268 -6.956 1.00 5.00 N ATOM 0 H ARG A 62 -10.669 4.482 -1.658 1.00 0.43 H new ATOM 0 HA ARG A 62 -12.588 3.224 -3.423 1.00 0.45 H new ATOM 0 HB2 ARG A 62 -12.906 5.159 -4.876 1.00 0.63 H new ATOM 0 HB3 ARG A 62 -13.584 5.461 -3.288 1.00 0.63 H new ATOM 0 HG2 ARG A 62 -11.764 6.901 -2.669 1.00 1.45 H new ATOM 0 HG3 ARG A 62 -10.789 6.383 -4.030 1.00 1.45 H new ATOM 0 HD2 ARG A 62 -13.360 7.508 -4.913 1.00 1.78 H new ATOM 0 HD3 ARG A 62 -12.460 8.646 -3.931 1.00 1.78 H new ATOM 0 HE ARG A 62 -11.391 7.314 -6.407 1.00 2.92 H new ATOM 0 HH11 ARG A 62 -11.325 10.079 -4.167 1.00 4.40 H new ATOM 0 HH12 ARG A 62 -10.212 10.979 -5.202 1.00 4.40 H new ATOM 0 HH21 ARG A 62 -9.982 8.509 -7.637 1.00 5.00 H new ATOM 0 HH22 ARG A 62 -9.473 10.117 -7.109 1.00 5.00 H new ATOM 966 N PRO A 63 -10.689 3.171 -5.259 1.00 0.42 N ATOM 967 CA PRO A 63 -9.497 2.900 -6.050 1.00 0.43 C ATOM 968 C PRO A 63 -8.951 4.166 -6.711 1.00 0.41 C ATOM 969 O PRO A 63 -9.694 5.116 -6.962 1.00 0.42 O ATOM 970 CB PRO A 63 -9.907 1.841 -7.068 1.00 0.49 C ATOM 971 CG PRO A 63 -11.381 2.166 -7.309 1.00 0.54 C ATOM 972 CD PRO A 63 -11.862 2.615 -5.926 1.00 0.50 C ATOM 0 HA PRO A 63 -8.678 2.542 -5.426 1.00 0.43 H new ATOM 0 HB2 PRO A 63 -9.321 1.911 -7.984 1.00 0.49 H new ATOM 0 HB3 PRO A 63 -9.772 0.831 -6.680 1.00 0.49 H new ATOM 0 HG2 PRO A 63 -11.505 2.951 -8.055 1.00 0.54 H new ATOM 0 HG3 PRO A 63 -11.933 1.297 -7.667 1.00 0.54 H new ATOM 0 HD2 PRO A 63 -12.654 3.359 -6.010 1.00 0.50 H new ATOM 0 HD3 PRO A 63 -12.271 1.776 -5.363 1.00 0.50 H new ATOM 980 N VAL A 64 -7.643 4.144 -6.999 1.00 0.42 N ATOM 981 CA VAL A 64 -6.890 5.239 -7.641 1.00 0.40 C ATOM 982 C VAL A 64 -5.832 4.654 -8.600 1.00 0.43 C ATOM 983 O VAL A 64 -5.413 3.516 -8.391 1.00 0.45 O ATOM 984 CB VAL A 64 -6.233 6.190 -6.605 1.00 0.40 C ATOM 985 CG1 VAL A 64 -7.284 6.954 -5.793 1.00 0.50 C ATOM 986 CG2 VAL A 64 -5.255 5.485 -5.656 1.00 0.54 C ATOM 0 H VAL A 64 -7.056 3.337 -6.786 1.00 0.42 H new ATOM 0 HA VAL A 64 -7.599 5.841 -8.210 1.00 0.40 H new ATOM 0 HB VAL A 64 -5.652 6.897 -7.198 1.00 0.40 H new ATOM 0 HG11 VAL A 64 -6.786 7.609 -5.078 1.00 0.50 H new ATOM 0 HG12 VAL A 64 -7.900 7.551 -6.465 1.00 0.50 H new ATOM 0 HG13 VAL A 64 -7.915 6.245 -5.257 1.00 0.50 H new ATOM 0 HG21 VAL A 64 -4.835 6.212 -4.961 1.00 0.54 H new ATOM 0 HG22 VAL A 64 -5.783 4.712 -5.098 1.00 0.54 H new ATOM 0 HG23 VAL A 64 -4.451 5.030 -6.234 1.00 0.54 H new ATOM 996 N PRO A 65 -5.424 5.375 -9.668 1.00 0.48 N ATOM 997 CA PRO A 65 -4.668 4.799 -10.783 1.00 0.56 C ATOM 998 C PRO A 65 -3.159 4.727 -10.527 1.00 0.52 C ATOM 999 O PRO A 65 -2.486 3.915 -11.154 1.00 0.53 O ATOM 1000 CB PRO A 65 -4.998 5.698 -11.976 1.00 0.68 C ATOM 1001 CG PRO A 65 -5.181 7.073 -11.339 1.00 0.66 C ATOM 1002 CD PRO A 65 -5.801 6.748 -9.983 1.00 0.53 C ATOM 0 HA PRO A 65 -4.950 3.759 -10.948 1.00 0.56 H new ATOM 0 HB2 PRO A 65 -4.195 5.700 -12.713 1.00 0.68 H new ATOM 0 HB3 PRO A 65 -5.901 5.369 -12.490 1.00 0.68 H new ATOM 0 HG2 PRO A 65 -4.231 7.597 -11.233 1.00 0.66 H new ATOM 0 HG3 PRO A 65 -5.832 7.711 -11.937 1.00 0.66 H new ATOM 0 HD2 PRO A 65 -5.439 7.434 -9.217 1.00 0.53 H new ATOM 0 HD3 PRO A 65 -6.885 6.853 -10.018 1.00 0.53 H new ATOM 1010 N PHE A 66 -2.634 5.568 -9.630 1.00 0.47 N ATOM 1011 CA PHE A 66 -1.220 5.664 -9.242 1.00 0.44 C ATOM 1012 C PHE A 66 -1.033 6.703 -8.132 1.00 0.44 C ATOM 1013 O PHE A 66 -1.910 7.537 -7.891 1.00 0.51 O ATOM 1014 CB PHE A 66 -0.316 6.023 -10.438 1.00 0.48 C ATOM 1015 CG PHE A 66 -0.609 7.384 -11.027 1.00 0.56 C ATOM 1016 CD1 PHE A 66 0.041 8.522 -10.520 1.00 1.44 C ATOM 1017 CD2 PHE A 66 -1.582 7.522 -12.032 1.00 1.94 C ATOM 1018 CE1 PHE A 66 -0.325 9.801 -10.963 1.00 1.42 C ATOM 1019 CE2 PHE A 66 -1.920 8.801 -12.512 1.00 2.02 C ATOM 1020 CZ PHE A 66 -1.300 9.942 -11.967 1.00 0.72 C ATOM 0 H PHE A 66 -3.215 6.238 -9.126 1.00 0.47 H new ATOM 0 HA PHE A 66 -0.925 4.681 -8.876 1.00 0.44 H new ATOM 0 HB2 PHE A 66 0.726 5.990 -10.119 1.00 0.48 H new ATOM 0 HB3 PHE A 66 -0.435 5.267 -11.214 1.00 0.48 H new ATOM 0 HD1 PHE A 66 0.826 8.411 -9.786 1.00 1.44 H new ATOM 0 HD2 PHE A 66 -2.070 6.647 -12.436 1.00 1.94 H new ATOM 0 HE1 PHE A 66 0.141 10.676 -10.534 1.00 1.42 H new ATOM 0 HE2 PHE A 66 -2.654 8.907 -13.297 1.00 2.02 H new ATOM 0 HZ PHE A 66 -1.573 10.925 -12.320 1.00 0.72 H new ATOM 1030 N LEU A 67 0.147 6.691 -7.510 1.00 0.43 N ATOM 1031 CA LEU A 67 0.649 7.776 -6.665 1.00 0.50 C ATOM 1032 C LEU A 67 1.825 8.473 -7.350 1.00 0.56 C ATOM 1033 O LEU A 67 2.522 7.865 -8.161 1.00 0.55 O ATOM 1034 CB LEU A 67 1.093 7.239 -5.291 1.00 0.51 C ATOM 1035 CG LEU A 67 0.111 6.299 -4.567 1.00 0.48 C ATOM 1036 CD1 LEU A 67 0.708 5.954 -3.201 1.00 0.53 C ATOM 1037 CD2 LEU A 67 -1.290 6.893 -4.367 1.00 0.53 C ATOM 0 H LEU A 67 0.796 5.907 -7.582 1.00 0.43 H new ATOM 0 HA LEU A 67 -0.159 8.492 -6.514 1.00 0.50 H new ATOM 0 HB2 LEU A 67 2.037 6.710 -5.421 1.00 0.51 H new ATOM 0 HB3 LEU A 67 1.291 8.091 -4.640 1.00 0.51 H new ATOM 0 HG LEU A 67 -0.020 5.419 -5.197 1.00 0.48 H new ATOM 0 HD11 LEU A 67 0.031 5.288 -2.666 1.00 0.53 H new ATOM 0 HD12 LEU A 67 1.670 5.460 -3.339 1.00 0.53 H new ATOM 0 HD13 LEU A 67 0.849 6.868 -2.624 1.00 0.53 H new ATOM 0 HD21 LEU A 67 -1.921 6.170 -3.850 1.00 0.53 H new ATOM 0 HD22 LEU A 67 -1.218 7.803 -3.771 1.00 0.53 H new ATOM 0 HD23 LEU A 67 -1.727 7.129 -5.337 1.00 0.53 H new ATOM 1049 N GLU A 68 2.039 9.739 -7.004 1.00 0.68 N ATOM 1050 CA GLU A 68 3.114 10.587 -7.529 1.00 0.85 C ATOM 1051 C GLU A 68 3.901 11.190 -6.372 1.00 1.07 C ATOM 1052 O GLU A 68 3.308 11.655 -5.397 1.00 1.29 O ATOM 1053 CB GLU A 68 2.530 11.729 -8.385 1.00 1.08 C ATOM 1054 CG GLU A 68 3.575 12.713 -8.951 1.00 1.20 C ATOM 1055 CD GLU A 68 4.321 12.130 -10.149 1.00 0.85 C ATOM 1056 OE1 GLU A 68 4.920 11.043 -10.021 1.00 1.74 O ATOM 1057 OE2 GLU A 68 4.215 12.685 -11.265 1.00 1.68 O ATOM 0 H GLU A 68 1.450 10.223 -6.327 1.00 0.68 H new ATOM 0 HA GLU A 68 3.769 9.973 -8.147 1.00 0.85 H new ATOM 0 HB2 GLU A 68 1.974 11.294 -9.216 1.00 1.08 H new ATOM 0 HB3 GLU A 68 1.815 12.288 -7.781 1.00 1.08 H new ATOM 0 HG2 GLU A 68 3.079 13.637 -9.248 1.00 1.20 H new ATOM 0 HG3 GLU A 68 4.290 12.971 -8.170 1.00 1.20 H new ATOM 1064 N VAL A 69 5.227 11.219 -6.503 1.00 1.08 N ATOM 1065 CA VAL A 69 6.131 11.852 -5.541 1.00 1.24 C ATOM 1066 C VAL A 69 7.314 12.518 -6.265 1.00 1.19 C ATOM 1067 O VAL A 69 7.887 11.912 -7.172 1.00 1.15 O ATOM 1068 CB VAL A 69 6.664 10.820 -4.514 1.00 1.31 C ATOM 1069 CG1 VAL A 69 7.415 11.488 -3.348 1.00 1.52 C ATOM 1070 CG2 VAL A 69 5.549 9.950 -3.902 1.00 1.38 C ATOM 0 H VAL A 69 5.712 10.796 -7.294 1.00 1.08 H new ATOM 0 HA VAL A 69 