USER MOD reduce.3.24.130724 H: found=0, std=0, add=1344, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1346 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 SER OG : rot 180:sc= 1.05 USER MOD Set 1.2: A 46 LYS NZ :NH3+ 142:sc= 2.36 (180deg=0.377) USER MOD Single : A 6 GLN :FLIP amide:sc= -0.362 F(o=-1.6!,f=-0.36) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0633 USER MOD Single : A 9 ASN : amide:sc= -0.254 K(o=-0.25,f=-1.3) USER MOD Single : A 10 LYS NZ :NH3+ -126:sc= 0.963 (180deg=-1.24) USER MOD Single : A 15 LYS NZ :NH3+ 158:sc= 1.31 (180deg=1.05) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 78:sc= 0.967 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 1.2 (180deg=0.951) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 71:sc= 0.413 USER MOD Single : A 39 ASN : amide:sc= 0.569 K(o=0.57,f=-2!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 86:sc= 1.18 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.0985 F(o=-1.7!,f=-0.098) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc=-0.00218 X(o=-0.0022,f=-0.24) USER MOD Single : A 57 LYS NZ :NH3+ -125:sc= -0.332 (180deg=-1.39) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 72:sc= 0.372 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -130:sc= 0.909 (180deg=-0.0378) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 71:sc= 0.834 USER MOD Single : A 76 SER OG : rot 72:sc= 0.963 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 160:sc= -0.0806 (180deg=-0.449) USER MOD Single : A 84 THR OG1 : rot 60:sc= 0.396 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : B 10 LYS NZ :NH3+ 166:sc= 1.28 (180deg=1.11) USER MOD Single : B 15 LYS NZ :NH3+ 128:sc= 1.25 (180deg=1) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 SER OG : rot 70:sc= 1.26 USER MOD Single : B 25 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0142) USER MOD Single : B 26 LYS NZ :NH3+ 156:sc= 1.27 (180deg=1.13) USER MOD Single : B 35 LYS NZ :NH3+ 167:sc= -0.0751 (180deg=-0.375) USER MOD Single : B 37 SER OG : rot 76:sc= 0.509 USER MOD Single : B 39 ASN : amide:sc= 1.08 K(o=1.1,f=-0.87) USER MOD Single : B 42 SER OG : rot 76:sc= 1.27 USER MOD Single : B 44 LYS NZ :NH3+ -129:sc= 2.23 (180deg=-0.952) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 THR OG1 : rot 78:sc= 1.19 USER MOD Single : B 50 GLN : amide:sc= 0.0664 X(o=0.066,f=-0.28) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 56 ASN : amide:sc= 1.11 K(o=1.1,f=-0.15) USER MOD Single : B 57 LYS NZ :NH3+ -175:sc= 0.437 (180deg=0.389) USER MOD Single : B 62 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 THR OG1 : rot 180:sc= 0.0056 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.21) USER MOD Single : B 71 TYR OH : rot 180:sc= -0.203 USER MOD Single : B 73 SER OG : rot 72:sc= 0.583 USER MOD Single : B 76 SER OG : rot 180:sc= 0.0595 USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 80 LYS NZ :NH3+ 158:sc= -0.123 (180deg=-0.551) USER MOD Single : B 84 THR OG1 : rot 66:sc= 0.842 USER MOD Single : B 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N GLN A 6 -21.432 13.579 -5.501 1.00 1.91 N ATOM 78 CA GLN A 6 -21.001 12.196 -5.629 1.00 1.87 C ATOM 79 C GLN A 6 -19.845 12.096 -6.618 1.00 1.83 C ATOM 80 O GLN A 6 -18.883 11.366 -6.390 1.00 1.77 O ATOM 81 CB GLN A 6 -22.153 11.296 -6.092 1.00 1.89 C ATOM 82 CG GLN A 6 -21.739 9.843 -6.272 1.00 1.95 C ATOM 83 CD GLN A 6 -22.648 9.059 -7.208 1.00 1.96 C ATOM 84 OE1 GLN A 6 -23.206 9.723 -8.210 1.00 2.22 O flip ATOM 85 NE2 GLN A 6 -22.832 7.855 -7.039 1.00 2.13 N flip ATOM 0 HA GLN A 6 -20.672 11.856 -4.647 1.00 1.87 H new ATOM 0 HB2 GLN A 6 -22.963 11.349 -5.365 1.00 1.89 H new ATOM 0 HB3 GLN A 6 -22.546 11.675 -7.035 1.00 1.89 H new ATOM 0 HG2 GLN A 6 -20.720 9.810 -6.657 1.00 1.95 H new ATOM 0 HG3 GLN A 6 -21.727 9.354 -5.298 1.00 1.95 H new ATOM 0 HE21 GLN A 6 -22.386 7.376 -6.257 1.00 2.13 H new ATOM 0 HE22 GLN A 6 -23.430 7.335 -7.681 1.00 2.13 H new ATOM 94 N THR A 7 -19.946 12.842 -7.710 1.00 1.86 N ATOM 95 CA THR A 7 -18.912 12.841 -8.734 1.00 1.83 C ATOM 96 C THR A 7 -17.576 13.332 -8.170 1.00 1.79 C ATOM 97 O THR A 7 -16.525 12.744 -8.430 1.00 1.71 O ATOM 98 CB THR A 7 -19.319 13.737 -9.915 1.00 1.88 C ATOM 99 OG1 THR A 7 -20.751 13.801 -10.004 1.00 2.15 O ATOM 100 CG2 THR A 7 -18.742 13.215 -11.226 1.00 1.95 C ATOM 0 H THR A 7 -20.735 13.456 -7.909 1.00 1.86 H new ATOM 0 HA THR A 7 -18.795 11.814 -9.079 1.00 1.83 H new ATOM 0 HB THR A 7 -18.918 14.735 -9.741 1.00 1.88 H new ATOM 0 HG1 THR A 7 -21.007 14.374 -10.757 1.00 2.15 H new ATOM 0 HG21 THR A 7 -19.046 13.869 -12.043 1.00 1.95 H new ATOM 0 HG22 THR A 7 -17.654 13.196 -11.163 1.00 1.95 H new ATOM 0 HG23 THR A 7 -19.112 12.207 -11.411 1.00 1.95 H new ATOM 108 N ARG A 8 -17.631 14.397 -7.371 1.00 1.84 N ATOM 109 CA ARG A 8 -16.428 14.977 -6.774 1.00 1.82 C ATOM 110 C ARG A 8 -15.809 14.040 -5.735 1.00 1.75 C ATOM 111 O ARG A 8 -14.586 13.925 -5.644 1.00 1.69 O ATOM 112 CB ARG A 8 -16.759 16.329 -6.133 1.00 1.94 C ATOM 113 CG ARG A 8 -15.553 17.063 -5.562 1.00 2.03 C ATOM 114 CD ARG A 8 -14.403 17.129 -6.556 1.00 2.06 C ATOM 115 NE ARG A 8 -14.815 17.687 -7.845 1.00 2.06 N ATOM 116 CZ ARG A 8 -14.214 17.423 -9.004 1.00 2.08 C ATOM 117 NH1 ARG A 8 -13.155 16.621 -9.041 1.00 2.10 N ATOM 118 NH2 ARG A 8 -14.672 17.973 -10.122 1.00 2.22 N ATOM 0 H ARG A 8 -18.496 14.876 -7.122 1.00 1.84 H new ATOM 0 HA ARG A 8 -15.697 15.123 -7.569 1.00 1.82 H new ATOM 0 HB2 ARG A 8 -17.237 16.964 -6.879 1.00 1.94 H new ATOM 0 HB3 ARG A 8 -17.485 16.172 -5.336 1.00 1.94 H new ATOM 0 HG2 ARG A 8 -15.845 18.074 -5.278 1.00 2.03 H new ATOM 0 HG3 ARG A 8 -15.219 16.561 -4.654 1.00 2.03 H new ATOM 0 HD2 ARG A 8 -13.600 17.737 -6.139 1.00 2.06 H new ATOM 0 HD3 ARG A 8 -13.999 16.128 -6.708 1.00 2.06 H new ATOM 0 HE ARG A 8 -15.615 18.320 -7.856 1.00 2.06 H new ATOM 0 HH11 ARG A 8 -12.800 16.205 -8.180 1.00 2.10 H new ATOM 0 HH12 ARG A 8 -12.697 16.421 -9.930 1.00 2.10 H new ATOM 0 HH21 ARG A 8 -15.480 18.594 -10.091 1.00 2.22 H new ATOM 0 HH22 ARG A 8 -14.216 17.774 -11.012 1.00 2.22 H new ATOM 132 N ASN A 9 -16.654 13.370 -4.962 1.00 1.76 N ATOM 133 CA ASN A 9 -16.178 12.446 -3.928 1.00 1.72 C ATOM 134 C ASN A 9 -15.512 11.234 -4.570 1.00 1.61 C ATOM 135 O ASN A 9 -14.451 10.783 -4.136 1.00 1.56 O ATOM 136 CB ASN A 9 -17.339 11.996 -3.034 1.00 1.78 C ATOM 137 CG ASN A 9 -16.875 11.215 -1.820 1.00 1.75 C ATOM 138 OD1 ASN A 9 -16.769 9.991 -1.860 1.00 1.75 O ATOM 139 ND2 ASN A 9 -16.598 11.921 -0.728 1.00 1.84 N ATOM 0 H ASN A 9 -17.669 13.445 -5.027 1.00 1.76 H new ATOM 0 HA ASN A 9 -15.445 12.966 -3.311 1.00 1.72 H new ATOM 0 HB2 ASN A 9 -17.899 12.871 -2.705 1.00 1.78 H new ATOM 0 HB3 ASN A 9 -18.023 11.380 -3.617 1.00 1.78 H new ATOM 0 HD21 ASN A 9 -16.284 11.448 0.119 1.00 1.84 H new ATOM 0 HD22 ASN A 9 -16.699 12.936 -0.738 1.00 1.84 H new ATOM 146 N LYS A 10 -16.146 10.735 -5.621 1.00 1.60 N ATOM 147 CA LYS A 10 -15.659 9.585 -6.363 1.00 1.52 C ATOM 148 C LYS A 10 -14.245 9.825 -6.881 1.00 1.47 C ATOM 149 O LYS A 10 -13.359 8.980 -6.731 1.00 1.41 O ATOM 150 CB LYS A 10 -16.600 9.313 -7.537 1.00 1.53 C ATOM 151 CG LYS A 10 -16.346 7.992 -8.242 1.00 1.59 C ATOM 152 CD LYS A 10 -16.927 6.826 -7.461 1.00 1.70 C ATOM 153 CE LYS A 10 -17.098 5.608 -8.346 1.00 2.07 C ATOM 154 NZ LYS A 10 -18.040 5.872 -9.464 1.00 2.48 N ATOM 0 H LYS A 10 -17.018 11.120 -5.984 1.00 1.60 H new ATOM 0 HA LYS A 10 -15.633 8.723 -5.696 1.00 1.52 H new ATOM 0 HB2 LYS A 10 -17.628 9.328 -7.176 1.00 1.53 H new ATOM 0 HB3 LYS A 10 -16.505 10.123 -8.260 1.00 1.53 H new ATOM 0 HG2 LYS A 10 -16.786 8.019 -9.239 1.00 1.59 H new ATOM 0 HG3 LYS A 10 -15.273 7.847 -8.371 1.00 1.59 H new ATOM 0 HD2 LYS A 10 -16.272 6.582 -6.624 1.00 1.70 H new ATOM 0 HD3 LYS A 10 -17.891 7.111 -7.039 1.00 1.70 H new ATOM 0 HE2 LYS A 10 -16.129 5.311 -8.748 1.00 2.07 H new ATOM 0 HE3 LYS A 10 -17.465 4.773 -7.750 1.00 2.07 H new ATOM 0 HZ1 LYS A 10 -18.790 5.151 -9.464 1.00 2.48 H new ATOM 0 HZ2 LYS A 10 -18.465 6.814 -9.345 1.00 2.48 H new ATOM 0 HZ3 LYS A 10 -17.526 5.836 -10.367 1.00 2.48 H new ATOM 168 N GLU A 11 -14.040 10.993 -7.474 1.00 1.52 N ATOM 169 CA GLU A 11 -12.751 11.352 -8.036 1.00 1.50 C ATOM 170 C GLU A 11 -11.715 11.615 -6.939 1.00 1.45 C ATOM 171 O GLU A 11 -10.513 11.451 -7.157 1.00 1.38 O ATOM 172 CB GLU A 11 -12.899 12.585 -8.919 1.00 1.58 C ATOM 173 CG GLU A 11 -11.868 12.653 -10.029 1.00 1.63 C ATOM 174 CD GLU A 11 -11.393 14.060 -10.291 1.00 1.77 C ATOM 175 OE1 GLU A 11 -12.132 14.840 -10.927 1.00 1.96 O ATOM 176 OE2 GLU A 11 -10.266 14.395 -9.872 1.00 1.90 O ATOM 0 H GLU A 11 -14.757 11.711 -7.577 1.00 1.52 H new ATOM 0 HA GLU A 11 -12.398 10.513 -8.635 1.00 1.50 H new ATOM 0 HB2 GLU A 11 -13.897 12.592 -9.358 1.00 1.58 H new ATOM 0 HB3 GLU A 11 -12.817 13.479 -8.300 1.00 1.58 H new ATOM 0 HG2 GLU A 11 -11.015 12.028 -9.766 1.00 1.63 H new ATOM 0 HG3 GLU A 11 -12.295 12.241 -10.943 1.00 1.63 H new ATOM 183 N LEU A 12 -12.189 12.017 -5.764 1.00 1.51 N ATOM 184 CA LEU A 12 -11.310 12.313 -4.639 1.00 1.50 C ATOM 185 C LEU A 12 -10.543 11.073 -4.197 1.00 1.40 C ATOM 186 O LEU A 12 -9.312 11.059 -4.215 1.00 1.33 O ATOM 187 CB LEU A 12 -12.113 12.872 -3.460 1.00 1.62 C ATOM 188 CG LEU A 12 -11.280 13.231 -2.227 1.00 1.65 C ATOM 189 CD1 LEU A 12 -10.509 14.521 -2.462 1.00 1.69 C ATOM 190 CD2 LEU A 12 -12.166 13.353 -0.997 1.00 1.82 C ATOM 0 H LEU A 12 -13.181 12.146 -5.566 1.00 1.51 H new ATOM 0 HA LEU A 12 -10.592 13.063 -4.971 1.00 1.50 H new ATOM 0 HB2 LEU A 12 -12.647 13.763 -3.792 1.00 1.62 H new ATOM 0 HB3 LEU A 12 -12.866 12.138 -3.171 1.00 1.62 H new ATOM 0 HG LEU A 12 -10.563 12.429 -2.052 1.00 1.65 H new ATOM 0 HD11 LEU A 12 -9.922 14.761 -1.575 1.00 1.69 H new ATOM 0 HD12 LEU A 12 -9.842 14.396 -3.315 1.00 1.69 H new ATOM 0 HD13 LEU A 12 -11.209 15.332 -2.664 1.00 1.69 H new ATOM 0 HD21 LEU A 12 -11.554 13.609 -0.132 1.00 1.82 H new ATOM 0 HD22 LEU A 12 -12.909 14.134 -1.160 1.00 1.82 H new ATOM 0 HD23 LEU A 12 -12.671 12.404 -0.817 1.00 1.82 H new ATOM 202 N LEU A 13 -11.273 10.027 -3.819 1.00 1.41 N ATOM 203 CA LEU A 13 -10.644 8.790 -3.363 1.00 1.35 C ATOM 204 C LEU A 13 -9.875 8.121 -4.502 1.00 1.23 C ATOM 205 O LEU A 13 -8.842 7.491 -4.275 1.00 1.18 O ATOM 206 CB LEU A 13 -11.683 7.833 -2.759 1.00 1.43 C ATOM 207 CG LEU A 13 -13.041 7.793 -3.462 1.00 1.43 C ATOM 208 CD1 LEU A 13 -13.209 6.491 -4.221 1.00 1.81 C ATOM 209 CD2 LEU A 13 -14.167 7.973 -2.456 1.00 1.76 C ATOM 0 H LEU A 13 -12.293 10.010 -3.819 1.00 1.41 H new ATOM 0 HA LEU A 13 -9.931 9.043 -2.578 1.00 1.35 H new ATOM 0 HB2 LEU A 13 -11.265 6.826 -2.760 1.00 1.43 H new ATOM 0 HB3 LEU A 13 -11.843 8.111 -1.717 1.00 1.43 H new ATOM 0 HG LEU A 13 -13.083 8.615 -4.176 1.00 1.43 H new ATOM 0 HD11 LEU A 13 -14.181 6.480 -4.715 1.00 1.81 H new ATOM 0 HD12 LEU A 13 -12.421 6.402 -4.969 1.00 1.81 H new ATOM 0 HD13 LEU A 13 -13.146 5.654 -3.526 1.00 1.81 H new ATOM 0 HD21 LEU A 13 -15.126 7.942 -2.974 1.00 1.76 H new ATOM 0 HD22 LEU A 13 -14.127 7.172 -1.718 1.00 1.76 H new ATOM 0 HD23 LEU A 13 -14.057 8.934 -1.954 1.00 1.76 H new ATOM 221 N LEU A 14 -10.373 8.282 -5.725 1.00 1.21 N ATOM 222 CA LEU A 14 -9.731 7.713 -6.912 1.00 1.13 C ATOM 223 C LEU A 14 -8.325 8.289 -7.090 1.00 1.11 C ATOM 224 O LEU A 14 -7.350 7.554 -7.275 1.00 1.04 O ATOM 225 CB LEU A 14 -10.582 8.015 -8.151 1.00 1.16 C ATOM 226 CG LEU A 14 -9.886 7.816 -9.504 1.00 1.09 C ATOM 227 CD1 LEU A 14 -9.707 6.338 -9.816 1.00 1.11 C ATOM 228 CD2 LEU A 14 -10.674 8.503 -10.609 1.00 1.23 C ATOM 0 H LEU A 14 -11.226 8.806 -5.923 1.00 1.21 H new ATOM 0 HA LEU A 14 -9.648 6.634 -6.784 1.00 1.13 H new ATOM 0 HB2 LEU A 14 -11.468 7.381 -8.123 1.00 1.16 H new ATOM 0 HB3 LEU A 14 -10.926 9.047 -8.089 1.00 1.16 H new ATOM 0 HG LEU A 14 -8.896 8.269 -9.446 1.00 1.09 H new ATOM 0 HD11 LEU A 14 -9.211 6.227 -10.780 1.00 1.11 H new ATOM 0 HD12 LEU A 14 -9.099 5.873 -9.040 1.00 1.11 H new ATOM 0 HD13 LEU A 14 -10.682 5.853 -9.852 1.00 1.11 H new ATOM 0 HD21 LEU A 14 -10.169 8.354 -11.563 1.00 1.23 H new ATOM 0 HD22 LEU A 14 -11.677 8.078 -10.659 1.00 1.23 H new ATOM 0 HD23 LEU A 14 -10.742 9.570 -10.398 1.00 1.23 H new ATOM 240 N LYS A 15 -8.238 9.608 -7.014 1.00 1.19 N ATOM 241 CA LYS A 15 -6.975 10.321 -7.166 1.00 1.19 C ATOM 242 C LYS A 15 -5.975 9.930 -6.081 1.00 1.14 C ATOM 243 O LYS A 15 -4.776 9.805 -6.341 1.00 1.09 O ATOM 244 CB LYS A 15 -7.236 11.824 -7.126 1.00 1.32 C ATOM 245 CG LYS A 15 -6.118 12.673 -7.714 1.00 1.56 C ATOM 246 CD LYS A 15 -6.676 13.927 -8.376 1.00 1.68 C ATOM 247 CE LYS A 15 -7.578 14.713 -7.432 1.00 1.70 C ATOM 248 NZ LYS A 15 -8.571 15.545 -8.168 1.00 1.93 N ATOM 0 H LYS A 15 -9.039 10.216 -6.845 1.00 1.19 H new ATOM 0 HA LYS A 15 -6.539 10.047 -8.127 1.00 1.19 H new ATOM 0 HB2 LYS A 15 -8.158 12.035 -7.667 1.00 1.32 H new ATOM 0 HB3 LYS A 15 -7.398 12.125 -6.091 1.00 1.32 H new ATOM 0 HG2 LYS A 15 -5.417 12.954 -6.928 1.00 1.56 H new ATOM 0 HG3 LYS A 15 -5.559 12.089 -8.445 1.00 1.56 H new ATOM 0 HD2 LYS A 15 -5.853 14.562 -8.704 1.00 1.68 H new ATOM 0 HD3 LYS A 15 -7.238 13.648 -9.267 1.00 1.68 H new ATOM 0 HE2 LYS A 15 -8.103 14.021 -6.773 1.00 1.70 H new ATOM 0 HE3 LYS A 15 -6.967 15.355 -6.798 1.00 1.70 H new ATOM 0 HZ1 LYS A 15 -9.375 15.759 -7.544 1.00 1.93 H new ATOM 0 HZ2 LYS A 15 -8.123 16.433 -8.472 1.00 1.93 H new ATOM 0 HZ3 LYS A 15 -8.909 15.025 -9.002 1.00 1.93 H new ATOM 262 N LYS A 16 -6.471 9.733 -4.867 1.00 1.17 N ATOM 263 CA LYS A 16 -5.606 9.357 -3.757 1.00 1.16 C ATOM 264 C LYS A 16 -5.098 7.927 -3.932 1.00 1.04 C ATOM 265 O LYS A 16 -3.969 7.617 -3.556 1.00 1.05 O ATOM 266 CB LYS A 16 -6.327 9.509 -2.413 1.00 1.26 C ATOM 267 CG LYS A 16 -6.944 10.884 -2.183 1.00 1.32 C ATOM 268 CD LYS A 16 -5.989 12.021 -2.523 1.00 1.30 C ATOM 269 CE LYS A 16 -4.886 12.179 -1.487 1.00 1.50 C ATOM 270 NZ LYS A 16 -3.884 13.209 -1.882 1.00 1.62 N ATOM 0 H LYS A 16 -7.458 9.826 -4.627 1.00 1.17 H new ATOM 0 HA LYS A 16 -4.751 10.033 -3.757 1.00 1.16 H new ATOM 0 HB2 LYS A 16 -7.112 8.756 -2.348 1.00 1.26 H new ATOM 0 HB3 LYS A 16 -5.620 9.302 -1.610 1.00 1.26 H new ATOM 0 HG2 LYS A 16 -7.846 10.979 -2.788 1.00 1.32 H new ATOM 0 HG3 LYS A 16 -7.249 10.971 -1.140 1.00 1.32 H new ATOM 0 HD2 LYS A 16 -5.543 11.837 -3.500 1.00 1.30 H new ATOM 0 HD3 LYS A 16 -6.549 12.953 -2.599 1.00 1.30 H new ATOM 0 HE2 LYS A 16 -5.327 12.453 -0.529 1.00 1.50 H new ATOM 0 HE3 LYS A 16 -4.384 11.222 -1.345 1.00 1.50 H new ATOM 0 HZ1 LYS A 16 -3.152 13.282 -1.146 1.00 1.62 H new ATOM 0 HZ2 LYS A 16 -3.443 12.936 -2.783 1.00 1.62 H new ATOM 0 HZ3 LYS A 16 -4.357 14.129 -1.992 1.00 1.62 H new ATOM 284 N ILE A 17 -5.925 7.065 -4.518 1.00 0.96 N ATOM 285 CA ILE A 17 -5.535 5.674 -4.753 1.00 0.88 C ATOM 286 C ILE A 17 -4.434 5.609 -5.815 1.00 0.85 C ATOM 287 O ILE A 17 -3.438 4.900 -5.650 1.00 0.83 O ATOM 288 CB ILE A 17 -6.756 4.795 -5.168 1.00 0.85 C ATOM 289 CG1 ILE A 17 -7.262 3.990 -3.971 1.00 1.01 C ATOM 290 CG2 ILE A 17 -6.413 3.849 -6.317 1.00 0.89 C ATOM 291 CD1 ILE A 17 -8.697 4.287 -3.600 1.00 1.02 C ATOM 0 H ILE A 17 -6.864 7.301 -4.838 1.00 0.96 H new ATOM 0 HA ILE A 17 -5.149 5.270 -3.817 1.00 0.88 H new ATOM 0 HB ILE A 17 -7.539 5.470 -5.512 1.00 0.85 H new ATOM 0 HG12 ILE A 17 -7.166 2.927 -4.193 1.00 1.01 H new ATOM 0 HG13 ILE A 17 -6.624 4.195 -3.111 1.00 1.01 H new ATOM 0 HG21 ILE A 17 -7.291 3.256 -6.574 1.00 0.89 H new ATOM 0 HG22 ILE A 17 -6.100 4.429 -7.185 1.00 0.89 H new ATOM 0 HG23 ILE A 17 -5.603 3.186 -6.013 1.00 0.89 H new ATOM 0 HD11 ILE A 17 -8.985 3.678 -2.743 1.00 1.02 H new ATOM 0 HD12 ILE A 17 -8.796 5.342 -3.346 1.00 1.02 H new ATOM 0 HD13 ILE A 17 -9.347 4.055 -4.444 1.00 1.02 H new ATOM 303 N ASP A 18 -4.610 6.376 -6.890 1.00 0.90 N ATOM 304 CA ASP A 18 -3.640 6.425 -7.981 1.00 0.93 C ATOM 305 C ASP A 18 -2.286 6.907 -7.472 1.00 0.93 C ATOM 306 O ASP A 18 -1.235 6.399 -7.872 1.00 0.93 O ATOM 307 CB ASP A 18 -4.157 7.352 -9.089 1.00 1.04 C ATOM 308 CG ASP A 18 -3.089 7.754 -10.085 1.00 1.20 C ATOM 309 OD1 ASP A 18 -2.429 6.862 -10.659 1.00 1.66 O ATOM 310 OD2 ASP A 18 -2.912 8.973 -10.311 1.00 1.62 O ATOM 0 H ASP A 18 -5.423 6.976 -7.028 1.00 0.90 H new ATOM 0 HA ASP A 18 -3.512 5.421 -8.387 1.00 0.93 H new ATOM 0 HB2 ASP A 18 -4.969 6.854 -9.619 1.00 1.04 H new ATOM 0 HB3 ASP A 18 -4.576 8.250 -8.635 1.00 1.04 H new ATOM 315 N SER A 19 -2.326 7.877 -6.574 1.00 0.99 N ATOM 316 CA SER A 19 -1.115 8.433 -5.993 1.00 1.03 C ATOM 317 C SER A 19 -0.405 7.419 -5.106 1.00 0.96 C ATOM 318 O SER A 19 0.823 7.374 -5.079 1.00 0.96 O ATOM 319 CB SER A 19 -1.451 9.684 -5.182 1.00 1.17 C ATOM 320 OG SER A 19 -2.092 10.656 -5.991 1.00 1.28 O ATOM 0 H SER A 19 -3.189 8.298 -6.230 1.00 0.99 H new ATOM 0 HA SER A 19 -0.443 8.696 -6.810 1.00 1.03 H new ATOM 0 HB2 SER A 19 -2.098 9.417 -4.346 1.00 1.17 H new ATOM 0 HB3 SER A 19 -0.538 10.103 -4.758 1.00 1.17 H new ATOM 0 HG SER A 19 -3.030 10.404 -6.124 1.00 1.28 H new ATOM 326 N LEU A 20 -1.181 6.602 -4.398 1.00 0.92 N ATOM 327 CA LEU A 20 -0.625 5.595 -3.501 1.00 0.90 C ATOM 328 C LEU A 20 0.265 4.609 -4.257 1.00 0.84 C ATOM 329 O LEU A 20 1.424 4.405 -3.894 1.00 0.86 O ATOM 330 CB LEU A 20 -1.761 4.848 -2.786 1.00 0.92 C ATOM 331 CG LEU A 20 -1.432 3.423 -2.328 1.00 1.01 C ATOM 332 CD1 LEU A 20 -0.331 3.432 -1.282 1.00 1.37 C ATOM 333 CD2 LEU A 20 -2.682 2.736 -1.804 1.00 1.14 C ATOM 0 H LEU A 20 -2.200 6.619 -4.429 1.00 0.92 H new ATOM 0 HA LEU A 20 -0.006 6.102 -2.761 1.00 0.90 H new ATOM 0 HB2 LEU A 20 -2.062 5.430 -1.915 1.00 0.92 H new ATOM 0 HB3 LEU A 20 -2.621 4.806 -3.454 1.00 0.92 H new ATOM 0 HG LEU A 20 -1.067 2.858 -3.186 1.00 1.01 H new ATOM 0 HD11 LEU A 20 -0.115 2.409 -0.972 1.00 1.37 H new ATOM 0 HD12 LEU A 20 0.568 3.881 -1.704 1.00 1.37 H new ATOM 0 HD13 LEU A 20 -0.655 4.012 -0.418 1.00 1.37 H new ATOM 0 HD21 LEU A 20 -2.434 1.725 -1.482 1.00 1.14 H new ATOM 0 HD22 LEU A 20 -3.079 3.298 -0.959 1.00 1.14 H new ATOM 0 HD23 LEU A 20 -3.431 2.691 -2.594 1.00 1.14 H new ATOM 345 N ILE A 21 -0.267 4.026 -5.321 1.00 0.80 N ATOM 346 CA ILE A 21 0.495 3.063 -6.106 1.00 0.79 C ATOM 347 C ILE A 21 1.675 3.732 -6.803 1.00 0.81 C ATOM 348 O ILE A 21 2.718 3.113 -6.996 1.00 0.83 O ATOM 349 CB ILE A 21 -0.379 2.322 -7.144 1.00 0.81 C ATOM 350 CG1 ILE A 21 -1.308 3.295 -7.873 1.00 1.06 C ATOM 351 CG2 ILE A 21 -1.184 1.222 -6.466 1.00 1.04 C ATOM 352 CD1 ILE A 21 -2.030 2.676 -9.052 1.00 1.23 C ATOM 0 H ILE A 21 -1.214 4.200 -5.659 1.00 0.80 H new ATOM 0 HA ILE A 21 0.871 2.322 -5.401 1.00 0.79 H new ATOM 0 HB ILE A 21 0.280 1.868 -7.884 1.00 0.81 H new ATOM 0 HG12 ILE A 21 -2.045 3.679 -7.167 1.00 1.06 H new ATOM 0 HG13 ILE A 21 -0.726 4.148 -8.221 1.00 1.06 H new ATOM 0 HG21 ILE A 21 -1.795 0.708 -7.208 1.00 1.04 H new ATOM 0 HG22 ILE A 21 -0.505 0.509 -5.999 1.00 1.04 H new ATOM 0 HG23 ILE A 21 -1.830 1.660 -5.705 1.00 1.04 H new ATOM 0 HD11 ILE A 21 -2.670 3.424 -9.520 1.00 1.23 H new ATOM 0 HD12 ILE A 21 -1.300 2.317 -9.778 1.00 1.23 H new ATOM 0 HD13 ILE A 21 -2.640 1.841 -8.708 1.00 1.23 H new ATOM 364 N GLU A 22 1.509 4.994 -7.178 1.00 0.84 N ATOM 365 CA GLU A 22 2.575 5.735 -7.839 1.00 0.90 C ATOM 366 C GLU A 22 3.724 6.022 -6.879 1.00 0.90 C ATOM 367 O GLU A 22 4.891 5.789 -7.203 1.00 0.93 O ATOM 368 CB GLU A 22 2.032 7.039 -8.424 1.00 0.98 C ATOM 369 CG GLU A 22 1.670 6.926 -9.893 1.00 1.29 C ATOM 370 CD GLU A 22 2.746 6.212 -10.682 1.00 1.78 C ATOM 371 OE1 GLU A 22 3.890 6.714 -10.721 1.00 2.29 O ATOM 372 OE2 GLU A 22 2.460 5.143 -11.256 1.00 2.22 O ATOM 0 H GLU A 22 0.649 5.524 -7.036 1.00 0.84 H new ATOM 0 HA GLU A 22 2.961 5.118 -8.651 1.00 0.90 H new ATOM 0 HB2 GLU A 22 1.150 7.344 -7.861 1.00 0.98 H new ATOM 0 HB3 GLU A 22 2.777 7.825 -8.299 1.00 0.98 H new ATOM 0 HG2 GLU A 22 0.727 6.389 -9.995 1.00 1.29 H new ATOM 0 HG3 GLU A 22 1.516 7.922 -10.307 1.00 1.29 H new ATOM 379 N ALA A 23 3.390 6.524 -5.694 1.00 0.89 N ATOM 380 CA ALA A 23 4.391 6.852 -4.688 1.00 0.92 C ATOM 381 C ALA A 23 5.114 5.602 -4.210 1.00 0.88 C ATOM 382 O ALA A 23 6.338 5.584 -4.118 1.00 0.89 O ATOM 383 CB ALA A 23 3.744 7.576 -3.519 1.00 0.94 C ATOM 0 H ALA A 23 2.429 6.713 -5.407 1.00 0.89 H new ATOM 0 HA ALA A 23 5.129 7.513 -5.143 1.00 0.92 H new ATOM 0 HB1 ALA A 23 4.503 7.815 -2.774 1.00 0.94 H new ATOM 0 HB2 ALA A 23 3.280 8.497 -3.873 1.00 0.94 H new ATOM 0 HB3 ALA A 23 2.984 6.936 -3.070 1.00 0.94 H new ATOM 389 N ILE A 24 4.350 4.553 -3.925 1.00 0.86 N ATOM 390 CA ILE A 24 4.920 3.294 -3.454 1.00 0.85 C ATOM 391 C ILE A 24 5.872 2.710 -4.498 1.00 0.83 C ATOM 392 O ILE A 24 6.898 2.118 -4.159 1.00 0.83 O ATOM 393 CB ILE A 24 3.805 2.282 -3.061 1.00 0.87 C ATOM 394 CG1 ILE A 24 4.027 1.780 -1.629 1.00 1.12 C ATOM 395 CG2 ILE A 24 3.722 1.106 -4.032 1.00 1.03 C ATOM 396 CD1 ILE A 24 3.853 2.850 -0.570 1.00 1.05 C ATOM 0 H ILE A 24 3.334 4.549 -4.012 1.00 0.86 H new ATOM 0 HA ILE A 24 5.499 3.497 -2.553 1.00 0.85 H new ATOM 0 HB ILE A 24 2.853 2.810 -3.115 1.00 0.87 H new ATOM 0 HG12 ILE A 24 3.330 0.966 -1.427 1.00 1.12 H new ATOM 0 HG13 ILE A 24 5.032 1.366 -1.551 1.00 1.12 H new ATOM 0 HG21 ILE A 24 2.930 0.428 -3.715 1.00 1.03 H new ATOM 0 HG22 ILE A 24 3.504 1.476 -5.034 1.00 1.03 H new ATOM 0 HG23 ILE A 24 4.673 0.574 -4.041 1.00 1.03 H new ATOM 0 HD11 ILE A 24 4.026 2.418 0.416 1.00 1.05 H new ATOM 0 HD12 ILE A 24 4.568 3.654 -0.744 1.00 1.05 H new ATOM 0 HD13 ILE A 24 2.840 3.249 -0.619 1.00 1.05 H new ATOM 408 N LYS A 25 5.540 2.910 -5.772 1.00 0.83 N ATOM 409 CA LYS A 25 6.370 2.422 -6.861 1.00 0.84 C ATOM 410 C LYS A 25 7.672 3.212 -6.930 1.00 0.86 C ATOM 411 O LYS A 25 8.731 2.661 -7.226 1.00 0.86 O ATOM 412 CB LYS A 25 5.618 2.520 -8.193 1.00 0.88 C ATOM 413 CG LYS A 25 6.476 2.227 -9.416 1.00 0.96 C ATOM 414 CD LYS A 25 6.966 0.787 -9.430 1.00 1.13 C ATOM 415 CE LYS A 25 8.005 0.568 -10.514 1.00 1.39 C ATOM 416 NZ LYS A 25 8.406 -0.859 -10.623 1.00 1.61 N ATOM 0 H LYS A 25 4.701 3.407 -6.071 1.00 0.83 H new ATOM 0 HA LYS A 25 6.607 1.375 -6.673 1.00 0.84 H new ATOM 0 HB2 LYS A 25 4.779 1.824 -8.176 1.00 0.88 H new ATOM 0 HB3 LYS A 25 5.199 3.522 -8.288 1.00 0.88 H new ATOM 0 HG2 LYS A 25 5.900 2.424 -10.320 1.00 0.96 H new ATOM 0 HG3 LYS A 25 7.331 2.902 -9.430 1.00 0.96 H new ATOM 0 HD2 LYS A 25 7.393 0.536 -8.459 1.00 1.13 H new ATOM 0 HD3 LYS A 25 6.123 0.115 -9.591 1.00 1.13 H new ATOM 0 HE2 