5.563 12.614 -5.008 1.00 1.24 H new ATOM 0 HB VAL A 69 7.343 10.193 -5.091 1.00 1.31 H new ATOM 0 HG11 VAL A 69 7.768 10.723 -2.657 1.00 1.52 H new ATOM 0 HG12 VAL A 69 8.266 12.047 -3.736 1.00 1.52 H new ATOM 0 HG13 VAL A 69 6.743 12.168 -2.824 1.00 1.52 H new ATOM 0 HG21 VAL A 69 5.984 9.248 -3.191 1.00 1.38 H new ATOM 0 HG22 VAL A 69 4.830 10.588 -3.388 1.00 1.38 H new ATOM 0 HG23 VAL A 69 5.042 9.398 -4.694 1.00 1.38 H new ATOM 1080 N PRO A 70 7.719 13.743 -5.879 1.00 1.24 N ATOM 1081 CA PRO A 70 8.880 14.412 -6.461 1.00 1.22 C ATOM 1082 C PRO A 70 10.207 13.727 -6.073 1.00 1.19 C ATOM 1083 O PRO A 70 10.232 12.871 -5.183 1.00 1.24 O ATOM 1084 CB PRO A 70 8.805 15.857 -5.944 1.00 1.29 C ATOM 1085 CG PRO A 70 8.093 15.719 -4.603 1.00 1.36 C ATOM 1086 CD PRO A 70 7.090 14.604 -4.886 1.00 1.39 C ATOM 0 HA PRO A 70 8.862 14.369 -7.550 1.00 1.22 H new ATOM 0 HB2 PRO A 70 9.797 16.294 -5.829 1.00 1.29 H new ATOM 0 HB3 PRO A 70 8.251 16.500 -6.628 1.00 1.29 H new ATOM 0 HG2 PRO A 70 8.782 15.453 -3.801 1.00 1.36 H new ATOM 0 HG3 PRO A 70 7.600 16.645 -4.306 1.00 1.36 H new ATOM 0 HD2 PRO A 70 6.858 14.048 -3.978 1.00 1.39 H new ATOM 0 HD3 PRO A 70 6.150 15.010 -5.260 1.00 1.39 H new ATOM 1094 N PRO A 71 11.331 14.123 -6.699 1.00 1.16 N ATOM 1095 CA PRO A 71 12.667 13.862 -6.173 1.00 1.10 C ATOM 1096 C PRO A 71 12.831 14.473 -4.782 1.00 1.38 C ATOM 1097 O PRO A 71 12.264 15.528 -4.500 1.00 1.65 O ATOM 1098 CB PRO A 71 13.631 14.458 -7.195 1.00 1.08 C ATOM 1099 CG PRO A 71 12.816 15.505 -7.944 1.00 1.18 C ATOM 1100 CD PRO A 71 11.400 14.955 -7.893 1.00 1.20 C ATOM 0 HA PRO A 71 12.861 12.797 -6.041 1.00 1.10 H new ATOM 0 HB2 PRO A 71 14.496 14.907 -6.706 1.00 1.08 H new ATOM 0 HB3 PRO A 71 14.009 13.693 -7.873 1.00 1.08 H new ATOM 0 HG2 PRO A 71 12.884 16.483 -7.468 1.00 1.18 H new ATOM 0 HG3 PRO A 71 13.163 15.625 -8.970 1.00 1.18 H new ATOM 0 HD2 PRO A 71 10.670 15.763 -7.847 1.00 1.20 H new ATOM 0 HD3 PRO A 71 11.176 14.373 -8.787 1.00 1.20 H new ATOM 1108 N LYS A 72 13.573 13.789 -3.895 1.00 1.44 N ATOM 1109 CA LYS A 72 13.830 14.198 -2.495 1.00 1.85 C ATOM 1110 C LYS A 72 12.576 14.165 -1.584 1.00 2.00 C ATOM 1111 O LYS A 72 12.660 14.456 -0.393 1.00 2.37 O ATOM 1112 CB LYS A 72 14.559 15.557 -2.455 1.00 2.17 C ATOM 1113 CG LYS A 72 15.760 15.666 -3.412 1.00 2.25 C ATOM 1114 CD LYS A 72 16.944 14.754 -3.044 1.00 2.08 C ATOM 1115 CE LYS A 72 18.114 14.955 -4.021 1.00 2.19 C ATOM 1116 NZ LYS A 72 18.011 14.082 -5.212 1.00 2.53 N ATOM 0 H LYS A 72 14.027 12.908 -4.136 1.00 1.44 H new ATOM 0 HA LYS A 72 14.489 13.443 -2.066 1.00 1.85 H new ATOM 0 HB2 LYS A 72 13.846 16.345 -2.697 1.00 2.17 H new ATOM 0 HB3 LYS A 72 14.904 15.740 -1.437 1.00 2.17 H new ATOM 0 HG2 LYS A 72 15.429 15.423 -4.422 1.00 2.25 H new ATOM 0 HG3 LYS A 72 16.104 16.700 -3.429 1.00 2.25 H new ATOM 0 HD2 LYS A 72 17.272 14.970 -2.027 1.00 2.08 H new ATOM 0 HD3 LYS A 72 16.625 13.712 -3.061 1.00 2.08 H new ATOM 0 HE2 LYS A 72 18.143 15.997 -4.339 1.00 2.19 H new ATOM 0 HE3 LYS A 72 19.053 14.753 -3.506 1.00 2.19 H new ATOM 0 HZ1 LYS A 72 18.624 14.451 -5.967 1.00 2.53 H new ATOM 0 HZ2 LYS A 72 18.311 13.118 -4.963 1.00 2.53 H new ATOM 0 HZ3 LYS A 72 17.026 14.063 -5.544 1.00 2.53 H new ATOM 1130 N GLY A 73 11.418 13.779 -2.134 1.00 1.81 N ATOM 1131 CA GLY A 73 10.157 13.546 -1.410 1.00 1.90 C ATOM 1132 C GLY A 73 10.067 12.156 -0.761 1.00 1.61 C ATOM 1133 O GLY A 73 10.789 11.233 -1.142 1.00 1.38 O ATOM 0 H GLY A 73 11.328 13.613 -3.136 1.00 1.81 H new ATOM 0 HA2 GLY A 73 10.046 14.306 -0.637 1.00 1.90 H new ATOM 0 HA3 GLY A 73 9.323 13.670 -2.101 1.00 1.90 H new ATOM 1137 N ARG A 74 9.138 11.991 0.194 1.00 1.73 N ATOM 1138 CA ARG A 74 8.872 10.705 0.856 1.00 1.40 C ATOM 1139 C ARG A 74 7.772 9.917 0.129 1.00 1.59 C ATOM 1140 O ARG A 74 6.683 10.438 -0.086 1.00 2.43 O ATOM 1141 CB ARG A 74 8.463 10.881 2.329 1.00 2.35 C ATOM 1142 CG ARG A 74 9.343 11.784 3.203 1.00 2.57 C ATOM 1143 CD ARG A 74 9.080 11.474 4.663 1.00 3.08 C ATOM 1144 NE ARG A 74 9.725 12.407 5.604 1.00 4.03 N ATOM 1145 CZ ARG A 74 10.898 12.223 6.207 1.00 4.39 C ATOM 1146 NH1 ARG A 74 11.743 11.281 5.881 1.00 4.33 N ATOM 1147 NH2 ARG A 74 11.247 12.998 7.206 1.00 5.57 N ATOM 0 H ARG A 74 8.547 12.751 0.530 1.00 1.73 H new ATOM 0 HA ARG A 74 9.809 10.149 0.816 1.00 1.40 H new ATOM 0 HB2 ARG A 74 7.448 11.276 2.352 1.00 2.35 H new ATOM 0 HB3 ARG A 74 8.431 9.894 2.790 1.00 2.35 H new ATOM 0 HG2 ARG A 74 10.395 11.623 2.969 1.00 2.57 H new ATOM 0 HG3 ARG A 74 9.127 12.832 2.997 1.00 2.57 H new ATOM 0 HD2 ARG A 74 8.004 11.486 4.837 1.00 3.08 H new ATOM 0 HD3 ARG A 74 9.427 10.463 4.876 1.00 3.08 H new ATOM 0 HE ARG A 74 9.228 13.273 5.812 1.00 4.03 H new ATOM 0 HH11 ARG A 74 11.519 10.634 5.125 1.00 4.33 H new ATOM 0 HH12 ARG A 74 12.627 11.193 6.383 1.00 4.33 H new ATOM 0 HH21 ARG A 74 10.620 13.739 7.519 1.00 5.57 H new ATOM 0 HH22 ARG A 74 12.145 12.859 7.670 1.00 5.57 H new ATOM 1161 N VAL A 75 8.023 8.649 -0.185 1.00 1.72 N ATOM 1162 CA VAL A 75 7.150 7.739 -0.957 1.00 2.88 C ATOM 1163 C VAL A 75 6.451 6.762 0.003 1.00 2.21 C ATOM 1164 O VAL A 75 6.658 5.549 -0.017 1.00 2.05 O ATOM 1165 CB VAL A 75 7.935 6.998 -2.076 1.00 4.17 C ATOM 1166 CG1 VAL A 75 7.003 6.264 -3.058 1.00 5.41 C ATOM 1167 CG2 VAL A 75 8.852 7.917 -2.900 1.00 4.89 C ATOM 0 H VAL A 75 8.888 8.193 0.104 1.00 1.72 H new ATOM 0 HA VAL A 75 6.388 8.330 -1.465 1.00 2.88 H new ATOM 0 HB VAL A 75 8.551 6.282 -1.532 1.00 4.17 H new ATOM 0 HG11 VAL A 75 7.600 5.763 -3.820 1.00 5.41 H new ATOM 0 HG12 VAL A 75 6.412 5.526 -2.516 1.00 5.41 H new ATOM 0 HG13 VAL A 75 6.337 6.983 -3.534 1.00 5.41 H new ATOM 0 HG21 VAL A 75 9.367 7.330 -3.661 1.00 4.89 H new ATOM 0 HG22 VAL A 75 8.254 8.691 -3.381 1.00 4.89 H new ATOM 0 HG23 VAL A 75 9.586 8.382 -2.243 1.00 4.89 H new ATOM 1177 N GLU A 76 5.664 7.335 0.912 1.00 2.04 N ATOM 1178 CA GLU A 76 4.989 6.635 2.006 1.00 1.47 C ATOM 1179 C GLU A 76 3.475 6.663 1.782 1.00 1.35 C ATOM 1180 O GLU A 76 2.892 7.737 1.617 1.00 1.67 O ATOM 1181 CB GLU A 76 5.321 7.229 3.393 1.00 1.84 C ATOM 1182 CG GLU A 76 6.370 8.350 3.429 1.00 2.62 C ATOM 1183 CD GLU A 76 6.279 9.141 4.723 1.00 2.53 C ATOM 1184 OE1 GLU A 76 5.280 9.896 4.805 1.00 2.94 O ATOM 1185 OE2 GLU A 76 7.190 9.015 5.572 1.00 3.19 O ATOM 0 H GLU A 76 5.471 8.337 0.908 1.00 2.04 H new ATOM 0 HA GLU A 76 5.354 5.608 2.001 1.00 1.47 H new ATOM 0 HB2 GLU A 76 4.398 7.612 3.829 1.00 1.84 H new ATOM 0 HB3 GLU A 76 5.666 6.419 4.036 1.00 1.84 H new ATOM 0 HG2 GLU A 76 7.368 7.922 3.330 1.00 2.62 H new ATOM 0 HG3 GLU A 76 6.223 9.017 2.580 1.00 2.62 H new ATOM 1192 N LEU A 77 2.861 5.479 1.824 1.00 