LYS A 25 7.607 0.907 -11.471 1.00 1.39 H new ATOM 0 HE3 LYS A 25 8.884 1.176 -10.301 1.00 1.39 H new ATOM 0 HZ1 LYS A 25 9.117 -0.963 -11.375 1.00 1.61 H new ATOM 0 HZ2 LYS A 25 8.810 -1.176 -9.719 1.00 1.61 H new ATOM 0 HZ3 LYS A 25 7.572 -1.437 -10.852 1.00 1.61 H new ATOM 430 N LYS A 26 7.593 4.503 -6.639 1.00 0.87 N ATOM 431 CA LYS A 26 8.774 5.350 -6.671 1.00 0.91 C ATOM 432 C LYS A 26 9.678 5.041 -5.481 1.00 0.90 C ATOM 433 O LYS A 26 10.895 4.981 -5.624 1.00 0.91 O ATOM 434 CB LYS A 26 8.382 6.830 -6.674 1.00 0.97 C ATOM 435 CG LYS A 26 8.960 7.609 -7.845 1.00 1.07 C ATOM 436 CD LYS A 26 10.477 7.673 -7.771 1.00 1.21 C ATOM 437 CE LYS A 26 11.085 8.066 -9.108 1.00 1.35 C ATOM 438 NZ LYS A 26 12.538 8.374 -9.000 1.00 1.42 N ATOM 0 H LYS A 26 6.731 4.982 -6.380 1.00 0.87 H new ATOM 0 HA LYS A 26 9.321 5.141 -7.590 1.00 0.91 H new ATOM 0 HB2 LYS A 26 7.295 6.910 -6.696 1.00 0.97 H new ATOM 0 HB3 LYS A 26 8.716 7.288 -5.743 1.00 0.97 H new ATOM 0 HG2 LYS A 26 8.659 7.139 -8.781 1.00 1.07 H new ATOM 0 HG3 LYS A 26 8.551 8.619 -7.850 1.00 1.07 H new ATOM 0 HD2 LYS A 26 10.775 8.393 -7.009 1.00 1.21 H new ATOM 0 HD3 LYS A 26 10.868 6.703 -7.463 1.00 1.21 H new ATOM 0 HE2 LYS A 26 10.940 7.256 -9.823 1.00 1.35 H new ATOM 0 HE3 LYS A 26 10.560 8.936 -9.502 1.00 1.35 H new ATOM 0 HZ1 LYS A 26 12.937 8.504 -9.952 1.00 1.42 H new ATOM 0 HZ2 LYS A 26 12.668 9.246 -8.448 1.00 1.42 H new ATOM 0 HZ3 LYS A 26 13.025 7.588 -8.525 1.00 1.42 H new ATOM 452 N ILE A 27 9.070 4.829 -4.317 1.00 0.88 N ATOM 453 CA ILE A 27 9.812 4.522 -3.095 1.00 0.89 C ATOM 454 C ILE A 27 10.715 3.300 -3.289 1.00 0.87 C ATOM 455 O ILE A 27 11.898 3.336 -2.957 1.00 0.90 O ATOM 456 CB ILE A 27 8.852 4.277 -1.907 1.00 0.90 C ATOM 457 CG1 ILE A 27 8.089 5.555 -1.551 1.00 0.90 C ATOM 458 CG2 ILE A 27 9.605 3.756 -0.691 1.00 0.93 C ATOM 459 CD1 ILE A 27 8.978 6.704 -1.120 1.00 1.31 C ATOM 0 H ILE A 27 8.058 4.864 -4.193 1.00 0.88 H new ATOM 0 HA ILE A 27 10.436 5.387 -2.870 1.00 0.89 H new ATOM 0 HB ILE A 27 8.133 3.518 -2.214 1.00 0.90 H new ATOM 0 HG12 ILE A 27 7.502 5.868 -2.414 1.00 0.90 H new ATOM 0 HG13 ILE A 27 7.384 5.334 -0.749 1.00 0.90 H new ATOM 0 HG21 ILE A 27 8.905 3.593 0.128 1.00 0.93 H new ATOM 0 HG22 ILE A 27 10.095 2.815 -0.942 1.00 0.93 H new ATOM 0 HG23 ILE A 27 10.355 4.486 -0.387 1.00 0.93 H new ATOM 0 HD11 ILE A 27 8.362 7.572 -0.885 1.00 1.31 H new ATOM 0 HD12 ILE A 27 9.547 6.413 -0.237 1.00 1.31 H new ATOM 0 HD13 ILE A 27 9.666 6.955 -1.928 1.00 1.31 H new ATOM 471 N ILE A 28 10.156 2.228 -3.842 1.00 0.83 N ATOM 472 CA ILE A 28 10.921 1.006 -4.069 1.00 0.82 C ATOM 473 C ILE A 28 12.013 1.226 -5.121 1.00 0.83 C ATOM 474 O ILE A 28 13.100 0.648 -5.035 1.00 0.84 O ATOM 475 CB ILE A 28 10.009 -0.183 -4.468 1.00 0.82 C ATOM 476 CG1 ILE A 28 10.775 -1.502 -4.360 1.00 0.88 C ATOM 477 CG2 ILE A 28 9.442 -0.014 -5.873 1.00 0.88 C ATOM 478 CD1 ILE A 28 11.064 -1.924 -2.933 1.00 1.05 C ATOM 0 H ILE A 28 9.182 2.180 -4.140 1.00 0.83 H new ATOM 0 HA ILE A 28 11.400 0.749 -3.124 1.00 0.82 H new ATOM 0 HB ILE A 28 9.169 -0.201 -3.773 1.00 0.82 H new ATOM 0 HG12 ILE A 28 10.201 -2.287 -4.852 1.00 0.88 H new ATOM 0 HG13 ILE A 28 11.717 -1.410 -4.900 1.00 0.88 H new ATOM 0 HG21 ILE A 28 8.809 -0.867 -6.115 1.00 0.88 H new ATOM 0 HG22 ILE A 28 8.851 0.901 -5.919 1.00 0.88 H new ATOM 0 HG23 ILE A 28 10.260 0.046 -6.591 1.00 0.88 H new ATOM 0 HD11 ILE A 28 11.609 -2.868 -2.936 1.00 1.05 H new ATOM 0 HD12 ILE A 28 11.665 -1.159 -2.442 1.00 1.05 H new ATOM 0 HD13 ILE A 28 10.125 -2.049 -2.393 1.00 1.05 H new ATOM 490 N ALA A 29 11.726 2.072 -6.108 1.00 0.84 N ATOM 491 CA ALA A 29 12.685 2.365 -7.162 1.00 0.87 C ATOM 492 C ALA A 29 13.905 3.085 -6.595 1.00 0.90 C ATOM 493 O ALA A 29 15.044 2.728 -6.902 1.00 0.93 O ATOM 494 CB ALA A 29 12.038 3.193 -8.266 1.00 0.90 C ATOM 0 H ALA A 29 10.837 2.564 -6.197 1.00 0.84 H new ATOM 0 HA ALA A 29 13.015 1.420 -7.594 1.00 0.87 H new ATOM 0 HB1 ALA A 29 12.773 3.400 -9.044 1.00 0.90 H new ATOM 0 HB2 ALA A 29 11.203 2.639 -8.695 1.00 0.90 H new ATOM 0 HB3 ALA A 29 11.674 4.133 -7.850 1.00 0.90 H new ATOM 500 N GLU A 30 13.657 4.081 -5.749 1.00 0.93 N ATOM 501 CA GLU A 30 14.729 4.851 -5.125 1.00 0.99 C ATOM 502 C GLU A 30 15.612 3.945 -4.276 1.00 0.99 C ATOM 503 O GLU A 30 16.821 4.148 -4.195 1.00 1.01 O ATOM 504 CB GLU A 30 14.156 5.969 -4.249 1.00 1.06 C ATOM 505 CG GLU A 30 13.205 6.908 -4.976 1.00 1.10 C ATOM 506 CD GLU A 30 13.845 7.590 -6.165 1.00 1.18 C ATOM 507 OE1 GLU A 30 13.892 6.983 -7.253 1.00 1.25 O ATOM 508 OE2 GLU A 30 14.275 8.756 -6.025 1.00 1.46 O ATOM 0 H GLU A 30 12.718 4.375 -5.479 1.00 0.93 H new ATOM 0 HA GLU A 30 15.328 5.295 -5.920 1.00 0.99 H new ATOM 0 HB2 GLU A 30 13.631 5.521 -3.405 1.00 1.06 H new ATOM 0 HB3 GLU A 30 14.981 6.552 -3.838 1.00 1.06 H new ATOM 0 HG2 GLU A 30 12.334 6.346 -5.312 1.00 1.10 H new ATOM 0 HG3 GLU A 30 12.847 7.665 -4.279 1.00 1.10 H new ATOM 515 N PHE A 31 14.998 2.944 -3.650 1.00 0.97 N ATOM 516 CA PHE A 31 15.727 2.001 -2.812 1.00 1.00 C ATOM 517 C PHE A 31 16.817 1.307 -3.616 1.00 0.97 C ATOM 518 O PHE A 31 17.936 1.145 -3.140 1.00 1.00 O ATOM 519 CB PHE A 31 14.777 0.959 -2.212 1.00 1.02 C ATOM 520 CG PHE A 31 14.167 1.368 -0.902 1.00 1.10 C ATOM 521 CD1 PHE A 31 13.903 2.703 -0.622 1.00 1.42 C ATOM 522 CD2 PHE A 31 13.850 0.413 0.045 1.00 1.79 C ATOM 523 CE1 PHE A 31 13.337 3.072 0.582 1.00 1.58 C ATOM 524 CE2 PHE A 31 13.283 0.776 1.251 1.00 1.98 C ATOM 525 CZ PHE A 31 13.025 2.107 1.519 1.00 1.54 C ATOM 0 H PHE A 31 13.995 2.766 -3.709 1.00 0.97 H new ATOM 0 HA PHE A 31 16.189 2.560 -1.998 1.00 1.00 H new ATOM 0 HB2 PHE A 31 13.978 0.758 -2.926 1.00 1.02 H new ATOM 0 HB3 PHE A 31 15.321 0.025 -2.071 1.00 1.02 H new ATOM 0 HD1 PHE A 31 14.143 3.460 -1.354 1.00 1.42 H new ATOM 0 HD2 PHE A 31 14.048 -0.629 -0.160 1.00 1.79 H new ATOM 0 HE1 PHE A 31 13.139 4.113 0.790 1.00 1.58 H new ATOM 0 HE2 PHE A 31 13.041 0.020 1.984 1.00 1.98 H new ATOM 0 HZ PHE A 31 12.580 2.392 2.461 1.00 1.54 H new ATOM 535 N ASP A 32 16.488 0.914 -4.840 1.00 0.93 N ATOM 536 CA ASP A 32 17.453 0.244 -5.707 1.00 0.92 C ATOM 537 C ASP A 32 18.494 1.233 -6.213 1.00 0.92 C ATOM 538 O ASP A 32 19.688 0.931 -6.247 1.00 0.93 O ATOM 539 CB ASP A 32 16.754 -0.415 -6.898 1.00 0.94 C ATOM 540 CG ASP A 32 17.676 -1.331 -7.686 1.00 1.15 C ATOM 541 OD1 ASP A 32 18.351 -0.854 -8.623 1.00 1.45 O ATOM 542 OD2 ASP A 32 17.719 -2.540 -7.378 1.00 1.54 O ATOM 0 H ASP A 32 15.565 1.046 -5.255 1.00 0.93 H new ATOM 0 HA ASP A 32 17.948 -0.528 -5.118 1.00 0.92 H new ATOM 0 HB2 ASP A 32 15.898 -0.988 -6.540 1.00 0.94 H new ATOM 0 HB3 ASP A 32 16.365 0.359 -7.560 1.00 0.94 H new ATOM 547 N VAL A 33 18.033 2.419 -6.587 1.00 0.93 N ATOM 548 CA VAL A 33 18.915 3.464 -7.096 1.00 0.95 C ATOM 549 C VAL A 33 19.944 3.879 -6.041 1.00 0.96 C ATOM 550 O VAL A 33 21.145 3.917 -6.312 1.00 0.97 O ATOM 551 CB VAL A 33 18.107 4.700 -7.552 1.00 0.99 C ATOM 552 CG1 VAL A 33 19.025 5.845 -7.954 1.00 1.06 C ATOM 553 CG2 VAL A 33 17.186 4.333 -8.703 1.00 0.98 C ATOM 0 H VAL A 33 17.049 2.683 -6.548 1.00 0.93 H new ATOM 0 HA VAL A 33 19.442 3.053 -7.957 1.00 0.95 H new ATOM 0 HB VAL A 33 17.504 5.035 -6.708 1.00 0.99 H new ATOM 0 HG11 VAL A 33 18.425 6.699 -8.269 1.00 1.06 H new ATOM 0 HG12 VAL A 33 19.644 6.131 -7.104 1.00 1.06 H new ATOM 0 HG13 VAL A 33 19.664 5.527 -8.777 1.00 1.06 H new ATOM 0 HG21 VAL A 33 16.623 5.213 -9.014 1.00 0.98 H new ATOM 0 HG22 VAL A 33 17.779 3.967 -9.541 1.00 0.98 H new ATOM 0 HG23 VAL A 33 16.494 3.555 -8.381 1.00 0.98 H new ATOM 563 N VAL A 34 19.473 4.174 -4.835 1.00 0.98 N ATOM 564 CA VAL A 34 20.357 4.580 -3.748 1.00 1.02 C ATOM 565 C VAL A 34 21.310 3.443 -3.386 1.00 1.02 C ATOM 566 O VAL A 34 22.475 3.673 -3.051 1.00 1.04 O ATOM 567 CB VAL A 34 19.552 5.013 -2.500 1.00 1.07 C ATOM 568 CG1 VAL A 34 20.462 5.240 -1.303 1.00 1.14 C ATOM 569 CG2 VAL A 34 18.748 6.272 -2.789 1.00 1.08 C ATOM 0 H VAL A 34 18.485 4.140 -4.585 1.00 0.98 H new ATOM 0 HA VAL A 34 20.936 5.437 -4.092 1.00 1.02 H new ATOM 0 HB VAL A 34 18.865 4.202 -2.256 1.00 1.07 H new ATOM 0 HG11 VAL A 34 19.864 5.543 -0.444 1.00 1.14 H new ATOM 0 HG12 VAL A 34 20.992 4.317 -1.069 1.00 1.14 H new ATOM 0 HG13 VAL A 34 21.183 6.023 -1.537 1.00 1.14 H new ATOM 0 HG21 VAL A 34 18.189 6.559 -1.898 1.00 1.08 H new ATOM 0 HG22 VAL A 34 19.425 7.079 -3.069 1.00 1.08 H new ATOM 0 HG23 VAL A 34 18.053 6.080 -3.607 1.00 1.08 H new ATOM 579 N LYS A 35 20.807 2.218 -3.474 1.00 1.00 N ATOM 580 CA LYS A 35 21.593 1.028 -3.179 1.00 1.02 C ATOM 581 C LYS A 35 22.812 0.950 -4.100 1.00 1.01 C ATOM 582 O LYS A 35 23.919 0.633 -3.662 1.00 1.04 O ATOM 583 CB LYS A 35 20.719 -0.219 -3.347 1.00 1.02 C ATOM 584 CG LYS A 35 21.440 -1.540 -3.144 1.00 1.06 C ATOM 585 CD LYS A 35 20.489 -2.704 -3.364 1.00 1.23 C ATOM 586 CE LYS A 35 21.237 -4.014 -3.486 1.00 1.45 C ATOM 587 NZ LYS A 35 20.354 -5.112 -3.950 1.00 1.92 N ATOM 0 H LYS A 35 19.845 2.022 -3.751 1.00 1.00 H new ATOM 0 HA LYS A 35 21.946 1.082 -2.149 1.00 1.02 H new ATOM 0 HB2 LYS A 35 19.891 -0.162 -2.640 1.00 1.02 H new ATOM 0 HB3 LYS A 35 20.286 -0.209 -4.347 1.00 1.02 H new ATOM 0 HG2 LYS A 35 22.280 -1.613 -3.835 1.00 1.06 H new ATOM 0 HG3 LYS A 35 21.852 -1.585 -2.136 1.00 1.06 H new ATOM 0 HD2 LYS A 35 19.784 -2.762 -2.534 1.00 1.23 H new ATOM 0 HD3 LYS A 35 19.904 -2.532 -4.268 1.00 1.23 H new ATOM 0 HE2 LYS A 35 22.066 -3.895 -4.183 1.00 1.45 H new ATOM 0 HE3 LYS A 35 21.668 -4.278 -2.520 1.00 1.45 H new ATOM 0 HZ1 LYS A 35 20.903 -5.992 -4.021 1.00 1.92 H new ATOM 0 HZ2 LYS A 35 19.577 -5.242 -3.272 1.00 1.92 H new ATOM 0 HZ3 LYS A 35 19.963 -4.872 -4.883 1.00 1.92 H new ATOM 601 N GLU A 36 22.600 1.233 -5.379 1.00 0.99 N ATOM 602 CA GLU A 36 23.680 1.200 -6.355 1.00 1.00 C ATOM 603 C GLU A 36 24.603 2.409 -6.203 1.00 0.99 C ATOM 604 O GLU A 36 25.805 2.320 -6.457 1.00 1.01 O ATOM 605 CB GLU A 36 23.118 1.150 -7.772 1.00 1.03 C ATOM 606 CG GLU A 36 23.801 0.122 -8.655 1.00 1.31 C ATOM 607 CD GLU A 36 23.748 -1.266 -8.054 1.00 1.41 C ATOM 608 OE1 GLU A 36 22.653 -1.868 -8.038 1.00 1.71 O ATOM 609 OE2 GLU A 36 24.802 -1.767 -7.596 1.00 1.44 O ATOM 0 H GLU A 36 21.690 1.488 -5.764 1.00 0.99 H new ATOM 0 HA GLU A 36 24.265 0.299 -6.171 1.00 1.00 H new ATOM 0 HB2 GLU A 36 22.052 0.927 -7.725 1.00 1.03 H new ATOM 0 HB3 GLU A 36 23.217 2.134 -8.229 1.00 1.03 H new ATOM 0 HG2 GLU A 36 23.324 0.111 -9.635 1.00 1.31 H new ATOM 0 HG3 GLU A 36 24.841 0.411 -8.810 1.00 1.31 H new ATOM 616 N SER A 37 24.041 3.537 -5.806 1.00 0.00 N ATOM 617 CA SER A 37 24.793 4.772 -5.604 1.00 0.00 C ATOM 618 C SER A 37 25.865 4.587 -4.556 1.00 0.00 C ATOM 619 O SER A 37 27.038 4.879 -4.781 1.00 0.00 O ATOM 620 CB SER A 37 23.844 5.944 -5.247 1.00 0.00 C ATOM 621 OG SER A 37 22.974 6.304 -6.326 1.00 0.00 O ATOM 0 H SER A 37 23.044 3.627 -5.612 1.00 0.00 H new ATOM 0 HA SER A 37 25.291 5.025 -6.540 1.00 0.00 H new ATOM 0 HB2 SER A 37 23.244 5.668 -4.380 1.00 0.00 H new ATOM 0 HB3 SER A 37 24.438 6.812 -4.961 1.00 0.00 H new ATOM 0 HG SER A 37 22.301 5.603 -6.452 1.00 0.00 H new ATOM 627 N VAL A 38 25.452 4.121 -3.377 1.00 1.03 N ATOM 628 CA VAL A 38 26.385 