1.01 N ATOM 1193 CA LEU A 77 1.435 5.246 1.564 1.00 1.09 C ATOM 1194 C LEU A 77 0.504 5.777 2.665 1.00 1.58 C ATOM 1195 O LEU A 77 -0.546 6.318 2.350 1.00 3.20 O ATOM 1196 CB LEU A 77 1.247 3.725 1.377 1.00 0.77 C ATOM 1197 CG LEU A 77 1.001 3.311 -0.083 1.00 0.55 C ATOM 1198 CD1 LEU A 77 2.170 3.646 -1.020 1.00 0.72 C ATOM 1199 CD2 LEU A 77 0.769 1.799 -0.137 1.00 1.17 C ATOM 0 H LEU A 77 3.362 4.620 2.049 1.00 1.01 H new ATOM 0 HA LEU A 77 1.153 5.802 0.670 1.00 1.09 H new ATOM 0 HB2 LEU A 77 2.133 3.209 1.748 1.00 0.77 H new ATOM 0 HB3 LEU A 77 0.406 3.393 1.987 1.00 0.77 H new ATOM 0 HG LEU A 77 0.133 3.875 -0.426 1.00 0.55 H new ATOM 0 HD11 LEU A 77 1.927 3.326 -2.033 1.00 0.72 H new ATOM 0 HD12 LEU A 77 2.346 4.722 -1.012 1.00 0.72 H new ATOM 0 HD13 LEU A 77 3.068 3.129 -0.681 1.00 0.72 H new ATOM 0 HD21 LEU A 77 0.593 1.494 -1.169 1.00 1.17 H new ATOM 0 HD22 LEU A 77 1.647 1.282 0.249 1.00 1.17 H new ATOM 0 HD23 LEU A 77 -0.099 1.542 0.470 1.00 1.17 H new ATOM 1211 N LYS A 78 0.917 5.639 3.932 1.00 1.24 N ATOM 1212 CA LYS A 78 0.226 6.007 5.195 1.00 1.24 C ATOM 1213 C LYS A 78 -0.601 4.809 5.711 1.00 1.37 C ATOM 1214 O LYS A 78 -1.348 4.234 4.925 1.00 1.58 O ATOM 1215 CB LYS A 78 -0.743 7.220 5.104 1.00 1.32 C ATOM 1216 CG LYS A 78 -0.201 8.638 4.837 1.00 1.77 C ATOM 1217 CD LYS A 78 1.113 8.730 4.040 1.00 2.69 C ATOM 1218 CE LYS A 78 1.684 10.143 3.890 1.00 2.53 C ATOM 1219 NZ LYS A 78 3.024 10.099 3.249 1.00 3.55 N ATOM 0 H LYS A 78 1.830 5.228 4.127 1.00 1.24 H new ATOM 0 HA LYS A 78 1.036 6.291 5.866 1.00 1.24 H new ATOM 0 HB2 LYS A 78 -1.463 6.998 4.317 1.00 1.32 H new ATOM 0 HB3 LYS A 78 -1.298 7.259 6.041 1.00 1.32 H new ATOM 0 HG2 LYS A 78 -0.966 9.201 4.301 1.00 1.77 H new ATOM 0 HG3 LYS A 78 -0.054 9.134 5.797 1.00 1.77 H new ATOM 0 HD2 LYS A 78 1.860 8.103 4.527 1.00 2.69 H new ATOM 0 HD3 LYS A 78 0.947 8.315 3.046 1.00 2.69 H new ATOM 0 HE2 LYS A 78 1.008 10.753 3.291 1.00 2.53 H new ATOM 0 HE3 LYS A 78 1.758 10.617 4.869 1.00 2.53 H new ATOM 0 HZ1 LYS A 78 3.199 10.994 2.748 1.00 3.55 H new ATOM 0 HZ2 LYS A 78 3.753 9.962 3.978 1.00 3.55 H new ATOM 0 HZ3 LYS A 78 3.059 9.311 2.571 1.00 3.55 H new ATOM 1233 N PRO A 79 -0.612 4.504 7.026 1.00 1.59 N ATOM 1234 CA PRO A 79 -1.432 3.434 7.604 1.00 1.94 C ATOM 1235 C PRO A 79 -2.948 3.724 7.629 1.00 1.85 C ATOM 1236 O PRO A 79 -3.699 3.009 8.298 1.00 2.75 O ATOM 1237 CB PRO A 79 -0.854 3.213 9.001 1.00 2.37 C ATOM 1238 CG PRO A 79 -0.360 4.603 9.393 1.00 2.05 C ATOM 1239 CD PRO A 79 0.178 5.145 8.071 1.00 1.85 C ATOM 0 HA PRO A 79 -1.380 2.540 6.983 1.00 1.94 H new ATOM 0 HB2 PRO A 79 -1.608 2.842 9.695 1.00 2.37 H new ATOM 0 HB3 PRO A 79 -0.043 2.484 8.992 1.00 2.37 H new ATOM 0 HG2 PRO A 79 -1.164 5.223 9.789 1.00 2.05 H new ATOM 0 HG3 PRO A 79 0.414 4.558 10.159 1.00 2.05 H new ATOM 0 HD2 PRO A 79 0.080 6.230 8.025 1.00 1.85 H new ATOM 0 HD3 PRO A 79 1.237 4.915 7.957 1.00 1.85 H new ATOM 1247 N GLY A 80 -3.390 4.774 6.925 1.00 1.58 N ATOM 1248 CA GLY A 80 -4.783 5.207 6.843 1.00 1.65 C ATOM 1249 C GLY A 80 -5.123 6.207 5.729 1.00 1.33 C ATOM 1250 O GLY A 80 -6.174 6.823 5.847 1.00 1.88 O ATOM 0 H GLY A 80 -2.762 5.364 6.379 1.00 1.58 H new ATOM 0 HA2 GLY A 80 -5.408 4.324 6.712 1.00 1.65 H new ATOM 0 HA3 GLY A 80 -5.059 5.653 7.798 1.00 1.65 H new ATOM 1254 N GLY A 81 -4.294 6.395 4.680 1.00 1.16 N ATOM 1255 CA GLY A 81 -4.678 7.254 3.529 1.00 0.92 C ATOM 1256 C GLY A 81 -4.419 6.715 2.128 1.00 1.06 C ATOM 1257 O GLY A 81 -5.187 7.032 1.233 1.00 2.10 O ATOM 0 H GLY A 81 -3.369 5.973 4.602 1.00 1.16 H new ATOM 0 HA2 GLY A 81 -5.743 7.472 3.613 1.00 0.92 H new ATOM 0 HA3 GLY A 81 -4.150 8.202 3.627 1.00 0.92 H new ATOM 1261 N TYR A 82 -3.411 5.872 1.909 1.00 0.76 N ATOM 1262 CA TYR A 82 -3.301 5.045 0.699 1.00 0.64 C ATOM 1263 C TYR A 82 -2.841 3.629 1.038 1.00 0.68 C ATOM 1264 O TYR A 82 -2.083 3.409 1.977 1.00 0.80 O ATOM 1265 CB TYR A 82 -2.373 5.669 -0.353 1.00 0.73 C ATOM 1266 CG TYR A 82 -2.909 6.950 -0.950 1.00 0.66 C ATOM 1267 CD1 TYR A 82 -3.784 6.888 -2.048 1.00 2.16 C ATOM 1268 CD2 TYR A 82 -2.571 8.194 -0.385 1.00 1.80 C ATOM 1269 CE1 TYR A 82 -4.321 8.068 -2.588 1.00 2.10 C ATOM 1270 CE2 TYR A 82 -3.114 9.379 -0.917 1.00 1.85 C ATOM 1271 CZ TYR A 82 -3.993 9.320 -2.021 1.00 0.61 C ATOM 1272 OH TYR A 82 -4.533 10.462 -2.530 1.00 0.66 O ATOM 0 H TYR A 82 -2.642 5.740 2.566 1.00 0.76 H new ATOM 0 HA TYR A 82 -4.300 4.995 0.266 1.00 0.64 H new ATOM 0 HB2 TYR A 82 -1.403 5.869 0.103 1.00 0.73 H new ATOM 0 HB3 TYR A 82 -2.207 4.947 -1.153 1.00 0.73 H new ATOM 0 HD1 TYR A 82 -4.044 5.932 -2.477 1.00 2.16 H new ATOM 0 HD2 TYR A 82 -1.895 8.240 0.456 1.00 1.80 H new ATOM 0 HE1 TYR A 82 -4.986 8.018 -3.438 1.00 2.10 H new ATOM 0 HE2 TYR A 82 -2.858 10.333 -0.481 1.00 1.85 H new ATOM 0 HH TYR A 82 -4.204 11.234 -2.023 1.00 0.66 H new ATOM 1282 N HIS A 83 -3.318 2.653 0.274 1.00 0.60 N ATOM 1283 CA HIS A 83 -2.959 1.248 0.457 1.00 0.64 C ATOM 1284 C HIS A 83 -3.189 0.415 -0.803 1.00 0.60 C ATOM 1285 O HIS A 83 -4.143 0.648 -1.548 1.00 0.61 O ATOM 1286 CB HIS A 83 -3.697 0.650 1.661 1.00 0.68 C ATOM 1287 CG HIS A 83 -5.191 0.631 1.514 1.00 0.62 C ATOM 1288 ND1 HIS A 83 -6.043 1.689 1.739 1.00 0.59 N ATOM 1289 CD2 HIS A 83 -5.938 -0.400 1.016 1.00 0.61 C ATOM 1290 CE1 HIS A 83 -7.269 1.312 1.365 1.00 0.55 C ATOM 1291 NE2 HIS A 83 -7.260 0.035 0.955 1.00 0.56 N ATOM 0 H HIS A 83 -3.969 2.813 -0.495 1.00 0.60 H new ATOM 0 HA HIS A 83 -1.888 1.216 0.658 1.00 0.64 H new ATOM 0 HB2 HIS A 83 -3.345 -0.369 1.820 1.00 0.68 H new ATOM 0 HB3 HIS A 83 -3.437 1.220 2.553 1.00 0.68 H new ATOM 0 HD1 HIS A 83 -5.784 2.598 2.123 1.00 0.59 H new ATOM 0 HD2 HIS A 83 -5.571 -1.373 0.724 1.00 0.61 H new ATOM 0 HE1 HIS A 83 -8.143 1.946 1.389 1.00 0.55 H new ATOM 1299 N PHE A 84 -2.368 -0.614 -0.980 1.00 0.60 N ATOM 1300 CA PHE A 84 -2.682 -1.710 -1.889 1.00 0.58 C ATOM 1301 C PHE A 84 -3.650 -2.673 -1.205 1.00 0.55 C ATOM 1302 O PHE A 84 -3.415 -3.071 -0.066 1.00 0.65 O ATOM 1303 CB PHE A 84 -1.387 -2.423 -2.276 1.00 0.60 C ATOM 1304 CG PHE A 84 -0.498 -1.558 -3.131 1.00 0.58 C ATOM 1305 CD1 PHE A 84 -0.824 -1.382 -4.483 1.00 1.93 C ATOM 1306 CD2 PHE A 84 0.602 -0.880 -2.576 1.00 1.45 C ATOM 1307 CE1 PHE A 84 -0.033 -0.558 -5.291 1.00 1.97 C ATOM 1308 CE2 PHE A 84 1.389 -0.042 -3.384 1.00 1.44 C ATOM 1309 CZ PHE A 84 1.076 0.114 -4.744 1.00 0.69 C ATOM 0 H PHE A 84 -1.473 -0.712 -0.501 1.00 0.60 H new ATOM 0 HA PHE A 84 -3.156 -1.328 -2.793 1.00 0.58 H new ATOM 0 HB2 PHE A 84 -0.850 -2.713 -1.373 1.00 0.60 H new ATOM 0 HB3 PHE A 84 -1.626 -3.340 -2.814 1.00 0.60 H new ATOM 0 HD1 PHE A 84 -1.685 -1.882 -4.901 1.00 1.93 H