3.916 -2.275 1.00 1.06 C ATOM 629 C VAL A 38 27.448 2.888 -2.648 1.00 1.07 C ATOM 630 O VAL A 38 28.570 2.936 -2.142 1.00 1.09 O ATOM 631 CB VAL A 38 25.675 3.491 -0.965 1.00 1.10 C ATOM 632 CG1 VAL A 38 24.736 4.590 -0.487 1.00 1.12 C ATOM 633 CG2 VAL A 38 24.919 2.182 -1.139 1.00 1.10 C ATOM 0 H VAL A 38 24.484 3.881 -3.164 1.00 1.03 H new ATOM 0 HA VAL A 38 26.863 4.878 -2.091 1.00 1.06 H new ATOM 0 HB VAL A 38 26.443 3.332 -0.208 1.00 1.10 H new ATOM 0 HG11 VAL A 38 24.246 4.275 0.434 1.00 1.12 H new ATOM 0 HG12 VAL A 38 25.306 5.500 -0.301 1.00 1.12 H new ATOM 0 HG13 VAL A 38 23.983 4.783 -1.251 1.00 1.12 H new ATOM 0 HG21 VAL A 38 24.433 1.915 -0.200 1.00 1.10 H new ATOM 0 HG22 VAL A 38 24.165 2.298 -1.917 1.00 1.10 H new ATOM 0 HG23 VAL A 38 25.616 1.394 -1.424 1.00 1.10 H new ATOM 643 N ASN A 39 27.095 1.973 -3.550 1.00 1.05 N ATOM 644 CA ASN A 39 28.016 0.934 -3.996 1.00 1.08 C ATOM 645 C ASN A 39 29.262 1.549 -4.624 1.00 1.07 C ATOM 646 O ASN A 39 30.389 1.268 -4.204 1.00 1.10 O ATOM 647 CB ASN A 39 27.338 0.024 -5.025 1.00 1.10 C ATOM 648 CG ASN A 39 27.173 -1.402 -4.537 1.00 1.41 C ATOM 649 OD1 ASN A 39 27.851 -1.837 -3.608 1.00 1.68 O ATOM 650 ND2 ASN A 39 26.284 -2.150 -5.178 1.00 1.72 N ATOM 0 H ASN A 39 26.174 1.932 -3.986 1.00 1.05 H new ATOM 0 HA ASN A 39 28.304 0.348 -3.123 1.00 1.08 H new ATOM 0 HB2 ASN A 39 26.359 0.433 -5.274 1.00 1.10 H new ATOM 0 HB3 ASN A 39 27.925 0.022 -5.943 1.00 1.10 H new ATOM 0 HD21 ASN A 39 26.144 -3.123 -4.905 1.00 1.72 H new ATOM 0 HD22 ASN A 39 25.741 -1.752 -5.944 1.00 1.72 H new ATOM 657 N GLU A 40 29.049 2.420 -5.603 1.00 1.06 N ATOM 658 CA GLU A 40 30.152 3.071 -6.298 1.00 1.08 C ATOM 659 C GLU A 40 30.798 4.141 -5.423 1.00 1.06 C ATOM 660 O GLU A 40 32.004 4.371 -5.502 1.00 1.09 O ATOM 661 CB GLU A 40 29.660 3.685 -7.611 1.00 1.11 C ATOM 662 CG GLU A 40 29.064 2.663 -8.563 1.00 1.33 C ATOM 663 CD GLU A 40 28.576 3.283 -9.851 1.00 1.77 C ATOM 664 OE1 GLU A 40 27.860 4.301 -9.789 1.00 2.13 O ATOM 665 OE2 GLU A 40 28.901 2.755 -10.933 1.00 2.31 O ATOM 0 H GLU A 40 28.123 2.692 -5.933 1.00 1.06 H new ATOM 0 HA GLU A 40 30.906 2.316 -6.520 1.00 1.08 H new ATOM 0 HB2 GLU A 40 28.912 4.446 -7.391 1.00 1.11 H new ATOM 0 HB3 GLU A 40 30.492 4.189 -8.103 1.00 1.11 H new ATOM 0 HG2 GLU A 40 29.813 1.904 -8.790 1.00 1.33 H new ATOM 0 HG3 GLU A 40 28.234 2.155 -8.072 1.00 1.33 H new ATOM 672 N LEU A 41 29.990 4.783 -4.587 1.00 1.04 N ATOM 673 CA LEU A 41 30.478 5.823 -3.691 1.00 1.05 C ATOM 674 C LEU A 41 31.546 5.270 -2.753 1.00 1.08 C ATOM 675 O LEU A 41 32.585 5.895 -2.543 1.00 1.12 O ATOM 676 CB LEU A 41 29.314 6.400 -2.882 1.00 1.04 C ATOM 677 CG LEU A 41 29.659 7.596 -1.994 1.00 1.04 C ATOM 678 CD1 LEU A 41 30.045 8.800 -2.839 1.00 1.19 C ATOM 679 CD2 LEU A 41 28.487 7.932 -1.089 1.00 1.07 C ATOM 0 H LEU A 41 28.989 4.600 -4.512 1.00 1.04 H new ATOM 0 HA LEU A 41 30.926 6.616 -4.290 1.00 1.05 H new ATOM 0 HB2 LEU A 41 28.526 6.698 -3.574 1.00 1.04 H new ATOM 0 HB3 LEU A 41 28.904 5.609 -2.254 1.00 1.04 H new ATOM 0 HG LEU A 41 30.514 7.331 -1.373 1.00 1.04 H new ATOM 0 HD11 LEU A 41 30.287 9.640 -2.187 1.00 1.19 H new ATOM 0 HD12 LEU A 41 30.914 8.553 -3.449 1.00 1.19 H new ATOM 0 HD13 LEU A 41 29.212 9.072 -3.487 1.00 1.19 H new ATOM 0 HD21 LEU A 41 28.745 8.785 -0.462 1.00 1.07 H new ATOM 0 HD22 LEU A 41 27.617 8.179 -1.697 1.00 1.07 H new ATOM 0 HD23 LEU A 41 28.257 7.074 -0.458 1.00 1.07 H new ATOM 691 N SER A 42 31.297 4.084 -2.211 1.00 1.07 N ATOM 692 CA SER A 42 32.241 3.449 -1.305 1.00 1.12 C ATOM 693 C SER A 42 33.546 3.126 -2.032 1.00 1.16 C ATOM 694 O SER A 42 34.634 3.311 -1.483 1.00 1.20 O ATOM 695 CB SER A 42 31.634 2.174 -0.704 1.00 1.13 C ATOM 696 OG SER A 42 32.549 1.529 0.169 1.00 1.47 O ATOM 0 H SER A 42 30.449 3.544 -2.384 1.00 1.07 H new ATOM 0 HA SER A 42 32.460 4.144 -0.494 1.00 1.12 H new ATOM 0 HB2 SER A 42 30.723 2.424 -0.160 1.00 1.13 H new ATOM 0 HB3 SER A 42 31.350 1.492 -1.505 1.00 1.13 H new ATOM 0 HG SER A 42 32.135 0.721 0.538 1.00 1.47 H new ATOM 702 N GLU A 43 33.432 2.665 -3.276 1.00 1.16 N ATOM 703 CA GLU A 43 34.599 2.318 -4.080 1.00 1.22 C ATOM 704 C GLU A 43 35.495 3.535 -4.303 1.00 1.21 C ATOM 705 O GLU A 43 36.723 3.436 -4.242 1.00 1.25 O ATOM 706 CB GLU A 43 34.159 1.725 -5.424 1.00 1.27 C ATOM 707 CG GLU A 43 34.498 0.247 -5.586 1.00 1.60 C ATOM 708 CD GLU A 43 34.007 -0.607 -4.434 1.00 1.71 C ATOM 709 OE1 GLU A 43 34.691 -0.654 -3.390 1.00 1.98 O ATOM 710 OE2 GLU A 43 32.942 -1.248 -4.569 1.00 1.94 O ATOM 0 H GLU A 43 32.540 2.523 -3.749 1.00 1.16 H new ATOM 0 HA GLU A 43 35.176 1.570 -3.536 1.00 1.22 H new ATOM 0 HB2 GLU A 43 33.082 1.855 -5.533 1.00 1.27 H new ATOM 0 HB3 GLU A 43 34.631 2.287 -6.230 1.00 1.27 H new ATOM 0 HG2 GLU A 43 34.060 -0.120 -6.514 1.00 1.60 H new ATOM 0 HG3 GLU A 43 35.579 0.136 -5.677 1.00 1.60 H new ATOM 717 N LYS A 44 34.879 4.686 -4.539 1.00 1.18 N ATOM 718 CA LYS A 44 35.626 5.913 -4.774 1.00 1.20 C ATOM 719 C LYS A 44 36.237 6.437 -3.476 1.00 1.20 C ATOM 720 O LYS A 44 37.368 6.927 -3.465 1.00 1.25 O ATOM 721 CB LYS A 44 34.717 6.981 -5.396 1.00 1.22 C ATOM 722 CG LYS A 44 34.049 6.552 -6.695 1.00 1.25 C ATOM 723 CD LYS A 44 35.064 6.313 -7.794 1.00 1.46 C ATOM 724 CE LYS A 44 34.392 5.824 -9.065 1.00 1.75 C ATOM 725 NZ LYS A 44 35.372 5.563 -10.149 1.00 2.12 N ATOM 0 H LYS A 44 33.865 4.795 -4.573 1.00 1.18 H new ATOM 0 HA LYS A 44 36.435 5.688 -5.469 1.00 1.20 H new ATOM 0 HB2 LYS A 44 33.945 7.250 -4.675 1.00 1.22 H new ATOM 0 HB3 LYS A 44 35.306 7.879 -5.583 1.00 1.22 H new ATOM 0 HG2 LYS A 44 33.475 5.641 -6.526 1.00 1.25 H new ATOM 0 HG3 LYS A 44 33.343 7.320 -7.012 1.00 1.25 H new ATOM 0 HD2 LYS A 44 35.607 7.236 -7.998 1.00 1.46 H new ATOM 0 HD3 LYS A 44 35.798 5.579 -7.462 1.00 1.46 H new ATOM 0 HE2 LYS A 44 33.835 4.911 -8.852 1.00 1.75 H new ATOM 0 HE3 LYS A 44 33.669 6.567 -9.401 1.00 1.75 H new ATOM 0 HZ1 LYS A 44 34.871 5.231 -10.998 1.00 2.12 H new ATOM 0 HZ2 LYS A 44 35.886 6.440 -10.371 1.00 2.12 H new ATOM 0 HZ3 LYS A 44 36.047 4.835 -9.839 1.00 2.12 H new ATOM 739 N ALA A 45 35.495 6.312 -2.386 1.00 1.17 N ATOM 740 CA ALA A 45 35.943 6.784 -1.081 1.00 1.18 C ATOM 741 C ALA A 45 37.161 6.019 -0.578 1.00 1.18 C ATOM 742 O ALA A 45 37.990 6.566 0.144 1.00 1.19 O ATOM 743 CB ALA A 45 34.813 6.675 -0.074 1.00 1.21 C ATOM 0 H ALA A 45 34.570 5.883 -2.379 1.00 1.17 H new ATOM 0 HA ALA A 45 36.237 7.827 -1.196 1.00 1.18 H new ATOM 0 HB1 ALA A 45 35.156 7.030 0.898 1.00 1.21 H new ATOM 0 HB2 ALA A 45 33.971 7.282 -0.405 1.00 1.21 H new ATOM 0 HB3 ALA A 45 34.499 5.634 0.010 1.00 1.21 H new ATOM 749 N LYS A 46 37.266 4.756 -0.963 1.00 1.21 N ATOM 750 CA LYS A 46 38.380 3.906 -0.540 1.00 1.24 C ATOM 751 C LYS A 46 39.719 4.392 -1.103 1.00 1.24 C ATOM 752 O LYS A 46 40.781 3.961 -0.653 1.00 1.27 O ATOM 753 CB LYS A 46 38.133 2.458 -0.958 1.00 1.32 C ATOM 754 CG LYS A 46 37.081 1.762 -0.111 1.00 1.61 C ATOM 755 CD LYS A 46 36.533 0.531 -0.810 1.00 2.02 C ATOM 756 CE LYS A 46 35.463 -0.146 0.025 1.00 2.38 C ATOM 757 NZ LYS A 46 34.249 -0.462 -0.774 1.00 2.75 N ATOM 0 H LYS A 46 36.592 4.291 -1.571 1.00 1.21 H new ATOM 0 HA LYS A 46 38.437 3.965 0.547 1.00 1.24 H new ATOM 0 HB2 LYS A 46 37.822 2.436 -2.002 1.00 1.32 H new ATOM 0 HB3 LYS A 46 39.069 1.903 -0.892 1.00 1.32 H new ATOM 0 HG2 LYS A 46 37.514 1.476 0.847 1.00 1.61 H new ATOM 0 HG3 LYS A 46 36.266 2.454 0.102 1.00 1.61 H new ATOM 0 HD2 LYS A 46 36.118 0.814 -1.777 1.00 2.02 H new ATOM 0 HD3 LYS A 46 37.344 -0.171 -1.004 1.00 2.02 H new ATOM 0 HE2 LYS A 46 35.864 -1.065 0.453 1.00 2.38 H new ATOM 0 HE3 LYS A 46 35.190 0.501 0.858 1.00 2.38 H new ATOM 0 HZ1 LYS A 46 33.865 -1.381 -0.474 1.00 2.75 H new ATOM 0 HZ2 LYS A 46 33.533 0.278 -0.625 1.00 2.75 H new ATOM 0 HZ3 LYS A 46 34.499 -0.504 -1.783 1.00 2.75 H new ATOM 771 N THR A 47 39.668 5.274 -2.088 1.00 1.23 N ATOM 772 CA THR A 47 40.875 5.809 -2.701 1.00 1.26 C ATOM 773 C THR A 47 41.454 6.975 -1.891 1.00 1.21 C ATOM 774 O THR A 47 42.482 7.542 -2.260 1.00 1.30 O ATOM 775 CB THR A 47 40.583 6.285 -4.136 1.00 1.39 C ATOM 776 OG1 THR A 47 39.434 5.599 -4.654 1.00 1.54 O ATOM 777 CG2 THR A 47 41.780 6.041 -5.044 1.00 1.62 C ATOM 0 H THR A 47 38.800 5.637 -2.482 1.00 1.23 H new ATOM 0 HA THR A 47 41.610 5.004 -2.721 1.00 1.26 H new ATOM 0 HB THR A 47 40.385 7.356 -4.107 1.00 1.39 H new ATOM 0 HG1 THR A 47 38.621 6.077 -4.388 1.00 1.54 H new ATOM 0 HG21 THR A 47 41.548 6.386 -6.052 1.00 1.62 H new ATOM 0 HG22 THR A 47 42.643 6.587 -4.663 1.00 1.62 H new ATOM 0 HG23 THR A 47 42.007 4.975 -5.068 1.00 1.62 H new ATOM 785 N ASP A 48 40.800 7.327 -0.786 1.00 1.15 N ATOM 786 CA ASP A 48 41.262 8.435 0.049 1.00 1.15 C ATOM 787 C ASP A 48 40.932 8.196 1.522 1.00 1.09 C ATOM 788 O ASP A 48 39.812 7.817 1.861 1.00 1.06 O ATOM 789 CB ASP A 48 40.636 9.751 -0.427 1.00 1.24 C ATOM 790 CG ASP A 48 41.093 10.949 0.379 1.00 1.32 C ATOM 791 OD1 ASP A 48 42.112 11.562 0.016 1.00 1.50 O ATOM 792 OD2 ASP A 48 40.425 11.287 1.374 1.00 1.41 O ATOM 0 H ASP A 48 39.955 6.866 -0.449 1.00 1.15 H new ATOM 0 HA ASP A 48 42.346 8.499 -0.046 1.00 1.15 H new ATOM 0 HB2 ASP A 48 40.888 9.908 -1.476 1.00 1.24 H new ATOM 0 HB3 ASP A 48 39.550 9.673 -0.368 1.00 1.24 H new ATOM 797 N PRO A 49 41.908 8.431 2.416 1.00 1.12 N ATOM 798 CA PRO A 49 41.733 8.233 3.863 1.00 1.13 C ATOM 799 C PRO A 49 40.619 9.096 4.463 1.00 1.17 C ATOM 800 O PRO A 49 39.872 8.640 5.333 1.00 1.18 O ATOM 801 CB PRO A 49 43.087 8.638 4.454 1.00 1.22 C ATOM 802 CG PRO A 49 43.747 9.456 3.398 1.00 1.25 C ATOM 803 CD PRO A 49 43.263 8.906 2.091 1.00 1.19 C ATOM 0 HA PRO A 49 41.439 7.207 4.083 1.00 1.13 H new ATOM 0 HB2 PRO A 49 42.960 9.210 5.373 1.00 1.22 H new ATOM 0 HB3 PRO A 49 43.685 7.762 4.704 1.00 1.22 H new ATOM 0 HG2 PRO A 49 43.486 10.509 3.499 1.00 1.25 H new ATOM 0 HG3 PRO A 49 44.832 9.388 3.473 1.00 1.25 H new ATOM 0 HD2 PRO A 49 43.248 9.669 1.312 1.00 1.19 H new ATOM 0 HD3 PRO A 49 43.900 8.097 1.732 1.00 1.19 H new ATOM 811 N GLN A 50 40.494 10.331 3.985 1.00 1.23 N ATOM 812 CA GLN A 50 39.473 11.241 4.496 1.00 1.30 C ATOM 813 C GLN A 50 38.101 10.853 3.963 1.00 1.21 C ATOM 814 O GLN A 50 37.097 10.941 4.673 1.00 1.22 O ATOM 815 CB GLN A 50 39.791 12.694 4.125 1.00 1.43 C ATOM 816 CG GLN A 50 40.892 13.319 4.972 1.00 1.59 C ATOM 817 CD GLN A 50 42.294 12.999 4.478 1.00 1.77 C ATOM 818 OE1 GLN A 50 42.457 12.869 3.172 1.00 2.00 O flip ATOM 819 NE2 GLN A 50 43.232 12.884 5.267 1.00 1.96 N flip ATOM 0 H GLN A 50 41.082 10.723 3.250 1.00 1.23 H new ATOM 0 HA GLN A 50 39.467 11.161 5.583 1.00 1.30 H new ATOM 0 HB2 GLN A 50 40.085 12.735 3.076 1.00 1.43 H new ATOM 0 HB3 GLN A 50 38.885 13.291 4.226 1.00 1.43 H new ATOM 0 HG2 GLN A 50 40.759 14.401 4.986 1.00 1.59 H new ATOM 0 HG3 GLN A 50 40.790 12.972 6.000 1.00 1.59 H new ATOM 0 HE21 GLN A 50 43.072 12.990 6.269 1.00 1.96 H new ATOM 0 HE22 GLN A 50 44.169 12.682 4.919 1.00 1.96 H new ATOM 828 N ALA A 51 38.067 10.419 2.707 1.00 1.16 N ATOM 829 CA ALA A 51 36.825 9.999 2.078 1.00 1.11 C ATOM 830 C ALA A 51 36.308 8.734 2.752 1.00 1.02 C ATOM 831 O ALA A 51 35.108 8.591 2.989 1.00 1.00 O ATOM 832 CB ALA A 51 37.022 9.776 0.584 1.00 1.15 C ATOM 0 H ALA A 51 38.888 10.350 2.106 1.00 1.16 H new ATOM 0 HA ALA A 51 36.085 10.790 2.200 1.00 1.11 H new ATOM 0 HB1 ALA A 51 36.079 9.462 0.136 1.00 1.15 H new ATOM 0 HB2 ALA A 51 37.355 10.704 0.118 1.00 1.15 H new ATOM 0 HB3 ALA A 51 37.773 9.002 0.428 1.00 1.15 H new ATOM 838 N ALA A 52 37.226 7.821 3.065 1.00 1.01 N ATOM 839 CA ALA A 52 36.875 6.578 3.738 1.00 1.01 C ATOM 840 C ALA A 52 36.327 6.875 5.130 1.00 1.04 C ATOM 841 O ALA A 52 35.439 6.185 5.625 1.00 1.05 O ATOM 842 CB ALA A 52 38.085 5.662 3.821 1.00 1.07 C ATOM 0 H ALA A 52 38.220 7.922 2.861 1.00 1.01 H new ATOM 0 HA ALA A 52 36.102 6.070 3.162 1.00 1.01 H new ATOM 0 HB1 ALA A 52 37.807 4.737 4.326 1.00 1.07 H new ATOM 0 HB2 ALA A 52 38.438 5.434 2.815 1.00 1.07 H new ATOM 0 HB3 ALA A 52 38.878 6.157 4.381 1.00 1.07 H new ATOM 848 N GLU A 53 36.861 7.924 5.747 1.00 1.10 N ATOM 849 CA GLU A 53 36.427 8.358 7.070 1.00 1.20 C ATOM 850 C GLU A 53 34.957 8.791 7.015 1.00 1.18 C ATOM 851 O GLU A 53 34.180 8.552 7.948 1.00 1.23 O ATOM 852 CB GLU A 53 37.324 9.510 7.547 1.00 1.32 C ATOM 853 CG GLU A 53 36.826 10.219 8.795 1.00 1.52 C ATOM 854 CD GLU A 53 36.970 9.384 10.047 1.00 1.64 C ATOM 855 OE1 GLU A 53 38.107 9.219 10.536 1.00 1.87 O ATOM 856 OE2 GLU A 53 35.943 8.909 10.563 1.00 1.65 O ATOM 0 H GLU A 53 37.604 8.496 5.346 1.00 1.10 H new ATOM 0 HA GLU A 53 36.513 7.534 7.779 1.00 1.20 H new ATOM 0 HB2 GLU A 53 38.323 9.120 7.740 1.00 1.32 H new ATOM 0 HB3 GLU A 53 37.416 10.239 6.742 1.00 1.32 H new ATOM 0 HG2 GLU A 53 37.377 11.151 8.921 1.00 1.52 H new ATOM 0 HG3 GLU A 53 35.777 10.485 8.661 1.00 1.52 H new ATOM 863 N LYS A 54 34.577 9.409 5.902 1.00 1.14 N ATOM 864 CA LYS A 54 33.208 9.869 5.705 1.00 1.15 C ATOM 865 C LYS A 54 32.269 8.689 5.472 1.00 1.06 C ATOM 866 O LYS A 54 31.153 8.666 5.982 1.00 1.08 O ATOM 867 CB LYS A 54 33.119 10.846 4.530 1.00 1.20 C ATOM 868 CG LYS A 54 33.568 12.258 4.869 1.00 1.43 C ATOM 869 CD LYS A 54 33.334 13.206 3.705 1.00 1.56 C ATOM 870 CE LYS A 54 31.848 13.473 3.480 1.00 1.86 C ATOM 871 NZ LYS A 54 31.595 14.185 2.201 1.00 2.25 N ATOM 0 H LYS A 54 35.201 9.603 5.119 1.00 1.14 H new ATOM 0 HA LYS A 54 32.901 10.390 6.612 1.00 1.15 H new ATOM 0 HB2 LYS A 54 33.729 10.468 3.709 1.00 1.20 H new ATOM 0 HB3 LYS A 54 32.089 10.878 4.174 1.00 1.20 H new ATOM 0 HG2 LYS A 54 33.026 12.614 5.745 1.00 1.43 H new ATOM 0 HG3 LYS A 54 34.626 12.253 5.129 1.00 1.43 H new ATOM 0 HD2 LYS A 54 33.848 14.148 3.895 1.00 1.56 H new ATOM 0 HD3 LYS A 54 33.768 12.783 2.799 1.00 1.56 H new ATOM 0 HE2 LYS A 54 31.306 12.527 3.481 1.00 1.86 H new ATOM 0 HE3 LYS A 54 31.457 14.065 4.307 1.00 1.86 H new ATOM 0 HZ1 LYS A 54 30.574 14.346 2.089 1.00 2.25 H new ATOM 0 HZ2 LYS A 54 32.090 15.099 2.209 1.00 2.25 H new ATOM 0 HZ3 LYS A 54 31.944 13.609 1.408 1.00 2.25 H new ATOM 885 N LEU A 55 32.737 7.699 4.720 1.00 0.98 N ATOM 886 CA LEU A 55 31.930 6.519 4.431 1.00 0.95 C ATOM 887 C LEU A 55 31.717 5.701 5.696 1.00 0.98 C ATOM 888 O LEU A 55 30.683 5.054 5.861 1.00 1.00 O ATOM 889 CB LEU A 55 32.587 5.663 3.347 1.00 0.93 C ATOM 890 CG LEU A 55 31.806 5.577 2.033 1.00 1.05 C ATOM 891 CD1 LEU A 55 30.468 4.883 2.249 1.00 1.34 C ATOM 892 CD2 LEU A 55 31.595 6.966 1.444 1.00 1.22 C ATOM 0 H LEU A 55 33.667 7.690 4.301 1.00 0.98 H new ATOM 0 HA LEU A 55 30.960 6.851 4.062 1.00 0.95 H new ATOM 0 HB2 LEU A 55 33.578 6.065 3.138 1.00 0.93 H new ATOM 0 HB3 LEU A 55 32.727 4.655 3.736 1.00 0.93 H new ATOM 0 HG LEU A 55 32.390 4.987 1.326 1.00 1.05 H new ATOM 0 HD11 LEU A 55 29.928 4.832 1.304 1.00 1.34 H new ATOM 0 HD12 LEU A 55 30.638 3.874 2.625 1.00 1.34 H new ATOM 0 HD13 LEU A 55 29.879 5.446 2.973 1.00 1.34 H new ATOM 0 HD21 LEU A 55 31.038 6.885 0.510 1.00 1.22 H new ATOM 0 HD22 LEU A 55 31.033 7.579 2.149 1.00 1.22 H new ATOM 0 HD23 LEU A 55 32.562 7.430 1.250 1.00 1.22 H new ATOM 904 N ASN A 56 32.699 5.746 6.590 1.00 1.04 N ATOM 905 CA ASN A 56 32.622 5.020 7.854 1.00 1.14 C ATOM 906 C ASN A 56 31.415 5.486 8.662 1.00 1.19 C ATOM 907 O ASN A 56 30.607 4.679 9.116 1.00 1.25 O ATOM 908 CB ASN A 56 33.911 5.211 8.666 1.00 1.25 C ATOM 909 CG ASN A 56 33.815 4.660 10.082 1.00 1.42 C ATOM 910 OD1 ASN A 56 33.179 3.635 10.330 1.00 1.48 O ATOM 911 ND2 ASN A 56 34.444 5.346 11.023 1.00 1.57 N ATOM 0 H ASN A 56 33.560 6.279 6.463 1.00 1.04 H new ATOM 0 HA ASN A 56 32.506 3.959 7.634 1.00 1.14 H new ATOM 0 HB2 ASN A 56 34.735 4.721 8.148 1.00 1.25 H new ATOM 0 HB3 ASN A 56 34.150 6.274 8.712 1.00 1.25 H new ATOM 0 HD21 ASN A 56 34.412 5.030 11.992 1.00 1.57 H new ATOM 0 HD22 ASN A 56 34.961 6.191 10.779 1.00 1.57 H new ATOM 918 N LYS A 57 31.289 6.795 8.825 1.00 1.20 N ATOM 919 CA LYS A 57 30.164 7.358 9.566 1.00 1.28 C ATOM 920 C LYS A 57 28.869 7.239 8.767 1.00 1.22 C ATOM 921 O LYS A 57 27.790 7.136 9.338 1.00 1.27 O ATOM 922 CB LYS A 57 30.425 8.816 9.958 1.00 1.39 C ATOM 923 CG LYS A 57 31.067 9.656 8.864 1.00 1.52 C ATOM 924 CD LYS A 57 31.417 11.054 9.358 1.00 1.63 C ATOM 925 CE LYS A 57 32.424 11.009 10.503 1.00 1.74 C ATOM 926 NZ LYS A 57 33.706 10.371 10.102 1.00 1.86 N ATOM 0 H LYS A 57 31.945 7.485 8.458 1.00 1.20 H new ATOM 0 HA LYS A 57 30.055 6.780 10.484 1.00 1.28 H new ATOM 0 HB2 LYS A 57 29.480 9.277 10.246 1.00 1.39 H new ATOM 0 HB3 LYS A 57 31.069 8.833 10.837 1.00 1.39 H new ATOM 0 HG2 LYS A 57 31.969 9.160 8.507 1.00 1.52 H new ATOM 0 HG3 LYS A 57 30.387 9.730 8.016 1.00 1.52 H new ATOM 0 HD2 LYS A 57 31.827 11.639 8.535 1.00 1.63 H new ATOM 0 HD3 LYS A 57 30.511 11.561 9.689 1.00 1.63 H new ATOM 0 HE2 LYS A 57 32.619 12.023 10.853 1.00 1.74 H new ATOM 0 HE3 LYS A 57 31.994 10.460 11.341 1.00 1.74 H new ATOM 0 HZ1 LYS A 57 33.921 9.587 10.750 1.00 1.86 H new ATOM 0 HZ2 LYS A 57 33.623 10.005 9.132 1.00 1.86 H new ATOM 0 HZ3 LYS A 57 34.471 11.074 10.143 1.00 1.86 H new ATOM 940 N LEU A 58 28.987 7.266 7.444 1.00 1.12 N ATOM 941 CA LEU A 58 27.825 7.159 6.561 1.00 1.10 C ATOM 942 C LEU A 58 27.101 5.825 6.774 1.00 1.08 C ATOM 943 O LEU A 58 25.896 5.800 7.030 1.00 1.11 O ATOM 944 CB LEU A 58 28.261 7.298 5.094 1.00 1.06 C ATOM 945 CG LEU A 58 27.588 8.423 4.298 1.00 1.22 C ATOM 946 CD1 LEU A 58 26.077 8.232 4.259 1.00 1.35 C ATOM 947 CD2 LEU A 58 27.948 9.785 4.886 1.00 1.39 C ATOM 0 H LEU A 58 29.877 7.361 6.956 1.00 1.12 H new ATOM 0 HA LEU A 58 27.134 7.966 6.803 1.00 1.10 H new ATOM 0 HB2 LEU A 58 29.339 7.457 5.069 1.00 1.06 H new ATOM 0 HB3 LEU A 58 28.066 6.353 4.586 1.00 1.06 H new ATOM 0 HG LEU A 58 27.958 8.384 3.273 1.00 1.22 H new ATOM 0 HD11 LEU A 58 25.622 9.042 3.689 1.00 1.35 H new ATOM 0 HD12 LEU A 58 25.843 7.279 3.785 1.00 1.35 H new ATOM 0 HD13 LEU A 58 25.683 8.238 5.275 1.00 1.35 H new ATOM 0 HD21 LEU A 58 27.461 10.571 4.308 1.00 1.39 H new ATOM 0 HD22 LEU A 58 27.611 9.835 5.922 1.00 1.39 H new ATOM 0 HD23 LEU A 58 29.029 9.923 4.849 1.00 1.39 H new ATOM 959 N ILE A 59 27.845 4.721 6.683 1.00 1.07 N ATOM 960 CA ILE A 59 27.269 3.387 6.871 1.00 1.12 C ATOM 961 C ILE A 59 26.772 3.218 8.306 1.00 1.22 C ATOM 962 O ILE A 59 25.775 2.540 8.556 1.00 1.28 O ATOM 963 CB ILE A 59 28.268 2.255 6.507 1.00 1.15 C ATOM 964 CG1 ILE A 59 27.575 0.889 6.556 1.00 1.28 C ATOM 965 CG2 ILE A 59 29.487 2.262 7.422 1.00 1.26 C ATOM 966 CD1 ILE A 59 26.571 0.667 5.443 1.00 1.39 C ATOM 0 H ILE A 59 28.845 4.723 6.481 1.00 1.07 H new ATOM 0 HA ILE A 59 26.425 3.303 6.187 1.00 1.12 H new ATOM 0 HB ILE A 59 28.615 2.440 5.490 1.00 1.15 H new ATOM 0 HG12 ILE A 59 28.333 0.107 6.509 1.00 1.28 H new ATOM 0 HG13 ILE A 59 27.068 0.785 7.515 1.00 1.28 H new ATOM 0 HG21 ILE A 59 30.162 1.455 7.135 1.00 1.26 H new ATOM 0 HG22 ILE A 59 30.004 3.217 7.332 1.00 1.26 H new ATOM 0 HG23 ILE A 59 29.168 2.118 8.454 1.00 1.26 H new ATOM 0 HD11 ILE A 59 26.124 -0.322 5.548 1.00 1.39 H new ATOM 0 HD12 ILE A 59 25.790 1.426 5.500 1.00 1.39 H new ATOM 0 HD13 ILE A 59 27.075 0.737 4.479 1.00 1.39 H new ATOM 978 N GLU A 60 27.472 3.845 9.240 1.00 1.27 N ATOM 979 CA GLU A 60 27.101 3.792 10.645 1.00 1.41 C ATOM 980 C GLU A 60 25.725 4.425 10.834 1.00 1.39 C ATOM 981 O GLU A 60 24.871 3.899 11.551 1.00 1.49 O ATOM 982 CB GLU A 60 28.144 4.528 11.478 1.00 1.52 C ATOM 983 CG GLU A 60 28.274 4.018 12.895 1.00 1.73 C ATOM 984 CD GLU A 60 29.226 4.866 13.700 1.00 2.09 C ATOM 985 OE1 GLU A 60 28.852 6.003 14.054 1.00 2.61 O ATOM 986 OE2 GLU A 60 30.361 4.415 13.968 1.00 2.28 O ATOM 0 H GLU A 60 28.306 4.400 9.047 1.00 1.27 H new ATOM 0 HA GLU A 60 27.059 2.754 10.974 1.00 1.41 H new ATOM 0 HB2 GLU A 60 29.112 4.446 10.984 1.00 1.52 H new ATOM 0 HB3 GLU A 60 27.889 5.587 11.506 1.00 1.52 H new ATOM 0 HG2 GLU A 60 27.294 4.014 13.373 1.00 1.73 H new ATOM 0 HG3 GLU A 60 28.626 2.986 12.881 1.00 1.73 H new ATOM 993 N GLY A 61 25.516 5.541 10.145 1.00 1.30 N ATOM 994 CA GLY A 61 24.253 6.247 10.206 1.00 1.30 C ATOM 995 C GLY A 61 23.132 5.447 9.584 1.00 1.26 C ATOM 996 O GLY A 61 21.973 5.606 9.952 1.00 1.27 O ATOM 0 H GLY A 61 26.211 5.973 9.537 1.00 1.30 H new ATOM 0 HA2 GLY A 61 24.009 6.467 11.245 1.00 1.30 H new ATOM 0 HA3 GLY A 61 24.346 7.203 9.691 1.00 1.30 H new ATOM 1000 N TYR A 62 23.480 4.601 8.618 1.00 1.25 N ATOM 1001 CA TYR A 62 22.501 3.751 7.964 1.00 1.31 C ATOM 1002 C TYR A 62 22.041 2.663 8.925 1.00 1.43 C ATOM 1003 O TYR A 62 20.856 2.342 9.004 1.00 1.47 O ATOM 1004 CB TYR A 62 23.081 3.128 6.694 1.00 1.39 C ATOM 1005 CG TYR A 62 23.009 4.034 5.482 1.00 1.59 C ATOM 1006 CD1 TYR A 62 21.833 4.703 5.161 1.00 2.03 C ATOM 1007 CD2 TYR A 62 24.112 4.216 4.660 1.00 2.27 C ATOM 1008 CE1 TYR A 62 21.759 5.525 4.053 1.00 2.60 C ATOM 1009 CE2 TYR A 62 24.047 5.036 3.551 1.00 2.80 C ATOM 1010 CZ TYR A 62 22.869 5.690 3.252 1.00 2.80 C ATOM 1011 OH TYR A 62 22.800 6.505 2.146 1.00 3.54 O ATOM 0 H TYR A 62 24.434 4.489 8.274 1.00 1.25 H new ATOM 0 HA TYR A 62 21.645 4.362 7.678 1.00 1.31 H new ATOM 0 HB2 TYR A 62 24.122 2.860 6.874 1.00 1.39 H new ATOM 0 HB3 TYR A 62 22.547 2.203 6.477 1.00 1.39 H new ATOM 0 HD1 TYR A 62 20.963 4.578 5.788 1.00 2.03 H new ATOM 0 HD2 TYR A 62 25.037 3.708 4.891 1.00 2.27 H new ATOM 0 HE1 TYR A 62 20.837 6.035 3.816 1.00 2.60 H new ATOM 0 HE2 TYR A 62 24.914 5.165 2.920 1.00 2.80 H new ATOM 0 HH TYR A 62 23.668 6.513 1.691 1.00 3.54 H new ATOM 1021 N THR A 63 23.000 2.099 9.654 1.00 1.55 N ATOM 1022 CA THR A 63 22.712 1.059 10.629 1.00 1.74 C ATOM 1023 C THR A 63 21.864 1.618 11.771 1.00 1.68 C ATOM 1024 O THR A 63 20.888 1.002 12.203 1.00 1.81 O ATOM 1025 CB THR A 63 24.014 0.463 11.193 1.00 1.96 C ATOM 1026 OG1 THR A 63 24.920 0.170 10.119 1.00 2.00 O ATOM 1027 CG2 THR A 63 23.731 -0.805 11.980 1.00 2.37 C ATOM 0 H THR A 63 23.987 2.348 9.585 1.00 1.55 H new ATOM 0 HA THR A 63 22.155 0.269 10.124 1.00 1.74 H new ATOM 0 HB THR A 63 24.465 1.195 11.863 1.00 1.96 H new ATOM 0 HG1 THR A 63 25.277 1.007 9.755 1.00 2.00 H new ATOM 0 HG21 THR A 63 24.666 -1.208 12.369 1.00 2.37 H new ATOM 0 HG22 THR A 63 23.062 -0.577 12.809 1.00 2.37 H new ATOM 0 HG23 THR A 63 23.262 -1.541 11.327 1.00 2.37 H new ATOM 1035 N TYR A 64 22.236 2.799 12.239 1.00 1.56 N ATOM 1036 CA TYR A 64 21.514 3.463 13.313 1.00 1.61 C ATOM 1037 C TYR A 64 20.532 4.467 12.717 