new ATOM 0 HD2 PHE A 84 0.842 -1.003 -1.530 1.00 1.45 H new ATOM 0 HE1 PHE A 84 -0.274 -0.437 -6.337 1.00 1.97 H new ATOM 0 HE2 PHE A 84 2.233 0.481 -2.960 1.00 1.44 H new ATOM 0 HZ PHE A 84 1.686 0.749 -5.370 1.00 0.69 H new ATOM 1319 N MET A 85 -4.723 -3.054 -1.890 1.00 0.49 N ATOM 1320 CA MET A 85 -5.676 -4.091 -1.491 1.00 0.42 C ATOM 1321 C MET A 85 -5.219 -5.427 -2.090 1.00 0.44 C ATOM 1322 O MET A 85 -5.363 -5.652 -3.289 1.00 0.77 O ATOM 1323 CB MET A 85 -7.077 -3.688 -1.958 1.00 0.43 C ATOM 1324 CG MET A 85 -8.180 -4.432 -1.187 1.00 0.63 C ATOM 1325 SD MET A 85 -9.061 -3.437 0.066 1.00 0.81 S ATOM 1326 CE MET A 85 -8.960 -4.505 1.534 1.00 0.60 C ATOM 0 H MET A 85 -4.966 -2.628 -2.784 1.00 0.49 H new ATOM 0 HA MET A 85 -5.714 -4.204 -0.407 1.00 0.42 H new ATOM 0 HB2 MET A 85 -7.207 -2.613 -1.829 1.00 0.43 H new ATOM 0 HB3 MET A 85 -7.177 -3.895 -3.023 1.00 0.43 H new ATOM 0 HG2 MET A 85 -8.908 -4.812 -1.903 1.00 0.63 H new ATOM 0 HG3 MET A 85 -7.736 -5.297 -0.694 1.00 0.63 H new ATOM 0 HE1 MET A 85 -9.534 -4.061 2.347 1.00 0.60 H new ATOM 0 HE2 MET A 85 -9.367 -5.488 1.297 1.00 0.60 H new ATOM 0 HE3 MET A 85 -7.918 -4.607 1.838 1.00 0.60 H new ATOM 1336 N LEU A 86 -4.630 -6.288 -1.262 1.00 0.54 N ATOM 1337 CA LEU A 86 -4.025 -7.552 -1.679 1.00 0.58 C ATOM 1338 C LEU A 86 -5.128 -8.604 -1.712 1.00 0.61 C ATOM 1339 O LEU A 86 -5.731 -8.885 -0.683 1.00 0.67 O ATOM 1340 CB LEU A 86 -2.904 -7.945 -0.699 1.00 0.64 C ATOM 1341 CG LEU A 86 -1.542 -7.279 -0.971 1.00 0.70 C ATOM 1342 CD1 LEU A 86 -1.567 -5.753 -0.805 1.00 1.06 C ATOM 1343 CD2 LEU A 86 -0.503 -7.867 -0.009 1.00 1.25 C ATOM 0 H LEU A 86 -4.558 -6.122 -0.258 1.00 0.54 H new ATOM 0 HA LEU A 86 -3.575 -7.463 -2.668 1.00 0.58 H new ATOM 0 HB2 LEU A 86 -3.220 -7.691 0.313 1.00 0.64 H new ATOM 0 HB3 LEU A 86 -2.776 -9.027 -0.731 1.00 0.64 H new ATOM 0 HG LEU A 86 -1.288 -7.482 -2.011 1.00 0.70 H new ATOM 0 HD11 LEU A 86 -0.576 -5.348 -1.011 1.00 1.06 H new ATOM 0 HD12 LEU A 86 -2.287 -5.323 -1.502 1.00 1.06 H new ATOM 0 HD13 LEU A 86 -1.856 -5.503 0.216 1.00 1.06 H new ATOM 0 HD21 LEU A 86 0.466 -7.403 -0.192 1.00 1.25 H new ATOM 0 HD22 LEU A 86 -0.809 -7.674 1.019 1.00 1.25 H new ATOM 0 HD23 LEU A 86 -0.426 -8.942 -0.169 1.00 1.25 H new ATOM 1355 N LEU A 87 -5.421 -9.162 -2.884 1.00 0.66 N ATOM 1356 CA LEU A 87 -6.653 -9.886 -3.170 1.00 0.59 C ATOM 1357 C LEU A 87 -6.359 -11.246 -3.816 1.00 0.52 C ATOM 1358 O LEU A 87 -5.509 -11.358 -4.697 1.00 0.65 O ATOM 1359 CB LEU A 87 -7.515 -8.936 -4.025 1.00 0.86 C ATOM 1360 CG LEU A 87 -9.002 -9.317 -4.116 1.00 1.31 C ATOM 1361 CD1 LEU A 87 -9.838 -8.036 -4.203 1.00 1.63 C ATOM 1362 CD2 LEU A 87 -9.322 -10.240 -5.289 1.00 3.12 C ATOM 0 H LEU A 87 -4.788 -9.121 -3.683 1.00 0.66 H new ATOM 0 HA LEU A 87 -7.206 -10.148 -2.268 1.00 0.59 H new ATOM 0 HB2 LEU A 87 -7.437 -7.929 -3.614 1.00 0.86 H new ATOM 0 HB3 LEU A 87 -7.101 -8.902 -5.033 1.00 0.86 H new ATOM 0 HG LEU A 87 -9.251 -9.880 -3.216 1.00 1.31 H new ATOM 0 HD11 LEU A 87 -10.895 -8.295 -4.268 1.00 1.63 H new ATOM 0 HD12 LEU A 87 -9.667 -7.429 -3.314 1.00 1.63 H new ATOM 0 HD13 LEU A 87 -9.548 -7.472 -5.089 1.00 1.63 H new ATOM 0 HD21 LEU A 87 -10.388 -10.468 -5.292 1.00 3.12 H new ATOM 0 HD22 LEU A 87 -9.053 -9.747 -6.223 1.00 3.12 H new ATOM 0 HD23 LEU A 87 -8.754 -11.165 -5.190 1.00 3.12 H new ATOM 1374 N GLY A 88 -7.032 -12.302 -3.350 1.00 0.55 N ATOM 1375 CA GLY A 88 -6.800 -13.673 -3.835 1.00 0.67 C ATOM 1376 C GLY A 88 -5.532 -14.284 -3.238 1.00 0.92 C ATOM 1377 O GLY A 88 -4.670 -14.769 -3.968 1.00 1.85 O ATOM 0 H GLY A 88 -7.751 -12.235 -2.629 1.00 0.55 H new ATOM 0 HA2 GLY A 88 -7.657 -14.297 -3.582 1.00 0.67 H new ATOM 0 HA3 GLY A 88 -6.721 -13.665 -4.922 1.00 0.67 H new ATOM 1381 N LEU A 89 -5.398 -14.175 -1.912 1.00 0.46 N ATOM 1382 CA LEU A 89 -4.262 -14.638 -1.117 1.00 0.47 C ATOM 1383 C LEU A 89 -3.809 -16.067 -1.410 1.00 0.54 C ATOM 1384 O LEU A 89 -4.578 -16.939 -1.804 1.00 0.65 O ATOM 1385 CB LEU A 89 -4.498 -14.525 0.397 1.00 0.53 C ATOM 1386 CG LEU A 89 -5.180 -13.262 0.960 1.00 0.55 C ATOM 1387 CD1 LEU A 89 -5.136 -13.387 2.483 1.00 0.71 C ATOM 1388 CD2 LEU A 89 -4.509 -11.943 0.541 1.00 0.49 C ATOM 0 H LEU A 89 -6.118 -13.738 -1.337 1.00 0.46 H new ATOM 0 HA LEU A 89 -3.470 -13.957 -1.429 1.00 0.47 H new ATOM 0 HB2 LEU A 89 -5.096 -15.384 0.701 1.00 0.53 H new ATOM 0 HB3 LEU A 89 -3.530 -14.621 0.888 1.00 0.53 H new ATOM 0 HG LEU A 89 -6.193 -13.214 0.560 1.00 0.55 H new ATOM 0 HD11 LEU A 89 -5.608 -12.514 2.934 1.00 0.71 H new ATOM 0 HD12 LEU A 89 -5.669 -14.287 2.790 1.00 0.71 H new ATOM 0 HD13 LEU A 89 -4.099 -13.449 2.813 1.00 0.71 H new ATOM 0 HD21 LEU A 89 -5.050 -11.104 0.979 1.00 0.49 H new ATOM 0 HD22 LEU A 89 -3.477 -11.932 0.892 1.00 0.49 H new ATOM 0 HD23 LEU A 89 -4.524 -11.856 -0.545 1.00 0.49 H new ATOM 1400 N LYS A 90 -2.530 -16.291 -1.124 1.00 0.59 N ATOM 1401 CA LYS A 90 -1.844 -17.568 -1.380 1.00 0.71 C ATOM 1402 C LYS A 90 -1.284 -18.255 -0.126 1.00 0.87 C ATOM 1403 O LYS A 90 -1.156 -19.478 -0.068 1.00 0.99 O ATOM 1404 CB LYS A 90 -0.694 -17.337 -2.359 1.00 0.77 C ATOM 1405 CG LYS A 90 -0.983 -16.468 -3.602 1.00 0.72 C ATOM 1406 CD LYS A 90 -2.022 -17.106 -4.516 1.00 1.10 C ATOM 1407 CE LYS A 90 -2.093 -16.359 -5.853 1.00 1.11 C ATOM 1408 NZ LYS A 90 -2.871 -17.091 -6.879 1.00 1.69 N ATOM 0 H LYS A 90 -1.926 -15.585 -0.702 1.00 0.59 H new ATOM 0 HA LYS A 90 -2.604 -18.235 -1.788 1.00 0.71 H new ATOM 0 HB2 LYS A 90 0.128 -16.877 -1.810 1.00 0.77 H new ATOM 0 HB3 LYS A 90 -0.343 -18.310 -2.702 1.00 0.77 H new ATOM 0 HG2 LYS A 90 -1.334 -15.486 -3.284 1.00 0.72 H new ATOM 0 HG3 LYS A 90 -0.059 -16.312 -4.158 1.00 0.72 H new ATOM 0 HD2 LYS A 90 -1.768 -18.152 -4.690 1.00 1.10 H new ATOM 0 HD3 LYS A 90 -2.999 -17.091 -4.032 1.00 1.10 H new ATOM 0 HE2 LYS A 90 -2.543 -15.379 -5.693 1.00 1.11 H new ATOM 0 HE3 LYS A 90 -1.082 -16.189 -6.223 1.00 1.11 H new ATOM 0 HZ1 LYS A 90 -2.556 -16.800 -7.827 1.00 1.69 H new ATOM 0 HZ2 LYS A 90 -2.722 -18.114 -6.764 1.00 1.69 H new ATOM 0 HZ3 LYS A 90 -3.882 -16.874 -6.768 1.00 1.69 H new ATOM 1422 N ARG A 91 -0.910 -17.453 0.872 1.00 0.99 N ATOM 1423 CA ARG A 91 -0.477 -17.884 2.206 1.00 1.29 C ATOM 1424 C ARG A 91 -1.578 -17.563 3.234 1.00 1.36 C ATOM 1425 O ARG A 91 -2.241 -16.540 3.067 1.00 1.24 O ATOM 1426 CB ARG A 91 0.797 -17.124 2.612 1.00 1.31 C ATOM 1427 CG ARG A 91 2.069 -17.565 1.877 1.00 1.78 C ATOM 1428 CD ARG A 91 2.629 -18.906 2.366 1.00 2.48 C ATOM 1429 NE ARG A 91 3.927 -19.211 1.730 1.00 3.86 N ATOM 1430 CZ ARG A 91 5.112 -18.672 2.026 1.00 4.41 C ATOM 1431 NH1 ARG A 91 5.266 -17.779 2.983 1.00 4.56 N ATOM 1432 NH2 ARG A 91 