1.00 1.32 C ATOM 1038 O TYR A 64 20.252 5.509 13.307 1.00 1.40 O ATOM 1039 CB TYR A 64 22.494 4.173 14.258 1.00 1.89 C ATOM 1040 CG TYR A 64 22.247 3.889 15.725 1.00 2.36 C ATOM 1041 CD1 TYR A 64 21.057 4.260 16.335 1.00 2.88 C ATOM 1042 CD2 TYR A 64 23.208 3.255 16.500 1.00 2.94 C ATOM 1043 CE1 TYR A 64 20.832 4.009 17.674 1.00 3.56 C ATOM 1044 CE2 TYR A 64 22.992 3.000 17.842 1.00 3.61 C ATOM 1045 CZ TYR A 64 21.801 3.378 18.424 1.00 3.79 C ATOM 1046 OH TYR A 64 21.577 3.125 19.759 1.00 4.61 O ATOM 0 H TYR A 64 23.040 3.321 11.889 1.00 1.56 H new ATOM 0 HA TYR A 64 20.964 2.719 13.889 1.00 1.61 H new ATOM 0 HB2 TYR A 64 23.510 3.871 14.006 1.00 1.89 H new ATOM 0 HB3 TYR A 64 22.430 5.248 14.090 1.00 1.89 H new ATOM 0 HD1 TYR A 64 20.293 4.754 15.752 1.00 2.88 H new ATOM 0 HD2 TYR A 64 24.141 2.955 16.047 1.00 2.94 H new ATOM 0 HE1 TYR A 64 19.900 4.306 18.132 1.00 3.56 H new ATOM 0 HE2 TYR A 64 23.752 2.508 18.431 1.00 3.61 H new ATOM 0 HH TYR A 64 22.358 2.674 20.142 1.00 4.61 H new ATOM 1056 N GLY A 65 20.013 4.137 11.537 1.00 1.16 N ATOM 1057 CA GLY A 65 19.094 5.018 10.845 1.00 1.08 C ATOM 1058 C GLY A 65 17.733 5.122 11.493 1.00 1.03 C ATOM 1059 O GLY A 65 16.935 4.180 11.445 1.00 1.02 O ATOM 0 H GLY A 65 20.216 3.266 11.046 1.00 1.16 H new ATOM 0 HA2 GLY A 65 19.535 6.013 10.789 1.00 1.08 H new ATOM 0 HA3 GLY A 65 18.971 4.665 9.821 1.00 1.08 H new ATOM 1063 N GLU A 66 17.460 6.277 12.083 1.00 1.04 N ATOM 1064 CA GLU A 66 16.184 6.527 12.729 1.00 1.03 C ATOM 1065 C GLU A 66 15.107 6.754 11.673 1.00 0.98 C ATOM 1066 O GLU A 66 13.938 6.411 11.867 1.00 0.98 O ATOM 1067 CB GLU A 66 16.283 7.745 13.651 1.00 1.10 C ATOM 1068 CG GLU A 66 16.678 7.399 15.076 1.00 1.55 C ATOM 1069 CD GLU A 66 15.592 6.639 15.807 1.00 1.48 C ATOM 1070 OE1 GLU A 66 14.404 6.974 15.634 1.00 1.79 O ATOM 1071 OE2 GLU A 66 15.920 5.700 16.563 1.00 1.73 O ATOM 0 H GLU A 66 18.112 7.060 12.126 1.00 1.04 H new ATOM 0 HA GLU A 66 15.917 5.658 13.331 1.00 1.03 H new ATOM 0 HB2 GLU A 66 17.013 8.443 13.240 1.00 1.10 H new ATOM 0 HB3 GLU A 66 15.322 8.259 13.664 1.00 1.10 H new ATOM 0 HG2 GLU A 66 17.590 6.802 15.063 1.00 1.55 H new ATOM 0 HG3 GLU A 66 16.905 8.316 15.620 1.00 1.55 H new ATOM 1078 N GLU A 67 15.515 7.325 10.543 1.00 0.98 N ATOM 1079 CA GLU A 67 14.594 7.590 9.444 1.00 0.98 C ATOM 1080 C GLU A 67 14.209 6.281 8.766 1.00 0.95 C ATOM 1081 O GLU A 67 13.072 6.106 8.329 1.00 0.93 O ATOM 1082 CB GLU A 67 15.221 8.549 8.422 1.00 1.05 C ATOM 1083 CG GLU A 67 16.236 9.512 9.022 1.00 1.33 C ATOM 1084 CD GLU A 67 17.650 8.967 8.981 1.00 1.79 C ATOM 1085 OE1 GLU A 67 18.005 8.154 9.859 1.00 2.37 O ATOM 1086 OE2 GLU A 67 18.408 9.345 8.065 1.00 2.46 O ATOM 0 H GLU A 67 16.477 7.613 10.365 1.00 0.98 H new ATOM 0 HA GLU A 67 13.700 8.063 9.850 1.00 0.98 H new ATOM 0 HB2 GLU A 67 15.707 7.965 7.641 1.00 1.05 H new ATOM 0 HB3 GLU A 67 14.428 9.124 7.944 1.00 1.05 H new ATOM 0 HG2 GLU A 67 16.199 10.457 8.481 1.00 1.33 H new ATOM 0 HG3 GLU A 67 15.962 9.725 10.055 1.00 1.33 H new ATOM 1093 N ARG A 68 15.159 5.354 8.696 1.00 0.97 N ATOM 1094 CA ARG A 68 14.905 4.057 8.085 1.00 0.99 C ATOM 1095 C ARG A 68 13.829 3.327 8.876 1.00 0.96 C ATOM 1096 O ARG A 68 12.973 2.648 8.309 1.00 0.97 O ATOM 1097 CB ARG A 68 16.190 3.226 8.019 1.00 1.06 C ATOM 1098 CG ARG A 68 16.043 1.930 7.227 1.00 1.17 C ATOM 1099 CD ARG A 68 15.906 0.720 8.143 1.00 1.27 C ATOM 1100 NE ARG A 68 15.642 -0.519 7.400 1.00 1.43 N ATOM 1101 CZ ARG A 68 14.535 -1.259 7.539 1.00 1.40 C ATOM 1102 NH1 ARG A 68 13.571 -0.875 8.370 1.00 1.41 N ATOM 1103 NH2 ARG A 68 14.395 -2.385 6.845 1.00 1.70 N ATOM 0 H ARG A 68 16.106 5.477 9.053 1.00 0.97 H new ATOM 0 HA ARG A 68 14.556 4.207 7.063 1.00 0.99 H new ATOM 0 HB2 ARG A 68 16.979 3.829 7.569 1.00 1.06 H new ATOM 0 HB3 ARG A 68 16.510 2.987 9.033 1.00 1.06 H new ATOM 0 HG2 ARG A 68 15.169 1.997 6.580 1.00 1.17 H new ATOM 0 HG3 ARG A 68 16.910 1.799 6.579 1.00 1.17 H new ATOM 0 HD2 ARG A 68 16.820 0.603 8.725 1.00 1.27 H new ATOM 0 HD3 ARG A 68 15.097 0.894 8.852 1.00 1.27 H new ATOM 0 HE ARG A 68 16.348 -0.836 6.735 1.00 1.43 H new ATOM 0 HH11 ARG A 68 13.673 -0.013 8.905 1.00 1.41 H new ATOM 0 HH12 ARG A 68 12.730 -1.443 8.472 1.00 1.41 H new ATOM 0 HH21 ARG A 68 15.131 -2.685 6.206 1.00 1.70 H new ATOM 0 HH22 ARG A 68 13.551 -2.948 6.952 1.00 1.70 H new ATOM 1117 N LYS A 69 13.876 3.484 10.191 1.00 0.95 N ATOM 1118 CA LYS A 69 12.895 2.869 11.067 1.00 0.97 C ATOM 1119 C LYS A 69 11.531 3.521 10.853 1.00 0.91 C ATOM 1120 O LYS A 69 10.498 2.866 10.948 1.00 0.92 O ATOM 1121 CB LYS A 69 13.332 3.007 12.527 1.00 1.04 C ATOM 1122 CG LYS A 69 12.298 2.507 13.523 1.00 1.31 C ATOM 1123 CD LYS A 69 12.763 2.693 14.958 1.00 1.43 C ATOM 1124 CE LYS A 69 13.050 4.156 15.266 1.00 1.48 C ATOM 1125 NZ LYS A 69 13.404 4.372 16.694 1.00 1.54 N ATOM 0 H LYS A 69 14.586 4.034 10.674 1.00 0.95 H new ATOM 0 HA LYS A 69 12.818 1.808 10.829 1.00 0.97 H new ATOM 0 HB2 LYS A 69 14.261 2.456 12.673 1.00 1.04 H new ATOM 0 HB3 LYS A 69 13.547 4.055 12.735 1.00 1.04 H new ATOM 0 HG2 LYS A 69 11.360 3.041 13.372 1.00 1.31 H new ATOM 0 HG3 LYS A 69 12.097 1.452 13.340 1.00 1.31 H new ATOM 0 HD2 LYS A 69 12.000 2.319 15.640 1.00 1.43 H new ATOM 0 HD3 LYS A 69 13.662 2.101 15.130 1.00 1.43 H new ATOM 0 HE2 LYS A 69 13.867 4.505 14.634 1.00 1.48 H new ATOM 0 HE3 LYS A 69 12.175 4.756 15.016 1.00 1.48 H new ATOM 0 HZ1 LYS A 69 12.829 5.147 17.081 1.00 1.54 H new ATOM 0 HZ2 LYS A 69 13.220 3.502 17.233 1.00 1.54 H new ATOM 0 HZ3 LYS A 69 14.412 4.619 16.768 1.00 1.54 H new ATOM 1139 N LEU A 70 11.548 4.814 10.547 1.00 0.90 N ATOM 1140 CA LEU A 70 10.325 5.569 10.302 1.00 0.88 C ATOM 1141 C LEU A 70 9.574 5.006 9.102 1.00 0.85 C ATOM 1142 O LEU A 70 8.369 4.775 9.167 1.00 0.85 O ATOM 1143 CB LEU A 70 10.652 7.045 10.070 1.00 0.93 C ATOM 1144 CG LEU A 70 9.497 7.895 9.538 1.00 1.01 C ATOM 1145 CD1 LEU A 70 8.514 8.218 10.647 1.00 1.14 C ATOM 1146 CD2 LEU A 70 10.028 9.171 8.902 1.00 1.15 C ATOM 0 H LEU A 70 12.403 5.364 10.462 1.00 0.90 H new ATOM 0 HA LEU A 70 9.687 5.480 11.181 1.00 0.88 H new ATOM 0 HB2 LEU A 70 10.995 7.476 11.010 1.00 0.93 H new ATOM 0 HB3 LEU A 70 11.483 7.110 9.367 1.00 0.93 H new ATOM 0 HG LEU A 70 8.970 7.322 8.775 1.00 1.01 H new ATOM 0 HD11 LEU A 70 7.700 8.823 10.247 1.00 1.14 H new ATOM 0 HD12 LEU A 70 8.110 7.292 11.056 1.00 1.14 H new ATOM 0 HD13 LEU A 70 9.024 8.771 11.436 1.00 1.14 H new ATOM 0 HD21 LEU A 70 9.194 9.765 8.528 1.00 1.15 H new ATOM 0 HD22 LEU A 70 10.579 9.746 9.646 1.00 1.15 H new ATOM 0 HD23 LEU A 70 10.692 8.917 8.076 1.00 1.15 H new ATOM 1158 N TYR A 71 10.296 4.765 8.013 1.00 0.84 N ATOM 1159 CA TYR A 71 9.686 4.226 6.800 1.00 0.86 C ATOM 1160 C TYR A 71 9.145 2.830 7.068 1.00 0.85 C ATOM 1161 O TYR A 71 8.105 2.432 6.543 1.00 0.85 O ATOM 1162 CB TYR A 71 10.700 4.167 5.655 1.00 0.91 C ATOM 1163 CG TYR A 71 11.561 5.407 5.511 1.00 0.92 C ATOM 1164 CD1 TYR A 71 11.033 6.682 5.687 1.00 0.94 C ATOM 1165 CD2 TYR A 71 12.908 5.295 5.196 1.00 0.99 C ATOM 1166 CE1 TYR A 71 11.826 7.806 5.552 1.00 1.01 C ATOM 1167 CE2 TYR A 71 13.706 6.416 5.059 1.00 1.05 C ATOM 1168 CZ TYR A 71 13.161 7.667 5.241 1.00 1.05 C ATOM 1169 OH TYR A 71 13.953 8.787 5.113 1.00 1.16 O ATOM 0 H TYR A 71 11.300 4.933 7.944 1.00 0.84 H new ATOM 0 HA TYR A 71 8.870 4.888 6.509 1.00 0.86 H new ATOM 0 HB2 TYR A 71 11.350 3.305 5.806 1.00 0.91 H new ATOM 0 HB3 TYR A 71 10.164 4.002 4.720 1.00 0.91 H new ATOM 0 HD1 TYR A 71 9.987 6.795 5.933 1.00 0.94 H new ATOM 0 HD2 TYR A 71 13.340 4.315 5.055 1.00 0.99 H new ATOM 0 HE1 TYR A 71 11.401 8.789 5.690 1.00 1.01 H new ATOM 0 HE2 TYR A 71 14.752 6.311 4.810 1.00 1.05 H new ATOM 0 HH TYR A 71 14.869 8.517 4.893 1.00 1.16 H new ATOM 1179 N ASP A 72 9.863 2.102 7.908 1.00 0.86 N ATOM 1180 CA ASP A 72 9.490 0.744 8.283 1.00 0.90 C ATOM 1181 C ASP A 72 8.165 0.745 9.032 1.00 0.87 C ATOM 1182 O ASP A 72 7.276 -0.066 8.760 1.00 0.87 O ATOM 1183 CB ASP A 72 10.590 0.141 9.158 1.00 0.98 C ATOM 1184 CG ASP A 72 10.457 -1.356 9.329 1.00 1.21 C ATOM 1185 OD1 ASP A 72 9.692 -1.792 10.210 1.00 1.47 O ATOM 1186 OD2 ASP A 72 11.142 -2.100 8.599 1.00 1.48 O ATOM 0 H ASP A 72 10.720 2.434 8.350 1.00 0.86 H new ATOM 0 HA ASP A 72 9.373 0.143 7.381 1.00 0.90 H new ATOM 0 HB2 ASP A 72 11.561 0.366 8.717 1.00 0.98 H new ATOM 0 HB3 ASP A 72 10.568 0.616 10.139 1.00 0.98 H new ATOM 1191 N SER A 73 8.029 1.684 9.963 1.00 0.85 N ATOM 1192 CA SER A 73 6.815 1.809 10.755 1.00 0.85 C ATOM 1193 C SER A 73 5.646 2.248 9.875 1.00 0.81 C ATOM 1194 O SER A 73 4.498 1.897 10.133 1.00 0.80 O ATOM 1195 CB SER A 73 7.025 2.810 11.894 1.00 0.90 C ATOM 1196 OG SER A 73 8.206 2.512 12.621 1.00 0.96 O ATOM 0 H SER A 73 8.749 2.371 10.186 1.00 0.85 H new ATOM 0 HA SER A 73 6.580 0.835 11.184 1.00 0.85 H new ATOM 0 HB2 SER A 73 7.088 3.820 11.488 1.00 0.90 H new ATOM 0 HB3 SER A 73 6.166 2.789 12.564 1.00 0.90 H new ATOM 0 HG SER A 73 8.990 2.725 12.073 1.00 0.96 H new ATOM 1202 N ALA A 74 5.955 3.006 8.828 1.00 0.80 N ATOM 1203 CA ALA A 74 4.941 3.485 7.898 1.00 0.79 C ATOM 1204 C ALA A 74 4.386 2.332 7.069 1.00 0.76 C ATOM 1205 O ALA A 74 3.172 2.201 6.911 1.00 0.75 O ATOM 1206 CB ALA A 74 5.516 4.565 6.995 1.00 0.82 C ATOM 0 H ALA A 74 6.905 3.302 8.602 1.00 0.80 H new ATOM 0 HA ALA A 74 4.122 3.917 8.473 1.00 0.79 H new ATOM 0 HB1 ALA A 74 4.745 4.912 6.306 1.00 0.82 H new ATOM 0 HB2 ALA A 74 5.863 5.401 7.603 1.00 0.82 H new ATOM 0 HB3 ALA A 74 6.353 4.157 6.428 1.00 0.82 H new ATOM 1212 N LEU A 75 5.281 1.482 6.566 1.00 0.77 N ATOM 1213 CA LEU A 75 4.882 0.331 5.761 1.00 0.78 C ATOM 1214 C LEU A 75 4.028 -0.613 6.599 1.00 0.77 C ATOM 1215 O LEU A 75 3.051 -1.186 6.115 1.00 0.77 O ATOM 1216 CB LEU A 75 6.123 -0.394 5.212 1.00 0.83 C ATOM 1217 CG LEU A 75 5.908 -1.223 3.932 1.00 0.92 C ATOM 1218 CD1 LEU A 75 5.285 -2.574 4.250 1.00 1.13 C ATOM 1219 CD2 LEU A 75 5.044 -0.466 2.931 1.00 1.15 C ATOM 0 H LEU A 75 6.288 1.570 6.703 1.00 0.77 H new ATOM 0 HA LEU A 75 4.290 0.675 4.913 1.00 0.78 H new ATOM 0 HB2 LEU A 75 6.896 0.349 5.015 1.00 0.83 H new ATOM 0 HB3 LEU A 75 6.507 -1.055 5.989 1.00 0.83 H new ATOM 0 HG LEU A 75 6.887 -1.395 3.484 1.00 0.92 H new ATOM 0 HD11 LEU A 75 5.145 -3.137 3.327 1.00 1.13 H new ATOM 0 HD12 LEU A 75 5.943 -3.130 4.918 1.00 1.13 H new ATOM 0 HD13 LEU A 75 4.320 -2.425 4.734 1.00 1.13 H new ATOM 0 HD21 LEU A 75 4.907 -1.073 2.036 1.00 1.15 H new ATOM 0 HD22 LEU A 75 4.072 -0.253 3.377 1.00 1.15 H new ATOM 0 HD23 LEU A 75 5.533 0.470 2.663 1.00 1.15 H new ATOM 1231 N SER A 76 4.388 -0.751 7.868 1.00 0.78 N ATOM 1232 CA SER A 76 3.655 -1.611 8.782 1.00 0.80 C ATOM 1233 C SER A 76 2.216 -1.112 8.963 1.00 0.76 C ATOM 1234 O SER A 76 1.279 -1.900 9.109 1.00 0.77 O ATOM 1235 CB SER A 76 4.381 -1.671 10.126 1.00 0.85 C ATOM 1236 OG SER A 76 5.723 -2.113 9.961 1.00 0.88 O ATOM 0 H SER A 76 5.187 -0.275 8.287 1.00 0.78 H new ATOM 0 HA SER A 76 3.608 -2.615 8.361 1.00 0.80 H new ATOM 0 HB2 SER A 76 4.374 -0.686 10.592 1.00 0.85 H new ATOM 0 HB3 SER A 76 3.852 -2.346 10.799 1.00 0.85 H new ATOM 0 HG SER A 76 6.249 -1.408 9.530 1.00 0.88 H new ATOM 1242 N LYS A 77 2.048 0.204 