6.180 -19.027 1.342 1.00 5.83 N ATOM 0 H ARG A 91 -0.900 -16.438 0.770 1.00 0.99 H new ATOM 0 HA ARG A 91 -0.282 -18.956 2.182 1.00 1.29 H new ATOM 0 HB2 ARG A 91 0.641 -16.060 2.434 1.00 1.31 H new ATOM 0 HB3 ARG A 91 0.952 -17.248 3.684 1.00 1.31 H new ATOM 0 HG2 ARG A 91 1.855 -17.638 0.811 1.00 1.78 H new ATOM 0 HG3 ARG A 91 2.833 -16.797 1.997 1.00 1.78 H new ATOM 0 HD2 ARG A 91 2.750 -18.879 3.449 1.00 2.48 H new ATOM 0 HD3 ARG A 91 1.918 -19.702 2.145 1.00 2.48 H new ATOM 0 HE ARG A 91 3.917 -19.908 0.985 1.00 3.86 H new ATOM 0 HH11 ARG A 91 4.461 -17.474 3.531 1.00 4.56 H new ATOM 0 HH12 ARG A 91 6.190 -17.393 3.176 1.00 4.56 H new ATOM 0 HH21 ARG A 91 6.100 -19.711 0.590 1.00 5.83 H new ATOM 0 HH22 ARG A 91 7.087 -18.618 1.565 1.00 5.83 H new ATOM 1446 N PRO A 92 -1.742 -18.377 4.293 1.00 1.80 N ATOM 1447 CA PRO A 92 -2.383 -17.944 5.523 1.00 2.04 C ATOM 1448 C PRO A 92 -1.420 -17.034 6.299 1.00 1.88 C ATOM 1449 O PRO A 92 -0.211 -17.044 6.055 1.00 2.19 O ATOM 1450 CB PRO A 92 -2.687 -19.236 6.283 1.00 2.58 C ATOM 1451 CG PRO A 92 -1.517 -20.140 5.895 1.00 2.66 C ATOM 1452 CD PRO A 92 -1.192 -19.716 4.459 1.00 2.23 C ATOM 0 HA PRO A 92 -3.294 -17.368 5.360 1.00 2.04 H new ATOM 0 HB2 PRO A 92 -2.731 -19.071 7.360 1.00 2.58 H new ATOM 0 HB3 PRO A 92 -3.645 -19.664 5.986 1.00 2.58 H new ATOM 0 HG2 PRO A 92 -0.663 -19.997 6.558 1.00 2.66 H new ATOM 0 HG3 PRO A 92 -1.790 -21.194 5.949 1.00 2.66 H new ATOM 0 HD2 PRO A 92 -0.116 -19.718 4.287 1.00 2.23 H new ATOM 0 HD3 PRO A 92 -1.631 -20.408 3.741 1.00 2.23 H new ATOM 1460 N LEU A 93 -1.964 -16.275 7.251 1.00 2.09 N ATOM 1461 CA LEU A 93 -1.237 -15.340 8.111 1.00 2.02 C ATOM 1462 C LEU A 93 -2.005 -15.139 9.425 1.00 1.99 C ATOM 1463 O LEU A 93 -3.217 -15.323 9.468 1.00 2.52 O ATOM 1464 CB LEU A 93 -0.984 -13.999 7.380 1.00 2.10 C ATOM 1465 CG LEU A 93 -2.236 -13.335 6.743 1.00 2.29 C ATOM 1466 CD1 LEU A 93 -2.229 -11.815 6.953 1.00 2.78 C ATOM 1467 CD2 LEU A 93 -2.316 -13.621 5.236 1.00 2.06 C ATOM 0 H LEU A 93 -2.964 -16.296 7.452 1.00 2.09 H new ATOM 0 HA LEU A 93 -0.260 -15.760 8.350 1.00 2.02 H new ATOM 0 HB2 LEU A 93 -0.543 -13.297 8.088 1.00 2.10 H new ATOM 0 HB3 LEU A 93 -0.245 -14.167 6.596 1.00 2.10 H new ATOM 0 HG LEU A 93 -3.104 -13.767 7.240 1.00 2.29 H new ATOM 0 HD11 LEU A 93 -3.118 -11.380 6.496 1.00 2.78 H new ATOM 0 HD12 LEU A 93 -2.226 -11.595 8.021 1.00 2.78 H new ATOM 0 HD13 LEU A 93 -1.338 -11.388 6.492 1.00 2.78 H new ATOM 0 HD21 LEU A 93 -3.203 -13.142 4.821 1.00 2.06 H new ATOM 0 HD22 LEU A 93 -1.427 -13.227 4.743 1.00 2.06 H new ATOM 0 HD23 LEU A 93 -2.374 -14.697 5.072 1.00 2.06 H new ATOM 1479 N LYS A 94 -1.313 -14.744 10.503 1.00 1.71 N ATOM 1480 CA LYS A 94 -1.936 -14.628 11.842 1.00 1.94 C ATOM 1481 C LYS A 94 -1.396 -13.514 12.750 1.00 2.21 C ATOM 1482 O LYS A 94 -1.481 -13.582 13.972 1.00 4.14 O ATOM 1483 CB LYS A 94 -1.975 -16.014 12.516 1.00 2.37 C ATOM 1484 CG LYS A 94 -0.685 -16.512 13.198 1.00 2.40 C ATOM 1485 CD LYS A 94 0.501 -16.707 12.252 1.00 2.12 C ATOM 1486 CE LYS A 94 1.617 -17.498 12.944 1.00 3.41 C ATOM 1487 NZ LYS A 94 2.762 -17.714 12.028 1.00 4.07 N ATOM 0 H LYS A 94 -0.323 -14.498 10.481 1.00 1.71 H new ATOM 0 HA LYS A 94 -2.956 -14.284 11.672 1.00 1.94 H new ATOM 0 HB2 LYS A 94 -2.767 -16.002 13.264 1.00 2.37 H new ATOM 0 HB3 LYS A 94 -2.261 -16.747 11.761 1.00 2.37 H new ATOM 0 HG2 LYS A 94 -0.401 -15.800 13.973 1.00 2.40 H new ATOM 0 HG3 LYS A 94 -0.895 -17.459 13.696 1.00 2.40 H new ATOM 0 HD2 LYS A 94 0.175 -17.235 11.356 1.00 2.12 H new ATOM 0 HD3 LYS A 94 0.880 -15.737 11.931 1.00 2.12 H new ATOM 0 HE2 LYS A 94 1.953 -16.960 13.831 1.00 3.41 H new ATOM 0 HE3 LYS A 94 1.230 -18.460 13.282 1.00 3.41 H new ATOM 0 HZ1 LYS A 94 3.327 -18.520 12.363 1.00 4.07 H new ATOM 0 HZ2 LYS A 94 2.408 -17.914 11.071 1.00 4.07 H new ATOM 0 HZ3 LYS A 94 3.355 -16.860 12.006 1.00 4.07 H new ATOM 1501 N ALA A 95 -0.834 -12.509 12.086 1.00 1.19 N ATOM 1502 CA ALA A 95 0.093 -11.506 12.618 1.00 1.19 C ATOM 1503 C ALA A 95 1.432 -12.150 13.013 1.00 1.15 C ATOM 1504 O ALA A 95 1.561 -13.377 13.050 1.00 1.49 O ATOM 1505 CB ALA A 95 -0.558 -10.691 13.742 1.00 1.26 C ATOM 0 H ALA A 95 -1.025 -12.360 11.095 1.00 1.19 H new ATOM 0 HA ALA A 95 0.326 -10.789 11.831 1.00 1.19 H new ATOM 0 HB1 ALA A 95 0.153 -9.955 14.117 1.00 1.26 H new ATOM 0 HB2 ALA A 95 -1.440 -10.179 13.357 1.00 1.26 H new ATOM 0 HB3 ALA A 95 -0.851 -11.358 14.553 1.00 1.26 H new ATOM 1511 N GLY A 96 2.471 -11.336 13.216 1.00 1.00 N ATOM 1512 CA GLY A 96 3.835 -11.796 13.518 1.00 1.07 C ATOM 1513 C GLY A 96 4.599 -12.369 12.316 1.00 1.03 C ATOM 1514 O GLY A 96 5.782 -12.663 12.450 1.00 1.34 O ATOM 0 H GLY A 96 2.390 -10.320 13.175 1.00 1.00 H new ATOM 0 HA2 GLY A 96 4.403 -10.961 13.928 1.00 1.07 H new ATOM 0 HA3 GLY A 96 3.783 -12.558 14.295 1.00 1.07 H new ATOM 1518 N GLU A 97 3.942 -12.514 11.163 1.00 1.01 N ATOM 1519 CA GLU A 97 4.564 -12.908 9.903 1.00 1.04 C ATOM 1520 C GLU A 97 5.316 -11.715 9.289 1.00 0.93 C ATOM 1521 O GLU A 97 5.059 -10.557 9.631 1.00 0.95 O ATOM 1522 CB GLU A 97 3.525 -13.426 8.884 1.00 1.06 C ATOM 1523 CG GLU A 97 2.374 -14.315 9.389 1.00 1.40 C ATOM 1524 CD GLU A 97 2.811 -15.710 9.821 1.00 1.50 C ATOM 1525 OE1 GLU A 97 3.846 -15.851 10.504 1.00 2.91 O ATOM 1526 OE2 GLU A 97 2.034 -16.668 9.616 1.00 2.15 O ATOM 0 H GLU A 97 2.938 -12.356 11.081 1.00 1.01 H new ATOM 0 HA GLU A 97 5.259 -13.718 10.126 1.00 1.04 H new ATOM 0 HB2 GLU A 97 3.082 -12.559 8.394 1.00 1.06 H new ATOM 0 HB3 GLU A 97 4.063 -13.985 8.118 1.00 1.06 H new ATOM 0 HG2 GLU A 97 1.889 -13.820 10.231 1.00 1.40 H new ATOM 0 HG3 GLU A 97 1.627 -14.407 8.600 1.00 1.40 H new ATOM 1533 N GLU A 98 6.153 -12.025 8.303 1.00 0.94 N ATOM 1534 CA GLU A 98 6.879 -11.144 7.406 1.00 0.88 C ATOM 1535 C GLU A 98 6.356 -11.494 6.015 1.00 0.89 C ATOM 1536 O GLU A 98 6.331 -12.665 5.627 1.00 1.05 O ATOM 1537 CB GLU A 98 8.389 -11.435 7.474 1.00 1.19 C ATOM 1538 CG GLU A 98 9.116 -10.624 8.549 1.00 1.63 C ATOM 1539 CD GLU A 98 9.466 -9.225 8.043 1.00 2.50 C ATOM 1540 OE1 GLU A 98 8.540 -8.384 7.995 1.00 3.85 O ATOM 1541 OE2 GLU A 98 10.650 -9.011 7.706 1.00 3.03 O ATOM 0 H GLU A 98 6.357 -13.002 8.095 1.00 0.94 H new ATOM 0 HA GLU A 98 6.737 -10.094 7.661 1.00 0.88 H new ATOM 0 HB2 GLU A 98 8.538 -12.497 7.667 1.00 1.19 H new ATOM 0 HB3 GLU A 98 8.837 -11.222 6.503 1.00 1.19 H new ATOM 0 HG2 GLU A 98 8.488 -10.546 9.436 1.00 1.63 H new ATOM 0 HG3 GLU A 98 10.026 -11.144 8.847 1.00 1.63 H new ATOM 1548 N VAL A 99 5.894 -10.484 5.297 1.00 0.90 N ATOM 1549 CA VAL A 99 5.319 -10.610 3.947 1.00 0.98 C ATOM 1550 C VAL A 99 6.033 -9.667 2.984 1.00 0.85 