8.929 1.00 0.75 N ATOM 1243 CA LYS A 77 0.734 0.813 9.073 1.00 0.74 C ATOM 1244 C LYS A 77 -0.123 0.512 7.848 1.00 0.71 C ATOM 1245 O LYS A 77 -1.344 0.377 7.952 1.00 0.70 O ATOM 1246 CB LYS A 77 0.854 2.324 9.287 1.00 0.76 C ATOM 1247 CG LYS A 77 1.430 2.700 10.645 1.00 0.90 C ATOM 1248 CD LYS A 77 1.399 4.203 10.877 1.00 0.98 C ATOM 1249 CE LYS A 77 -0.012 4.687 11.175 1.00 1.35 C ATOM 1250 NZ LYS A 77 -0.017 6.024 11.827 1.00 1.61 N ATOM 0 H LYS A 77 2.809 0.871 8.802 1.00 0.75 H new ATOM 0 HA LYS A 77 0.251 0.385 9.951 1.00 0.74 H new ATOM 0 HB2 LYS A 77 1.485 2.745 8.504 1.00 0.76 H new ATOM 0 HB3 LYS A 77 -0.131 2.778 9.181 1.00 0.76 H new ATOM 0 HG2 LYS A 77 0.864 2.200 11.431 1.00 0.90 H new ATOM 0 HG3 LYS A 77 2.457 2.343 10.715 1.00 0.90 H new ATOM 0 HD2 LYS A 77 2.057 4.459 11.708 1.00 0.98 H new ATOM 0 HD3 LYS A 77 1.784 4.717 9.996 1.00 0.98 H new ATOM 0 HE2 LYS A 77 -0.583 4.734 10.247 1.00 1.35 H new ATOM 0 HE3 LYS A 77 -0.513 3.967 11.821 1.00 1.35 H new ATOM 0 HZ1 LYS A 77 -0.998 6.316 12.013 1.00 1.61 H new ATOM 0 HZ2 LYS A 77 0.505 5.974 12.725 1.00 1.61 H new ATOM 0 HZ3 LYS A 77 0.438 6.718 11.200 1.00 1.61 H new ATOM 1264 N ILE A 78 0.525 0.405 6.691 1.00 0.71 N ATOM 1265 CA ILE A 78 -0.168 0.093 5.448 1.00 0.71 C ATOM 1266 C ILE A 78 -0.750 -1.314 5.529 1.00 0.70 C ATOM 1267 O ILE A 78 -1.886 -1.554 5.120 1.00 0.69 O ATOM 1268 CB ILE A 78 0.772 0.172 4.223 1.00 0.77 C ATOM 1269 CG1 ILE A 78 1.515 1.512 4.189 1.00 1.04 C ATOM 1270 CG2 ILE A 78 -0.009 -0.041 2.934 1.00 0.84 C ATOM 1271 CD1 ILE A 78 0.643 2.695 3.830 1.00 1.33 C ATOM 0 H ILE A 78 1.532 0.531 6.590 1.00 0.71 H new ATOM 0 HA ILE A 78 -0.958 0.833 5.320 1.00 0.71 H new ATOM 0 HB ILE A 78 1.512 -0.623 4.312 1.00 0.77 H new ATOM 0 HG12 ILE A 78 1.965 1.690 5.165 1.00 1.04 H new ATOM 0 HG13 ILE A 78 2.331 1.444 3.469 1.00 1.04 H new ATOM 0 HG21 ILE A 78 0.670 0.018 2.083 1.00 0.84 H new ATOM 0 HG22 ILE A 78 -0.482 -1.023 2.953 1.00 0.84 H new ATOM 0 HG23 ILE A 78 -0.775 0.729 2.841 1.00 0.84 H new ATOM 0 HD11 ILE A 78 1.245 3.604 3.828 1.00 1.33 H new ATOM 0 HD12 ILE A 78 0.213 2.543 2.840 1.00 1.33 H new ATOM 0 HD13 ILE A 78 -0.158 2.792 4.563 1.00 1.33 H new ATOM 1283 N GLU A 79 0.037 -2.235 6.086 1.00 0.72 N ATOM 1284 CA GLU A 79 -0.389 -3.624 6.236 1.00 0.74 C ATOM 1285 C GLU A 79 -1.617 -3.705 7.139 1.00 0.73 C ATOM 1286 O GLU A 79 -2.523 -4.506 6.904 1.00 0.74 O ATOM 1287 CB GLU A 79 0.755 -4.477 6.797 1.00 0.79 C ATOM 1288 CG GLU A 79 0.358 -5.916 7.086 1.00 1.00 C ATOM 1289 CD GLU A 79 1.499 -6.897 6.894 1.00 1.32 C ATOM 1290 OE1 GLU A 79 2.574 -6.703 7.504 1.00 1.95 O ATOM 1291 OE2 GLU A 79 1.321 -7.876 6.138 1.00 1.93 O ATOM 0 H GLU A 79 0.974 -2.042 6.441 1.00 0.72 H new ATOM 0 HA GLU A 79 -0.657 -4.016 5.255 1.00 0.74 H new ATOM 0 HB2 GLU A 79 1.582 -4.473 6.087 1.00 0.79 H new ATOM 0 HB3 GLU A 79 1.122 -4.019 7.716 1.00 0.79 H new ATOM 0 HG2 GLU A 79 -0.006 -5.987 8.111 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -0.469 -6.197 6.433 1.00 1.00 H new ATOM 1298 N LYS A 80 -1.651 -2.857 8.163 1.00 0.72 N ATOM 1299 CA LYS A 80 -2.779 -2.823 9.086 1.00 0.73 C ATOM 1300 C LYS A 80 -4.033 -2.345 8.366 1.00 0.72 C ATOM 1301 O LYS A 80 -5.142 -2.803 8.649 1.00 0.75 O ATOM 1302 CB LYS A 80 -2.481 -1.909 10.279 1.00 0.74 C ATOM 1303 CG LYS A 80 -1.341 -2.406 11.158 1.00 0.81 C ATOM 1304 CD LYS A 80 -1.326 -1.715 12.515 1.00 0.96 C ATOM 1305 CE LYS A 80 -2.459 -2.193 13.410 1.00 1.35 C ATOM 1306 NZ LYS A 80 -2.409 -3.661 13.656 1.00 1.71 N ATOM 0 H LYS A 80 -0.912 -2.186 8.374 1.00 0.72 H new ATOM 0 HA LYS A 80 -2.944 -3.834 9.459 1.00 0.73 H new ATOM 0 HB2 LYS A 80 -2.237 -0.913 9.911 1.00 0.74 H new ATOM 0 HB3 LYS A 80 -3.381 -1.813 10.886 1.00 0.74 H new ATOM 0 HG2 LYS A 80 -1.435 -3.483 11.300 1.00 0.81 H new ATOM 0 HG3 LYS A 80 -0.391 -2.233 10.652 1.00 0.81 H new ATOM 0 HD2 LYS A 80 -0.372 -1.903 13.007 1.00 0.96 H new ATOM 0 HD3 LYS A 80 -1.405 -0.637 12.374 1.00 0.96 H new ATOM 0 HE2 LYS A 80 -2.412 -1.666 14.363 1.00 1.35 H new ATOM 0 HE3 LYS A 80 -3.414 -1.937 12.951 1.00 1.35 H new ATOM 0 HZ1 LYS A 80 -2.961 -3.889 14.507 1.00 1.71 H new ATOM 0 HZ2 LYS A 80 -2.809 -4.164 12.838 1.00 1.71 H new ATOM 0 HZ3 LYS A 80 -1.421 -3.956 13.794 1.00 1.71 H new ATOM 1320 N LEU A 81 -3.848 -1.423 7.431 1.00 0.69 N ATOM 1321 CA LEU A 81 -4.951 -0.885 6.650 1.00 0.71 C ATOM 1322 C LEU A 81 -5.552 -1.979 5.784 1.00 0.72 C ATOM 1323 O LEU A 81 -6.771 -2.060 5.620 1.00 0.76 O ATOM 1324 CB LEU A 81 -4.472 0.269 5.765 1.00 0.71 C ATOM 1325 CG LEU A 81 -5.010 1.656 6.131 1.00 0.78 C ATOM 1326 CD1 LEU A 81 -6.529 1.654 6.176 1.00 1.00 C ATOM 1327 CD2 LEU A 81 -4.429 2.125 7.458 1.00 0.94 C ATOM 0 H LEU A 81 -2.937 -1.030 7.195 1.00 0.69 H new ATOM 0 HA LEU A 81 -5.709 -0.508 7.336 1.00 0.71 H new ATOM 0 HB2 LEU A 81 -3.383 0.301 5.800 1.00 0.71 H new ATOM 0 HB3 LEU A 81 -4.751 0.052 4.734 1.00 0.71 H new ATOM 0 HG LEU A 81 -4.698 2.356 5.356 1.00 0.78 H new ATOM 0 HD11 LEU A 81 -6.887 2.650 6.438 1.00 1.00 H new ATOM 0 HD12 LEU A 81 -6.922 1.373 5.199 1.00 1.00 H new ATOM 0 HD13 LEU A 81 -6.870 0.938 6.924 1.00 1.00 H new ATOM 0 HD21 LEU A 81 -4.824 3.112 7.700 1.00 0.94 H new ATOM 0 HD22 LEU A 81 -4.704 1.422 8.244 1.00 0.94 H new ATOM 0 HD23 LEU A 81 -3.343 2.177 7.381 1.00 0.94 H new ATOM 1339 N ILE A 82 -4.684 -2.825 5.240 1.00 0.72 N ATOM 1340 CA ILE A 82 -5.114 -3.933 4.396 1.00 0.76 C ATOM 1341 C ILE A 82 -5.975 -4.902 5.206 1.00 0.80 C ATOM 1342 O ILE A 82 -6.990 -5.409 4.717 1.00 0.84 O ATOM 1343 CB ILE A 82 -3.906 -4.687 3.786 1.00 0.75 C ATOM 1344 CG1 ILE A 82 -2.986 -3.705 3.053 1.00 0.74 C ATOM 1345 CG2 ILE A 82 -4.381 -5.788 2.847 1.00 0.80 C ATOM 1346 CD1 ILE A 82 -1.828 -4.363 2.327 1.00 0.77 C ATOM 0 H ILE A 82 -3.674 -2.764 5.370 1.00 0.72 H new ATOM 0 HA ILE A 82 -5.701 -3.519 3.576 1.00 0.76 H new ATOM 0 HB ILE A 82 -3.341 -5.153 4.593 1.00 0.75 H new ATOM 0 HG12 ILE A 82 -3.577 -3.139 2.333 1.00 0.74 H new ATOM 0 HG13 ILE A 82 -2.589 -2.989 3.773 1.00 0.74 H new ATOM 0 HG21 ILE A 82 -3.518 -6.306 2.428 1.00 0.80 H new ATOM 0 HG22 ILE A 82 -4.997 -6.497 3.400 1.00 0.80 H new ATOM 0 HG23 ILE A 82 -4.968 -5.350 2.040 1.00 0.80 H new ATOM 0 HD11 ILE A 82 -1.226 -3.599 1.835 1.00 0.77 H new ATOM 0 HD12 ILE A 82 -1.211 -4.906 3.043 1.00 0.77 H new ATOM 0 HD13 ILE A 82 -2.214 -5.058 1.581 1.00 0.77 H new ATOM 1358 N GLU A 83 -5.578 -5.122 6.459 1.00 0.80 N ATOM 1359 CA GLU A 83 -6.306 -6.014 7.365 1.00 0.86 C ATOM 1360 C GLU A 83 -7.692 -5.443 7.676 1.00 0.85 C ATOM 1361 O GLU A 83 -8.638 -6.184 7.955 1.00 0.90 O ATOM 1362 CB GLU A 83 -5.523 -6.212 8.670 1.00 0.90 C ATOM 1363 CG GLU A 83 -6.033 -7.363 9.525 1.00 1.24 C ATOM 1364 CD GLU A 83 -5.274 -7.494 10.829 1.00 1.70 C ATOM 1365 OE1 GLU A 83 -5.291 -6.531 11.629 1.00 2.18 O ATOM 1366 OE2 GLU A 83 -4.656 -8.555 11.058 1.00 2.36 O ATOM 0 H GLU A 83 -4.751 -4.692 6.873 1.00 0.80 H new ATOM 0 HA GLU A 83 -6.421 -6.980 6.872 1.00 0.86 H new ATOM 0 HB2 GLU A 83 -4.474 -6.387 8.430 1.00 0.90 H new ATOM 0 HB3 GLU A 83 -5.568 -5.292 9.252 1.00 0.90 H new ATOM 0 HG2 GLU A 83 -7.092 -7.213 9.737 1.00 1.24 H new ATOM 0 HG3 GLU A 83 -5.949 -8.294 8.964 1.00 1.24 H new ATOM 1373 N THR A 84 -7.807 -4.120 7.614 1.00 0.82 N ATOM 1374 CA THR A 84 -9.072 -3.452 7.876 1.00 0.84 C ATOM 1375 C THR A 84 -10.034 -3.681 6.707 1.00 0.89 C ATOM 1376 O THR A 84 -11.253 -3.745 6.881 1.00 0.92 O ATOM 1377 CB THR A 84 -8.869 -1.935 8.088 1.00 0.83 C ATOM 1378 OG1 THR A 84 -7.733 -1.695 8.937 1.00 0.84 O ATOM 1379 CG2 THR A 84 -10.104 -1.306 8.709 1.00 0.85 C ATOM 0 H THR A 84 -7.037 -3.491 7.384 1.00 0.82 H new ATOM 0 HA THR A 84 -9.494 -3.874 8.788 1.00 0.84 H new ATOM 0 HB THR A 84 -8.694 -1.481 7.112 1.00 0.83 H new ATOM 0 HG1 THR A 84 -6.930 -2.075 8.524 1.00 0.84 H new ATOM 0 HG21 THR A 84 -9.937 -0.238 8.849 1.00 0.85 H new ATOM 0 HG22 THR A 84 -10.959 -1.457 8.050 1.00 0.85 H new ATOM 0 HG23 THR A 84 -10.303 -1.771 9.674 1.00 0.85 H new ATOM 1387 N LEU A 85 -9.467 -3.808 5.514 1.00 0.93 N ATOM 1388 CA LEU A 85 -10.257 -4.039 4.319 1.00 1.01 C ATOM 1389 C LEU A 85 -10.662 -5.508 4.223 1.00 1.08 C ATOM 1390 O LEU A 85 -11.820 -5.825 3.962 1.00 1.17 O ATOM 1391 CB LEU A 85 -9.474 -3.628 3.070 1.00 1.04 C ATOM 1392 CG LEU A 85 -9.061 -2.155 3.006 1.00 1.05 C ATOM 1393 CD1 LEU A 85 -8.339 -1.861 1.699 1.00 1.22 C ATOM 1394 CD2 LEU A 85 -10.273 -1.248 3.158 1.00 1.13 C ATOM 0 H LEU A 85 -8.461 -3.754 5.352 1.00 0.93 H new ATOM 0 HA LEU A 85 -11.159 -3.430 4.382 1.00 1.01 H new ATOM 0 HB2 LEU A 85 -8.576 -4.242 3.007 1.00 1.04 H new ATOM 0 HB3 LEU A 85 -10.078 -3.856 2.192 1.00 1.04 H new ATOM 0 HG LEU A 85 -8.379 -1.956 3.832 1.00 1.05 H new ATOM 0 HD11 LEU A 85 -8.053 -0.810 1.670 1.00 1.22 H new ATOM 0 HD12 LEU A 85 -7.446 -2.482 1.629 1.00 1.22 H new ATOM 0 HD13 LEU A 85 -9.000 -2.080 0.861 1.00 1.22 H new ATOM 0 HD21 LEU A 85 -9.956 -0.206 3.110 1.00 1.13 H new ATOM 0 HD22 LEU A 85 -10.981 -1.450 2.354 1.00 1.13 H new ATOM 0 HD23 LEU A 85 -10.751 -1.437 4.119 1.00 1.13 H new ATOM 1406 N SER A 86 -9.704 -6.396 4.444 1.00 1.18 N ATOM 1407 CA SER A 86 -9.956 -7.828 4.382 1.00 1.31 C ATOM 1408 C SER A 86 -9.329 -8.543 5.575 1.00 1.73 C ATOM 1409 O SER A 86 -8.111 -8.727 5.624 1.00 2.31 O ATOM 1410 CB SER A 86 -9.395 -8.405 3.081 1.00 1.71 C ATOM 1411 OG SER A 86 -10.018 -7.825 1.947 1.00 1.97 O ATOM 0 H SER A 86 -8.740 -6.148 4.669 1.00 1.18 H new ATOM 0 HA SER A 86 -11.034 -7.985 4.411 1.00 1.31 H new ATOM 0 HB2 SER A 86 -8.320 -8.230 3.037 1.00 1.71 H new ATOM 0 HB3 SER A 86 -9.543 -9.485 3.067 1.00 1.71 H new ATOM 0 HG SER A 86 -9.638 -8.212 1.131 1.00 1.97 H new ATOM 1914 N LYS B 10 16.565 14.859 0.786 1.00 1.52 N ATOM 1915 CA LYS B 10 15.992 14.334 2.026 1.00 1.44 C ATOM 1916 C LYS B 10 14.584 14.877 2.263 1.00 1.38 C ATOM 1917 O LYS B 10 13.661 14.122 2.582 1.00 1.32 O ATOM 1918 CB LYS B 10 16.890 14.699 3.210 1.00 1.48 C ATOM 1919 CG LYS B 10 16.612 13.900 4.476 1.00 1.54 C ATOM 1920 CD LYS B 10 17.235 12.517 4.407 1.00 1.71 C ATOM 1921 CE LYS B 10 17.179 11.816 5.754 1.00 2.08 C ATOM 1922 NZ LYS B 10 18.101 10.651 5.812 1.00 2.41 N ATOM 0 HA LYS B 10 15.927 13.250 1.933 1.00 1.44 H new ATOM 0 HB2 LYS B 10 17.931 14.550 2.921 1.00 1.48 H new ATOM 0 HB3 LYS B 10 16.769 15.760 3.430 1.00 1.48 H new ATOM 0 HG2 LYS B 10 17.006 14.435 5.340 1.00 1.54 H new ATOM 0 HG3 LYS B 10 15.536 13.809 4.621 1.00 1.54 H new ATOM 0 HD2 LYS B 10 16.713 11.918 3.661 1.00 1.71 H new ATOM 0 HD3 LYS B 10 18.272 12.599 4.081 1.00 1.71 H new ATOM 0 HE2 LYS B 10 17.438 12.523 6.542 1.00 2.08 H new ATOM 0 HE3 LYS B 10 16.160 11.482 5.947 1.00 2.08 H new ATOM 0 HZ1 LYS B 10 18.214 10.347 6.800 1.00 2.41 H new ATOM 0 HZ2 LYS B 10 17.707 9.868 5.252 1.00 2.41 H new ATOM 0 HZ3 LYS B 10 19.028 10.922 5.425 1.00 2.41 H new ATOM 1936 N GLU B 11 14.437 16.187 2.113 1.00 1.42 N ATOM 1937 CA GLU B 11 13.153 16.853 2.302 1.00 1.39 C ATOM 1938 C GLU B 11 12.132 16.331 1.294 1.00 1.36 C ATOM 1939 O GLU B 11 10.964 16.124 1.623 1.00 1.30 O ATOM 1940 CB GLU B 11 13.331 18.367 2.134 1.00 1.47 C ATOM 1941 CG GLU B 11 12.158 19.197 2.626 1.00 1.48 C ATOM 1942 CD GLU B 11 