C ATOM 1551 O VAL A 99 6.370 -8.536 3.317 1.00 0.75 O ATOM 1552 CB VAL A 99 3.804 -10.335 3.954 1.00 1.10 C ATOM 1553 CG1 VAL A 99 3.190 -10.297 2.547 1.00 1.39 C ATOM 1554 CG2 VAL A 99 3.048 -11.405 4.761 1.00 1.21 C ATOM 0 H VAL A 99 5.904 -9.522 5.637 1.00 0.90 H new ATOM 0 HA VAL A 99 5.465 -11.636 3.610 1.00 0.98 H new ATOM 0 HB VAL A 99 3.697 -9.352 4.413 1.00 1.10 H new ATOM 0 HG11 VAL A 99 2.121 -10.099 2.622 1.00 1.39 H new ATOM 0 HG12 VAL A 99 3.665 -9.508 1.964 1.00 1.39 H new ATOM 0 HG13 VAL A 99 3.348 -11.257 2.055 1.00 1.39 H new ATOM 0 HG21 VAL A 99 1.981 -11.184 4.748 1.00 1.21 H new ATOM 0 HG22 VAL A 99 3.221 -12.385 4.317 1.00 1.21 H new ATOM 0 HG23 VAL A 99 3.406 -11.405 5.791 1.00 1.21 H new ATOM 1564 N GLU A 100 6.256 -10.163 1.771 1.00 0.95 N ATOM 1565 CA GLU A 100 7.089 -9.519 0.754 1.00 0.87 C ATOM 1566 C GLU A 100 6.266 -8.905 -0.387 1.00 0.70 C ATOM 1567 O GLU A 100 5.328 -9.523 -0.901 1.00 0.69 O ATOM 1568 CB GLU A 100 8.177 -10.491 0.272 1.00 1.22 C ATOM 1569 CG GLU A 100 7.663 -11.738 -0.464 1.00 2.07 C ATOM 1570 CD GLU A 100 8.749 -12.804 -0.627 1.00 2.42 C ATOM 1571 OE1 GLU A 100 9.875 -12.417 -1.022 1.00 2.34 O ATOM 1572 OE2 GLU A 100 8.448 -13.990 -0.372 1.00 3.76 O ATOM 0 H GLU A 100 5.853 -11.046 1.457 1.00 0.95 H new ATOM 0 HA GLU A 100 7.592 -8.668 1.213 1.00 0.87 H new ATOM 0 HB2 GLU A 100 8.855 -9.952 -0.390 1.00 1.22 H new ATOM 0 HB3 GLU A 100 8.761 -10.813 1.134 1.00 1.22 H new ATOM 0 HG2 GLU A 100 6.822 -12.160 0.085 1.00 2.07 H new ATOM 0 HG3 GLU A 100 7.290 -11.449 -1.447 1.00 2.07 H new ATOM 1579 N LEU A 101 6.621 -7.668 -0.766 1.00 0.70 N ATOM 1580 CA LEU A 101 5.970 -6.887 -1.823 1.00 0.61 C ATOM 1581 C LEU A 101 6.990 -6.265 -2.785 1.00 0.54 C ATOM 1582 O LEU A 101 7.923 -5.588 -2.368 1.00 0.57 O ATOM 1583 CB LEU A 101 5.094 -5.755 -1.240 1.00 0.68 C ATOM 1584 CG LEU A 101 3.648 -6.150 -0.871 1.00 1.07 C ATOM 1585 CD1 LEU A 101 3.532 -6.825 0.501 1.00 1.91 C ATOM 1586 CD2 LEU A 101 2.753 -4.907 -0.841 1.00 1.66 C ATOM 0 H LEU A 101 7.396 -7.169 -0.329 1.00 0.70 H new ATOM 0 HA LEU A 101 5.341 -7.590 -2.369 1.00 0.61 H new ATOM 0 HB2 LEU A 101 5.583 -5.365 -0.348 1.00 0.68 H new ATOM 0 HB3 LEU A 101 5.055 -4.941 -1.964 1.00 0.68 H new ATOM 0 HG LEU A 101 3.334 -6.860 -1.636 1.00 1.07 H new ATOM 0 HD11 LEU A 101 2.489 -7.076 0.696 1.00 1.91 H new ATOM 0 HD12 LEU A 101 4.132 -7.735 0.511 1.00 1.91 H new ATOM 0 HD13 LEU A 101 3.892 -6.145 1.273 1.00 1.91 H new ATOM 0 HD21 LEU A 101 1.735 -5.198 -0.580 1.00 1.66 H new ATOM 0 HD22 LEU A 101 3.132 -4.204 -0.099 1.00 1.66 H new ATOM 0 HD23 LEU A 101 2.754 -4.434 -1.823 1.00 1.66 H new ATOM 1598 N ASP A 102 6.718 -6.401 -4.076 1.00 0.59 N ATOM 1599 CA ASP A 102 7.252 -5.591 -5.176 1.00 0.53 C ATOM 1600 C ASP A 102 6.501 -4.252 -5.208 1.00 0.65 C ATOM 1601 O ASP A 102 5.273 -4.234 -5.128 1.00 0.90 O ATOM 1602 CB ASP A 102 6.938 -6.326 -6.492 1.00 0.59 C ATOM 1603 CG ASP A 102 7.916 -7.399 -6.972 1.00 0.92 C ATOM 1604 OD1 ASP A 102 9.111 -7.320 -6.620 1.00 1.80 O ATOM 1605 OD2 ASP A 102 7.439 -8.281 -7.729 1.00 1.83 O ATOM 0 H ASP A 102 6.080 -7.123 -4.409 1.00 0.59 H new ATOM 0 HA ASP A 102 8.323 -5.431 -5.049 1.00 0.53 H new ATOM 0 HB2 ASP A 102 5.958 -6.792 -6.388 1.00 0.59 H new ATOM 0 HB3 ASP A 102 6.853 -5.577 -7.279 1.00 0.59 H new ATOM 1610 N LEU A 103 7.205 -3.134 -5.387 1.00 0.62 N ATOM 1611 CA LEU A 103 6.622 -1.839 -5.746 1.00 0.61 C ATOM 1612 C LEU A 103 6.872 -1.581 -7.239 1.00 0.60 C ATOM 1613 O LEU A 103 8.020 -1.650 -7.679 1.00 0.68 O ATOM 1614 CB LEU A 103 7.263 -0.724 -4.904 1.00 0.66 C ATOM 1615 CG LEU A 103 6.854 -0.701 -3.421 1.00 0.75 C ATOM 1616 CD1 LEU A 103 7.423 -1.873 -2.608 1.00 0.92 C ATOM 1617 CD2 LEU A 103 7.330 0.628 -2.815 1.00 0.98 C ATOM 0 H LEU A 103 8.219 -3.102 -5.284 1.00 0.62 H new ATOM 0 HA LEU A 103 5.550 -1.849 -5.549 1.00 0.61 H new ATOM 0 HB2 LEU A 103 8.347 -0.824 -4.963 1.00 0.66 H new ATOM 0 HB3 LEU A 103 7.007 0.237 -5.349 1.00 0.66 H new ATOM 0 HG LEU A 103 5.770 -0.801 -3.375 1.00 0.75 H new ATOM 0 HD11 LEU A 103 7.093 -1.791 -1.572 1.00 0.92 H new ATOM 0 HD12 LEU A 103 7.068 -2.814 -3.029 1.00 0.92 H new ATOM 0 HD13 LEU A 103 8.512 -1.847 -2.645 1.00 0.92 H new ATOM 0 HD21 LEU A 103 7.051 0.668 -1.762 1.00 0.98 H new ATOM 0 HD22 LEU A 103 8.414 0.702 -2.907 1.00 0.98 H new ATOM 0 HD23 LEU A 103 6.863 1.458 -3.346 1.00 0.98 H new ATOM 1629 N LEU A 104 5.820 -1.280 -8.011 1.00 0.54 N ATOM 1630 CA LEU A 104 5.887 -1.089 -9.458 1.00 0.55 C ATOM 1631 C LEU A 104 5.813 0.407 -9.796 1.00 0.54 C ATOM 1632 O LEU A 104 4.761 1.054 -9.702 1.00 0.44 O ATOM 1633 CB LEU A 104 4.760 -1.883 -10.148 1.00 0.55 C ATOM 1634 CG LEU A 104 4.705 -3.394 -9.829 1.00 0.60 C ATOM 1635 CD1 LEU A 104 3.551 -4.040 -10.609 1.00 0.72 C ATOM 1636 CD2 LEU A 104 6.010 -4.121 -10.169 1.00 0.69 C ATOM 0 H LEU A 104 4.880 -1.161 -7.635 1.00 0.54 H new ATOM 0 HA LEU A 104 6.839 -1.468 -9.830 1.00 0.55 H new ATOM 0 HB2 LEU A 104 3.805 -1.438 -9.869 1.00 0.55 H new ATOM 0 HB3 LEU A 104 4.865 -1.763 -11.226 1.00 0.55 H new ATOM 0 HG LEU A 104 4.549 -3.489 -8.754 1.00 0.60 H new ATOM 0 HD11 LEU A 104 3.512 -5.106 -10.384 1.00 0.72 H new ATOM 0 HD12 LEU A 104 2.610 -3.573 -10.319 1.00 0.72 H new ATOM 0 HD13 LEU A 104 3.711 -3.900 -11.678 1.00 0.72 H new ATOM 0 HD21 LEU A 104 5.912 -5.178 -9.924 1.00 0.69 H new ATOM 0 HD22 LEU A 104 6.220 -4.013 -11.233 1.00 0.69 H new ATOM 0 HD23 LEU A 104 6.828 -3.689 -9.592 1.00 0.69 H new ATOM 1648 N PHE A 105 6.959 0.956 -10.192 1.00 0.71 N ATOM 1649 CA PHE A 105 7.155 2.361 -10.532 1.00 0.72 C ATOM 1650 C PHE A 105 7.286 2.583 -12.048 1.00 0.80 C ATOM 1651 O PHE A 105 7.780 1.727 -12.786 1.00 0.97 O ATOM 1652 CB PHE A 105 8.407 2.879 -9.815 1.00 0.84 C ATOM 1653 CG PHE A 105 8.351 2.894 -8.303 1.00 0.84 C ATOM 1654 CD1 PHE A 105 7.713 3.949 -7.629 1.00 1.96 C ATOM 1655 CD2 PHE A 105 8.994 1.879 -7.567 1.00 1.95 C ATOM 1656 CE1 PHE A 105 7.729 3.996 -6.226 1.00 2.07 C ATOM 1657 CE2 PHE A 105 9.020 1.935 -6.166 1.00 1.90 C ATOM 1658 CZ PHE A 105 8.386 2.995 -5.492 1.00 0.98 C ATOM 0 H PHE A 105 7.814 0.408 -10.289 1.00 0.71 H new ATOM 0 HA PHE A 105 6.274 2.913 -10.205 1.00 0.72 H new ATOM 0 HB2 PHE A 105 9.255 2.267 -10.121 1.00 0.84 H new ATOM 0 HB3 PHE A 105 8.605 3.893 -10.161 1.00 0.84 H new ATOM 0 HD1 PHE A 105 7.211 4.723 -8.190 1.00 1.96 H new ATOM 0 HD2 PHE A 105 9.468 1.057 -8.083 1.00 1.95 H new ATOM 0 HE1 PHE A 105 7.234 4.805 -5.709 1.00 2.07 H new ATOM 0 HE2 PHE A 105 9.527 1.164 -5.604 1.00 1.90 H new ATOM 0 HZ PHE A 105 8.405 3.039 -4.413 1.00 0.98 H new ATOM 1668 N ALA A 106 6.895 3.771 -12.517 1.00 0.93 N ATOM 1669 CA ALA A 106 6.924 4.140 -13.935 1.00 1.06 C ATOM 1670 C ALA A 106 8.315 3.990 -14.592 1.00 1.91 C ATOM 1671 O ALA A 106 9.336 4.476 -14.090 1.00 2.79 O ATOM 1672 CB ALA A 106 6.384 5.565 -14.094 1.00 1.09 C ATOM 0 H ALA A 106 6.544 4.515 -11.913 1.00 0.93 H new ATOM 0 HA ALA A 106 6.284 3.436 -14.467 1.00 1.06 H new ATOM 0 HB1 ALA A 106 6.403 5.846 -15.147 1.00 1.09 H new ATOM 0 HB2 ALA A 106 5.359 5.609 -13.725 1.00 1.09 H new ATOM 0 HB3 ALA A 106 7.005 6.255 -13.523 1.00 1.09 H new ATOM 1678 N GLY A 107 8.335 3.334 -15.758 1.00 2.37 N ATOM 1679 CA GLY A 107 9.528 3.135 -16.590 1.00 3.29 C ATOM 1680 C GLY A 107 10.440 2.017 -16.084 1.00 2.90 C ATOM 1681 O GLY A 107 11.605 2.284 -15.791 1.00 3.87 O ATOM 0 H GLY A 107 7.497 2.915 -16.161 1.00 2.37 H new ATOM 0 HA2 GLY A 107 9.217 2.907 -17.610 1.00 3.29 H new ATOM 0 HA3 GLY A 107 10.094 4.066 -16.630 1.00 3.29 H new ATOM 1685 N GLY A 108 9.915 0.791 -15.965 1.00 1.87 N ATOM 1686 CA GLY A 108 10.701 -0.432 -15.715 1.00 1.96 C ATOM 1687 C GLY A 108 11.255 -0.584 -14.296 1.00 1.75 C ATOM 1688 O GLY A 108 12.101 -1.440 -14.055 1.00 2.19 O ATOM 0 H GLY A 108 8.913 0.614 -16.041 1.00 1.87 H new ATOM 0 HA2 GLY A 108 10.075 -1.296 -15.936 1.00 1.96 H new ATOM 0 HA3 GLY A 108 11.535 -0.456 -16.416 1.00 1.96 H new ATOM 1692 N LYS A 109 10.823 0.243 -13.343 1.00 1.27 N ATOM 1693 CA LYS A 109 11.378 0.261 -11.986 1.00 1.22 C ATOM 1694 C LYS A 109 10.571 -0.639 -11.045 1.00 1.09 C ATOM 1695 O LYS A 109 9.425 -0.334 -10.737 1.00 1.13 O ATOM 1696 CB LYS A 109 11.426 1.711 -11.501 1.00 1.12 C ATOM 1697 CG LYS A 109 12.626 2.421 -12.120 1.00 1.39 C ATOM 1698 CD LYS A 109 12.538 3.945 -11.910 1.00 1.52 C ATOM 1699 CE LYS A 109 13.070 4.727 -13.117 1.00 1.89 C ATOM 1700 NZ LYS A 109 12.165 4.591 -14.288 1.00 2.86 N ATOM 0 H LYS A 109 10.076 0.922 -13.490 1.00 1.27 H new ATOM 0 HA LYS A 109 12.391 -0.142 -11.993 1.00 1.22 H new ATOM 0 HB2 LYS A 109 10.505 2.227 -11.774 1.00 1.12 H new ATOM 0 HB3 LYS A 109 11.496 1.739 -10.414 1.00 1.12 H new ATOM 0 HG2 LYS A 109 13.546 2.042 -11.675 1.00 1.39 H new ATOM 0 HG3 LYS A 109 12.673 2.200 -13.186 1.00 1.39 H new ATOM 0 HD2 LYS A 109 11.501 4.225 -11.726 1.00 1.52 H new ATOM 0 HD3 LYS A 109 13.106 4.221 -11.021 1.00 1.52 H new ATOM 0 HE2 LYS A 109 13.173 5.780 -12.854 1.00 1.89 H new ATOM 0 HE3 LYS A 109 14.064 4.365 -13.379 1.00 1.89 H new ATOM 0 HZ1 LYS A 109 12.379 5.337 -14.980 1.00 2.86 H new ATOM 0 HZ2 LYS A 109 12.305 3.659 -14.729 1.00 2.86 H new ATOM 0 HZ3 LYS A 109 11.177 4.681 -13.976 1.00 2.86 H new ATOM 1714 N VAL A 110 11.198 -1.716 -10.588 1.00 1.06 N ATOM 1715 CA VAL A 110 10.610 -2.710 -9.672 1.00 0.94 C ATOM 1716 C VAL A 110 11.519 -2.900 -8.458 1.00 1.07 C ATOM 1717 O VAL A 110 12.737 -2.980 -8.621 1.00 1.24 O ATOM 1718 CB VAL A 110 10.371 -4.069 -10.379 1.00 0.83 C ATOM 1719 CG1 VAL A 110 9.734 -5.108 -9.440 1.00 1.89 C ATOM 1720 CG2 VAL A 110 9.482 -3.894 -11.624 1.00 1.64 C ATOM 0 H VAL A 110 12.160 -1.937 -10.847 1.00 1.06 H new ATOM 0 HA VAL A 110 9.641 -2.333 -9.345 1.00 0.94 H new ATOM 0 HB VAL A 110 11.351 -4.438 -10.681 1.00 0.83 H new ATOM 0 HG11 VAL A 110 9.586 -6.043 -9.980 1.00 1.89 H new ATOM 0 HG12 VAL A 110 10.392 -5.281 -8.588 1.00 1.89 H new ATOM 0 HG13 VAL A 110 8.772 -4.737 -9.086 1.00 1.89 H new ATOM 0 HG21 VAL A 110 9.330 -4.862 -12.101 1.00 1.64 H new ATOM 0 HG22 VAL A 110 8.518 -3.480 -11.328 1.00 1.64 H new ATOM 0 HG23 VAL A 110 9.968 -3.216 -12.326 1.00 1.64 H new ATOM 1730 N LEU A 111 10.934 -2.951 -7.253 1.00 1.06 N ATOM 1731 CA LEU A 111 11.682 -3.062 -5.993 1.00 1.13 C ATOM 1732 C LEU A 111 10.950 -3.955 -4.979 1.00 1.13 C ATOM 1733 O LEU A 111 9.905 -3.574 -4.457 1.00 1.30 O ATOM 1734 CB LEU A 111 11.931 -1.626 -5.477 1.00 1.21 C ATOM 1735 CG LEU A 111 13.014 -1.473 -4.387 1.00 1.53 C ATOM 1736 CD1 LEU A 111 13.380 0.016 -4.272 1.00 2.08 C ATOM 1737 CD2 LEU A 111 12.569 -1.963 -3.002 1.00 2.97 C ATOM 0 H LEU A 111 9.923 -2.916 -7.125 1.00 1.06 H new ATOM 0 HA LEU A 111 12.641 -3.555 -6.151 1.00 1.13 H new ATOM 0 HB2 LEU A 111 12.208 -1.000 -6.325 1.00 1.21 H new ATOM 0 HB3 LEU A 111 10.992 -1.235 -5.085 1.00 1.21 H new ATOM 0 HG LEU A 111 13.859 -2.090 -4.691 1.00 1.53 H new ATOM 0 HD11 LEU A 111 14.145 0.145 -3.506 1.00 2.08 H new ATOM 0 HD12 LEU A 111 13.762 0.372 -5.229 1.00 2.08 H new ATOM 0 HD13 LEU A 111 12.493 0.589 -3.999 1.00 2.08 H new ATOM 0 HD21 LEU A 111 13.381 -1.824 -2.289 1.00 2.97 H new ATOM 0 HD22 LEU A 111 11.699 -1.393 -2.677 1.00 2.97 H new ATOM 0 HD23 LEU A 111 12.310 -3.021 -3.056 1.00 2.97 H new ATOM 1749 N LYS A 112 11.519 -5.125 -4.659 1.00 1.25 N ATOM 1750 CA LYS A 112 10.914 -6.091 -3.729 1.00 1.36 C ATOM 1751 C LYS A 112 11.295 -5.828 -2.254 1.00 1.54 C ATOM 1752 O LYS A 112 12.349 -6.266 -1.791 1.00 2.36 O ATOM 1753 CB LYS A 112 11.260 -7.529 -4.162 1.00 1.50 C ATOM 1754 CG LYS A 112 10.214 -8.530 -3.623 1.00 1.99 C ATOM 1755 CD LYS A 112 10.824 -9.760 -2.947 1.00 2.12 C ATOM 1756 CE LYS A 112 11.425 -9.395 -1.583 1.00 2.95 C ATOM 1757 NZ LYS A 112 11.843 -10.603 -0.835 1.00 3.70 N ATOM 0 H LYS A 112 12.415 -5.430 -5.039 1.00 1.25 H new ATOM 0 HA LYS A 112 9.833 -5.961 -3.779 1.00 1.36 H new ATOM 0 HB2 LYS A 112 11.299 -7.587 -5.250 1.00 1.50 H new ATOM 0 HB3 LYS A 112 12.250 -7.797 -3.793 1.00 1.50 H new ATOM 0 HG2 LYS A 112 9.569 -8.018 -2.909 1.00 1.99 H new ATOM 0 HG3 LYS A 112 9.580 -8.857 -4.447 1.00 1.99 H new ATOM 0 HD2 LYS A 112 10.059 -10.526 -2.818 1.00 2.12 H new ATOM 0 HD3 LYS A 112 11.597 -10.186 -3.587 1.00 2.12 H new ATOM 0 HE2 LYS A 112 12.284 -8.739 -1.726 1.00 2.95 H new ATOM 0 HE3 LYS A 112 10.692 -8.839 -0.998 1.00 2.95 H new ATOM 0 HZ1 LYS A 112 12.118 -10.335 0.132 1.00 3.70 H new ATOM 0 HZ2 LYS A 112 11.053 -11.278 -0.796 1.00 3.70 H new ATOM 0 HZ3 LYS A 112 12.652 -11.046 -1.315 1.00 3.70 H new ATOM 1771 N VAL A 113 10.422 -5.164 -1.505 1.00 0.90 N ATOM 1772 CA VAL A 113 10.495 -4.961 -0.039 1.00 1.06 C ATOM 1773 C VAL A 113 9.998 -6.215 0.716 1.00 1.07 C ATOM 1774 O VAL A 113 9.465 -7.152 0.117 1.00 1.19 O ATOM 1775 CB VAL A 113 9.701 -3.686 0.371 1.00 1.24 C ATOM 1776 CG1 VAL A 113 9.820 -3.267 1.848 1.00 2.13 C ATOM 1777 CG2 VAL A 113 10.164 -2.462 -0.443 1.00 1.65 C ATOM 0 H VAL A 113 9.597 -4.725 -1.913 1.00 0.90 H new ATOM 0 HA VAL A 113 11.537 -4.808 0.242 1.00 1.06 H new ATOM 0 HB VAL A 113 8.668 -3.974 0.176 1.00 1.24 H new ATOM 0 HG11 VAL A 113 9.227 -2.368 2.020 1.00 2.13 H new ATOM 0 HG12 VAL A 113 9.453 -4.072 2.485 1.00 2.13 H new ATOM 0 HG13 VAL A 113 10.864 -3.064 2.086 1.00 2.13 H new ATOM 0 HG21 VAL A 113 9.594 -1.585 -0.137 1.00 1.65 H new ATOM 0 HG22 VAL A 113 11.225 -2.286 -0.264 1.00 1.65 H new ATOM 0 HG23 VAL A 113 10.002 -2.648 -1.505 1.00 1.65 H new ATOM 1787 N VAL A 114 10.160 -6.213 2.041 1.00 1.12 N ATOM 1788 CA VAL A 114 9.549 -7.137 3.011 1.00 1.10 C ATOM 1789 C VAL A 114 9.120 -6.329 4.246 1.00 0.96 C ATOM 1790 O VAL A 114 9.764 -5.327 4.567 1.00 1.05 O ATOM 1791 CB VAL A 114 10.489 -8.317 3.355 1.00 1.50 C ATOM 1792 CG1 VAL A 114 11.746 -7.891 4.133 1.00 1.45 C ATOM 1793 CG2 VAL A 114 9.743 -9.448 4.080 1.00 2.92 C ATOM 0 H VAL A 114 10.758 -5.525 2.498 1.00 1.12 H new ATOM 0 HA VAL A 114 8.665 -7.602 2.574 1.00 1.10 H new ATOM 0 HB VAL A 114 10.839 -8.702 2.397 1.00 1.50 H new ATOM 0 HG11 VAL A 114 12.360 -8.767 4.341 1.00 1.45 H new ATOM 0 HG12 VAL A 114 12.319 -7.180 3.538 1.00 1.45 H new ATOM 0 HG13 VAL A 114 11.451 -7.423 5.072 1.00 1.45 H new ATOM 0 HG21 VAL A 114 10.438 -10.257 4.304 1.00 2.92 H new ATOM 0 HG22 VAL A 114 9.318 -9.067 5.009 1.00 2.92 H new ATOM 0 HG23 VAL A 114 8.943 -9.823 3.442 1.00 2.92 H new ATOM 1803 N LEU A 115 7.981 -6.690 4.845 1.00 0.86 N ATOM 1804 CA LEU A 115 7.264 -5.918 5.863 1.00 0.82 C ATOM 1805 C LEU A 115 6.382 -6.828 6.756 1.00 0.82 C ATOM 1806 O LEU A 115 5.781 -7.783 6.238 1.00 0.92 O ATOM 1807 CB LEU A 115 6.424 -4.787 5.237 1.00 0.97 C ATOM 1808 CG LEU A 115 5.565 -5.145 4.003 1.00 1.26 C ATOM 1809 CD1 LEU A 115 4.306 -4.273 3.970 1.00 2.18 C ATOM 1810 CD2 LEU A 115 6.360 -4.893 2.714 1.00 1.80 C ATOM 0 H LEU A 115 7.513 -7.569 4.623 1.00 0.86 H new ATOM 0 HA LEU A 115 8.020 -5.457 6.499 1.00 0.82 H new ATOM 0 HB2 LEU A 115 5.761 -4.393 6.007 1.00 0.97 H new ATOM 0 HB3 LEU A 115 7.100 -3.980 4.955 1.00 0.97 H new ATOM 0 HG LEU A 115 5.290 -6.198 4.071 1.00 1.26 H new ATOM 0 HD11 LEU A 115 3.707 -4.532 3.097 1.00 2.18 H new ATOM 0 HD12 LEU A 115 3.722 -4.443 4.875 1.00 2.18 H new ATOM 0 HD13 LEU A 115 4.592 -3.223 3.915 1.00 2.18 H new ATOM 0 HD21 LEU A 115 5.745 -5.149 1.851 1.00 1.80 H new ATOM 0 HD22 LEU A 115 6.642 -3.841 2.660 1.00 1.80 H new ATOM 0 HD23 LEU A 115 7.259 -5.510 2.714 1.00 1.80 H new ATOM 1822 N PRO A 116 6.247 -6.524 8.062 1.00 0.87 N ATOM 1823 CA PRO A 116 5.557 -7.386 9.015 1.00 0.90 C ATOM 1824 C PRO A 116 4.030 -7.280 8.948 1.00 0.89 C ATOM 1825 O PRO A 116 3.459 -6.263 8.549 1.00 0.96 O ATOM 1826 CB PRO A 116 6.089 -6.988 10.396 1.00 0.97 C ATOM 1827 CG PRO A 116 6.463 -5.520 10.208 1.00 0.94 C ATOM 1828 CD PRO A 116 6.997 -5.505 8.781 1.00 0.90 C ATOM 0 HA PRO A 116 5.758 -8.432 8.783 1.00 0.90 H new ATOM 0 HB2 PRO A 116 5.334 -7.116 11.172 1.00 0.97 H new ATOM 0 HB3 PRO A 116 6.950 -7.590 10.686 1.00 0.97 H new ATOM 0 HG2 PRO A 116 5.602 -4.862 10.328 1.00 0.94 H new ATOM 0 HG3 PRO A 116 7.215 -5.196 10.928 1.00 0.94 H new ATOM 0 HD2 PRO A 116 6.861 -4.525 8.324 1.00 0.90 H new ATOM 0 HD3 PRO A 116 8.065 -5.720 8.762 1.00 0.90 H new ATOM 1836 N VAL A 117 3.372 -8.352 9.389 1.00 0.91 N ATOM 1837 CA VAL A 117 1.914 -8.447 9.561 1.00 0.92 C ATOM 1838 C VAL A 117 1.546 -8.095 11.007 1.00 0.97 C ATOM 1839 O VAL A 117 2.004 -8.744 11.949 1.00 1.02 O ATOM 1840 CB VAL A 117 1.397 -9.857 9.194 1.00 0.95 C ATOM 1841 CG1 VAL A 117 -0.132 -9.970 9.279 1.00 1.04 C ATOM 1842 CG2 VAL A 117 1.804 -10.249 7.766 1.00 1.00 C ATOM 0 H VAL A 117 3.854 -9.213 9.647 1.00 0.91 H new ATOM 0 HA VAL A 117 1.436 -7.738 8.885 1.00 0.92 H new ATOM 0 HB VAL A 117 1.852 -10.526 9.925 1.00 0.95 H new ATOM 0 HG11 VAL A 117 -0.438 -10.981 9.011 1.00 1.04 H new ATOM 0 HG12 VAL A 117 -0.457 -9.750 10.296 1.00 1.04 H new ATOM 0 HG13 VAL A 117 -0.588 -9.259 8.591 1.00 1.04 H new ATOM 0 HG21 VAL A 117 1.425 -11.246 7.540 1.00 1.00 H new ATOM 0 HG22 VAL A 117 1.386 -9.533 7.059 1.00 1.00 H new ATOM 0 HG23 VAL A 117 2.891 -10.247 7.684 1.00 1.00 H new ATOM 1852 N GLU A 118 0.702 -7.074 11.161 1.00 1.06 N ATOM 1853 CA GLU A 118 0.140 -6.596 12.427 1.00 1.17 C ATOM 1854 C GLU A 118 -1.221 -7.264 12.702 1.00 1.47 C ATOM 1855 O GLU A 118 -1.855 -7.771 11.780 1.00 2.27 O ATOM 1856 CB GLU A 118 0.015 -5.062 12.353 1.00 1.91 C ATOM 1857 CG GLU A 118 0.912 -4.328 13.357 1.00 2.35 C ATOM 1858 CD GLU A 118 0.260 -4.201 14.730 1.00 3.30 C ATOM 1859 OE1 GLU A 118 -0.281 -5.210 15.233 1.00 4.09 O ATOM 1860 OE2 GLU A 118 0.243 -3.065 15.252 1.00 4.13 O ATOM 0 H GLU A 118 0.374 -6.528 10.364 1.00 1.06 H new ATOM 0 HA GLU A 118 0.796 -6.862 13.256 1.00 1.17 H new ATOM 0 HB2 GLU A 118 0.266 -4.733 11.345 1.00 1.91 H new ATOM 0 HB3 GLU A 118 -1.023 -4.781 12.531 1.00 1.91 H new ATOM 0 HG2 GLU A 118 1.857 -4.862 13.454 1.00 2.35 H new ATOM 0 HG3 GLU A 118 1.145 -3.334 12.974 1.00 2.35 H new ATOM 1867 N ALA A 119 -1.684 -7.286 13.955 1.00 1.39 N ATOM 1868 CA ALA A 119 -2.953 -7.928 14.338 1.00 2.02 C ATOM 1869 C ALA A 119 -4.108 -6.911 14.317 1.00 2.45 C ATOM 1870 O ALA A 119 -4.751 -6.660 15.341 1.00 2.84 O ATOM 1871 CB ALA A 119 -2.764 -8.588 15.713 1.00 2.24 C ATOM 0 H ALA A 119 -1.190 -6.858 14.738 1.00 1.39 H new ATOM 0 HA ALA A 119 -3.224 -8.701 13.619 1.00 2.02 H new ATOM 0 HB1 ALA A 119 -3.693 -9.070 16.016 1.00 2.24 H new ATOM 0 HB2 ALA A 119 -1.971 -9.334 15.653 1.00 2.24 H new ATOM 0 HB3 ALA A 119 -2.493 -7.829 16.447 1.00 2.24 H new ATOM 1877 N ARG A 120 -4.309 -6.245 13.171 1.00 2.79 N ATOM 1878 CA ARG A 120 -4.745 -4.836 13.179 1.00 3.07 C ATOM 1879 C ARG A 120 -5.256 -4.310 11.844 1.00 3.42 C ATOM 1880 O ARG A 120 -4.922 -4.916 10.805 1.00 4.26 O ATOM 1881 CB ARG A 120 -3.562 -4.000 13.668 1.00 3.14 C ATOM 1882 CG ARG A 120 -3.943 -2.756 14.471 1.00 3.54 C ATOM 1883 CD ARG A 120 -2.649 -2.264 15.118 1.00 3.45 C ATOM 1884 NE ARG A 120 -2.861 -1.148 16.045 1.00 4.25 N ATOM 1885 CZ ARG A 120 -1.934 -0.698 16.865 1.00 4.98 C ATOM 1886 NH1 ARG A 120 -0.716 -1.138 16.882 1.00 5.22 N ATOM 1887 NH2 ARG A 120 -2.228 0.238 17.718 1.00 6.31 N ATOM 1888 OXT ARG A 120 -5.889 -3.232 11.868 1.00 3.45 O ATOM 0 H ARG A 120 -4.181 -6.647 12.242 1.00 2.79 H new ATOM 0 HA ARG A 120 -5.608 -4.762 13.840 1.00 3.07 H new ATOM 0 HB2 ARG A 120 -2.920 -4.630 14.284 1.00 3.14 H new ATOM 0 HB3 ARG A 120 -2.972 -3.691 12.805 1.00 3.14 H new ATOM 0 HG2 ARG A 120 -4.373 -1.990 13.825 1.00 3.54 H new ATOM 0 HG3 ARG A 120 -4.692 -2.993 15.226 1.00 3.54 H new ATOM 0 HD2 ARG A 120 -2.180 -3.090 15.653 1.00 3.45 H new ATOM 0 HD3 ARG A 120 -1.954 -1.954 14.338 1.00 3.45 H new ATOM 0 HE ARG A 120 -3.775 -0.696 16.055 1.00 4.25 H new ATOM 0 HH11 ARG A 120 -0.430 -1.874 16.236 1.00 5.22 H new ATOM 0 HH12 ARG A 120 -0.042 -0.749 17.542 1.00 5.22 H new ATOM 0 HH21 ARG A 120 -3.173 0.620 17.750 1.00 6.31 H new ATOM 0 HH22 ARG A 120 -1.514 0.590 18.355 1.00 6.31 H new TER 1902 ARG A 120 HETATM 1903 CU CU1 A 121 -8.954 -1.048 0.012 1.00 0.52 CU