11.940 20.436 1.780 1.00 1.62 C ATOM 1943 OE1 GLU B 11 12.574 21.477 2.058 1.00 1.72 O ATOM 1944 OE2 GLU B 11 11.139 20.375 0.828 1.00 1.90 O ATOM 0 H GLU B 11 15.199 16.815 1.858 1.00 1.42 H new ATOM 0 HA GLU B 11 12.787 16.642 3.307 1.00 1.39 H new ATOM 0 HB2 GLU B 11 14.229 18.676 2.669 1.00 1.47 H new ATOM 0 HB3 GLU B 11 13.498 18.586 1.079 1.00 1.47 H new ATOM 0 HG2 GLU B 11 11.254 18.588 2.615 1.00 1.48 H new ATOM 0 HG3 GLU B 11 12.332 19.491 3.661 1.00 1.48 H new ATOM 1951 N LEU B 12 12.603 16.093 0.073 1.00 1.43 N ATOM 1952 CA LEU B 12 11.759 15.607 -1.011 1.00 1.45 C ATOM 1953 C LEU B 12 11.160 14.235 -0.697 1.00 1.36 C ATOM 1954 O LEU B 12 9.940 14.079 -0.683 1.00 1.32 O ATOM 1955 CB LEU B 12 12.571 15.539 -2.311 1.00 1.57 C ATOM 1956 CG LEU B 12 11.803 15.046 -3.537 1.00 1.73 C ATOM 1957 CD1 LEU B 12 10.751 16.064 -3.959 1.00 1.89 C ATOM 1958 CD2 LEU B 12 12.763 14.758 -4.680 1.00 1.89 C ATOM 0 H LEU B 12 13.578 16.232 -0.191 1.00 1.43 H new ATOM 0 HA LEU B 12 10.932 16.308 -1.128 1.00 1.45 H new ATOM 0 HB2 LEU B 12 12.966 16.532 -2.525 1.00 1.57 H new ATOM 0 HB3 LEU B 12 13.427 14.883 -2.151 1.00 1.57 H new ATOM 0 HG LEU B 12 11.291 14.120 -3.275 1.00 1.73 H new ATOM 0 HD11 LEU B 12 10.216 15.693 -4.833 1.00 1.89 H new ATOM 0 HD12 LEU B 12 10.047 16.220 -3.142 1.00 1.89 H new ATOM 0 HD13 LEU B 12 11.237 17.009 -4.204 1.00 1.89 H new ATOM 0 HD21 LEU B 12 12.202 14.408 -5.547 1.00 1.89 H new ATOM 0 HD22 LEU B 12 13.302 15.669 -4.941 1.00 1.89 H new ATOM 0 HD23 LEU B 12 13.474 13.991 -4.373 1.00 1.89 H new ATOM 1970 N LEU B 13 12.015 13.248 -0.427 1.00 1.35 N ATOM 1971 CA LEU B 13 11.546 11.893 -0.141 1.00 1.30 C ATOM 1972 C LEU B 13 10.695 11.839 1.125 1.00 1.18 C ATOM 1973 O LEU B 13 9.721 11.087 1.190 1.00 1.15 O ATOM 1974 CB LEU B 13 12.727 10.908 -0.049 1.00 1.35 C ATOM 1975 CG LEU B 13 13.825 11.260 0.965 1.00 1.32 C ATOM 1976 CD1 LEU B 13 13.578 10.567 2.299 1.00 1.48 C ATOM 1977 CD2 LEU B 13 15.191 10.879 0.418 1.00 1.50 C ATOM 0 H LEU B 13 13.028 13.360 -0.400 1.00 1.35 H new ATOM 0 HA LEU B 13 10.910 11.591 -0.973 1.00 1.30 H new ATOM 0 HB2 LEU B 13 12.333 9.923 0.201 1.00 1.35 H new ATOM 0 HB3 LEU B 13 13.184 10.828 -1.035 1.00 1.35 H new ATOM 0 HG LEU B 13 13.800 12.337 1.132 1.00 1.32 H new ATOM 0 HD11 LEU B 13 14.370 10.833 2.999 1.00 1.48 H new ATOM 0 HD12 LEU B 13 12.616 10.884 2.701 1.00 1.48 H new ATOM 0 HD13 LEU B 13 13.571 9.487 2.152 1.00 1.48 H new ATOM 0 HD21 LEU B 13 15.959 11.134 1.148 1.00 1.50 H new ATOM 0 HD22 LEU B 13 15.219 9.807 0.222 1.00 1.50 H new ATOM 0 HD23 LEU B 13 15.376 11.422 -0.509 1.00 1.50 H new ATOM 1989 N LEU B 14 11.041 12.647 2.119 1.00 1.15 N ATOM 1990 CA LEU B 14 10.295 12.661 3.367 1.00 1.07 C ATOM 1991 C LEU B 14 8.873 13.160 3.140 1.00 1.07 C ATOM 1992 O LEU B 14 7.912 12.569 3.634 1.00 1.02 O ATOM 1993 CB LEU B 14 10.997 13.525 4.418 1.00 1.08 C ATOM 1994 CG LEU B 14 10.469 13.368 5.848 1.00 1.04 C ATOM 1995 CD1 LEU B 14 10.787 11.979 6.382 1.00 1.06 C ATOM 1996 CD2 LEU B 14 11.059 14.442 6.757 1.00 1.14 C ATOM 0 H LEU B 14 11.827 13.296 2.085 1.00 1.15 H new ATOM 0 HA LEU B 14 10.250 11.637 3.739 1.00 1.07 H new ATOM 0 HB2 LEU B 14 12.060 13.285 4.412 1.00 1.08 H new ATOM 0 HB3 LEU B 14 10.905 14.571 4.126 1.00 1.08 H new ATOM 0 HG LEU B 14 9.386 13.491 5.832 1.00 1.04 H new ATOM 0 HD11 LEU B 14 10.405 11.884 7.399 1.00 1.06 H new ATOM 0 HD12 LEU B 14 10.317 11.228 5.746 1.00 1.06 H new ATOM 0 HD13 LEU B 14 11.867 11.828 6.384 1.00 1.06 H new ATOM 0 HD21 LEU B 14 10.673 14.315 7.768 1.00 1.14 H new ATOM 0 HD22 LEU B 14 12.145 14.352 6.769 1.00 1.14 H new ATOM 0 HD23 LEU B 14 10.781 15.428 6.384 1.00 1.14 H new ATOM 2008 N LYS B 15 8.742 14.226 2.362 1.00 1.15 N ATOM 2009 CA LYS B 15 7.438 14.802 2.072 1.00 1.18 C ATOM 2010 C LYS B 15 6.609 13.870 1.195 1.00 1.13 C ATOM 2011 O LYS B 15 5.378 13.882 1.251 1.00 1.11 O ATOM 2012 CB LYS B 15 7.599 16.167 1.406 1.00 1.32 C ATOM 2013 CG LYS B 15 7.839 17.284 2.404 1.00 1.46 C ATOM 2014 CD LYS B 15 8.654 18.414 1.804 1.00 1.55 C ATOM 2015 CE LYS B 15 7.918 19.101 0.674 1.00 1.76 C ATOM 2016 NZ LYS B 15 8.525 20.417 0.347 1.00 1.80 N ATOM 0 H LYS B 15 9.524 14.709 1.920 1.00 1.15 H new ATOM 0 HA LYS B 15 6.906 14.934 3.014 1.00 1.18 H new ATOM 0 HB2 LYS B 15 8.432 16.128 0.704 1.00 1.32 H new ATOM 0 HB3 LYS B 15 6.704 16.391 0.826 1.00 1.32 H new ATOM 0 HG2 LYS B 15 6.882 17.672 2.752 1.00 1.46 H new ATOM 0 HG3 LYS B 15 8.357 16.886 3.276 1.00 1.46 H new ATOM 0 HD2 LYS B 15 8.891 19.143 2.579 1.00 1.55 H new ATOM 0 HD3 LYS B 15 9.602 18.022 1.435 1.00 1.55 H new ATOM 0 HE2 LYS B 15 7.931 18.464 -0.210 1.00 1.76 H new ATOM 0 HE3 LYS B 15 6.873 19.240 0.951 1.00 1.76 H new ATOM 0 HZ1 LYS B 15 8.720 20.465 -0.673 1.00 1.80 H new ATOM 0 HZ2 LYS B 15 7.867 21.178 0.610 1.00 1.80 H new ATOM 0 HZ3 LYS B 15 9.414 20.530 0.875 1.00 1.80 H new ATOM 2030 N LYS B 16 7.285 13.058 0.390 1.00 1.14 N ATOM 2031 CA LYS B 16 6.599 12.112 -0.478 1.00 1.14 C ATOM 2032 C LYS B 16 5.953 11.009 0.349 1.00 1.03 C ATOM 2033 O LYS B 16 4.787 10.671 0.147 1.00 1.01 O ATOM 2034 CB LYS B 16 7.568 11.501 -1.494 1.00 1.22 C ATOM 2035 CG LYS B 16 8.070 12.478 -2.548 1.00 1.31 C ATOM 2036 CD LYS B 16 6.941 13.016 -3.412 1.00 1.30 C ATOM 2037 CE LYS B 16 6.219 11.899 -4.153 1.00 1.45 C ATOM 2038 NZ LYS B 16 5.304 12.434 -5.194 1.00 1.65 N ATOM 0 H LYS B 16 8.302 13.036 0.321 1.00 1.14 H new ATOM 0 HA LYS B 16 5.824 12.652 -1.021 1.00 1.14 H new ATOM 0 HB2 LYS B 16 8.424 11.090 -0.960 1.00 1.22 H new ATOM 0 HB3 LYS B 16 7.074 10.668 -1.994 1.00 1.22 H new ATOM 0 HG2 LYS B 16 8.579 13.308 -2.059 1.00 1.31 H new ATOM 0 HG3 LYS B 16 8.806 11.982 -3.181 1.00 1.31 H new ATOM 0 HD2 LYS B 16 6.230 13.557 -2.787 1.00 1.30 H new ATOM 0 HD3 LYS B 16 7.342 13.730 -4.131 1.00 1.30 H new ATOM 0 HE2 LYS B 16 6.951 11.237 -4.616 1.00 1.45 H new ATOM 0 HE3 LYS B 16 5.651 11.298 -3.443 1.00 1.45 H new ATOM 0 HZ1 LYS B 16 4.830 11.645 -5.678 1.00 1.65 H new ATOM 0 HZ2 LYS B 16 4.591 13.046 -4.748 1.00 1.65 H new ATOM 0 HZ3 LYS B 16 5.850 12.986 -5.886 1.00 1.65 H new ATOM 2052 N ILE B 17 6.713 10.461 1.290 1.00 0.98 N ATOM 2053 CA ILE B 17 6.218 9.400 2.159 1.00 0.92 C ATOM 2054 C ILE B 17 5.179 9.945 3.134 1.00 0.89 C ATOM 2055 O ILE B 17 4.213 9.259 3.477 1.00 0.86 O ATOM 2056 CB ILE B 17 7.377 8.727 2.927 1.00 0.94 C ATOM 2057 CG1 ILE B 17 8.413 8.201 1.929 1.00 1.00 C ATOM 2058 CG2 ILE B 17 6.859 7.598 3.808 1.00 1.00 C ATOM 2059 CD1 ILE B 17 9.677 7.669 2.568 1.00 0.96 C ATOM 0 H ILE B 17 7.679 10.735 1.471 1.00 0.98 H new ATOM 0 HA ILE B 17 5.743 8.646 1.531 1.00 0.92 H new ATOM 0 HB ILE B 17 7.848 9.465 3.576 1.00 0.94 H new ATOM 0 HG12 ILE B 17 7.958 7.408 1.335 1.00 1.00 H new ATOM 0 HG13 ILE B 17 8.678 9.004 1.241 1.00 1.00 H new ATOM 0 HG21 ILE B 17 7.693 7.139 4.339 1.00 1.00 H new ATOM 0 HG22 ILE B 17 6.145 7.997 4.529 1.00 1.00 H new ATOM 0 HG23 ILE B 17 6.367 6.849 3.188 1.00 1.00 H new ATOM 0 HD11 ILE B 17 10.357 7.317 1.792 1.00 0.96 H new ATOM 0 HD12 ILE B 17 10.158 8.463 3.139 1.00 0.96 H new ATOM 0 HD13 ILE B 17 9.428 6.843 3.234 1.00 0.96 H new ATOM 2071 N ASP B 18 5.377 11.188 3.562 1.00 0.94 N ATOM 2072 CA ASP B 18 4.446 11.846 4.476 1.00 0.99 C ATOM 2073 C ASP B 18 3.064 11.972 3.837 1.00 0.96 C ATOM 2074 O ASP B 18 2.043 11.749 4.482 1.00 0.94 O ATOM 2075 CB ASP B 18 4.970 13.226 4.871 1.00 1.14 C ATOM 2076 CG ASP B 18 4.034 13.958 5.813 1.00 1.29 C ATOM 2077 OD1 ASP B 18 3.942 13.559 6.994 1.00 1.59 O ATOM 2078 OD2 ASP B 18 3.400 14.947 5.384 1.00 1.88 O ATOM 0 H ASP B 18 6.175 11.762 3.290 1.00 0.94 H new ATOM 0 HA ASP B 18 4.360 11.234 5.374 1.00 0.99 H new ATOM 0 HB2 ASP B 18 5.945 13.118 5.345 1.00 1.14 H new ATOM 0 HB3 ASP B 18 5.117 13.825 3.973 1.00 1.14 H new ATOM 2083 N SER B 19 3.053 12.316 2.560 1.00 0.98 N ATOM 2084 CA SER B 19 1.811 12.463 1.809 1.00 0.99 C ATOM 2085 C SER B 19 1.176 11.098 1.525 1.00 0.91 C ATOM 2086 O SER B 19 -0.047 10.978 1.448 1.00 0.90 O ATOM 2087 CB SER B 19 2.084 13.188 0.492 1.00 1.10 C ATOM 2088 OG SER B 19 2.736 14.424 0.720 1.00 1.21 O ATOM 0 H SER B 19 3.896 12.501 2.016 1.00 0.98 H new ATOM 0 HA SER B 19 1.115 13.048 2.411 1.00 0.99 H new ATOM 0 HB2 SER B 19 2.701 12.561 -0.152 1.00 1.10 H new ATOM 0 HB3 SER B 19 1.145 13.359 -0.034 1.00 1.10 H new ATOM 0 HG SER B 19 3.653 14.259 1.023 1.00 1.21 H new ATOM 2094 N LEU B 20 2.020 10.081 1.379 1.00 0.87 N ATOM 2095 CA LEU B 20 1.576 8.718 1.089 1.00 0.84 C ATOM 2096 C LEU B 20 0.660 8.163 2.180 1.00 0.80 C ATOM 2097 O LEU B 20 -0.447 7.697 1.896 1.00 0.79 O ATOM 2098 CB LEU B 20 2.805 7.818 0.928 1.00 0.86 C ATOM 2099 CG LEU B 20 2.539 6.313 0.908 1.00 0.91 C ATOM 2100 CD1 LEU B 20 2.172 5.864 -0.498 1.00 1.07 C ATOM 2101 CD2 LEU B 20 3.760 5.566 1.423 1.00 1.35 C ATOM 0 H LEU B 20 3.032 10.177 1.458 1.00 0.87 H new ATOM 0 HA LEU B 20 0.996 8.739 0.166 1.00 0.84 H new ATOM 0 HB2 LEU B 20 3.310 8.089 0.001 1.00 0.86 H new ATOM 0 HB3 LEU B 20 3.497 8.033 1.742 1.00 0.86 H new ATOM 0 HG LEU B 20 1.698 6.086 1.563 1.00 0.91 H new ATOM 0 HD11 LEU B 20 1.985 4.790 -0.500 1.00 1.07 H new ATOM 0 HD12 LEU B 20 1.275 6.389 -0.825 1.00 1.07 H new ATOM 0 HD13 LEU B 20 2.993 6.090 -1.178 1.00 1.07 H new ATOM 0 HD21 LEU B 20 3.564 4.494 1.406 1.00 1.35 H new ATOM 0 HD22 LEU B 20 4.617 5.788 0.788 1.00 1.35 H new ATOM 0 HD23 LEU B 20 3.974 5.880 2.445 1.00 1.35 H new ATOM 2113 N ILE B 21 1.111 8.229 3.426 1.00 0.81 N ATOM 2114 CA ILE B 21 0.326 7.709 4.541 1.00 0.82 C ATOM 2115 C ILE B 21 -0.957 8.507 4.746 1.00 0.81 C ATOM 2116 O ILE B 21 -2.001 7.940 5.071 1.00 0.81 O ATOM 2117 CB ILE B 21 1.134 7.689 5.858 1.00 0.88 C ATOM 2118 CG1 ILE B 21 1.922 8.988 6.039 1.00 1.19 C ATOM 2119 CG2 ILE B 21 2.065 6.487 5.896 1.00 1.21 C ATOM 2120 CD1 ILE B 21 1.585 9.724 7.315 1.00 1.38 C ATOM 0 H ILE B 21 2.009 8.634 3.690 1.00 0.81 H new ATOM 0 HA ILE B 21 0.067 6.684 4.278 1.00 0.82 H new ATOM 0 HB ILE B 21 0.429 7.605 6.685 1.00 0.88 H new ATOM 0 HG12 ILE B 21 2.988 8.761 6.030 1.00 1.19 H new ATOM 0 HG13 ILE B 21 1.728 9.643 5.189 1.00 1.19 H new ATOM 0 HG21 ILE B 21 2.625 6.490 6.831 1.00 1.21 H new ATOM 0 HG22 ILE B 21 1.479 5.571 5.827 1.00 1.21 H new ATOM 0 HG23 ILE B 21 2.759 6.538 5.057 1.00 1.21 H new ATOM 0 HD11 ILE B 21 2.180 10.635 7.378 1.00 1.38 H new ATOM 0 HD12 ILE B 21 0.526 9.982 7.317 1.00 1.38 H new ATOM 0 HD13 ILE B 21 1.805 9.087 8.172 1.00 1.38 H new ATOM 2132 N GLU B 22 -0.885 9.814 4.539 1.00 0.83 N ATOM 2133 CA GLU B 22 -2.049 10.675 4.710 1.00 0.86 C ATOM 2134 C GLU B 22 -3.099 10.408 3.635 1.00 0.83 C ATOM 2135 O GLU B 22 -4.298 10.562 3.873 1.00 0.84 O ATOM 2136 CB GLU B 22 -1.638 12.140 4.680 1.00 0.94 C ATOM 2137 CG GLU B 22 -0.734 12.543 5.829 1.00 1.11 C ATOM 2138 CD GLU B 22 -0.754 14.031 6.078 1.00 1.55 C ATOM 2139 OE1 GLU B 22 -0.748 14.800 5.098 1.00 1.98 O ATOM 2140 OE2 GLU B 22 -0.792 14.442 7.257 1.00 1.95 O ATOM 0 H GLU B 22 -0.036 10.302 4.253 1.00 0.83 H new ATOM 0 HA GLU B 22 -2.488 10.447 5.681 1.00 0.86 H new ATOM 0 HB2 GLU B 22 -1.128 12.346 3.739 1.00 0.94 H new ATOM 0 HB3 GLU B 22 -2.534 12.760 4.700 1.00 0.94 H new ATOM 0 HG2 GLU B 22 -1.046 12.021 6.734 1.00 1.11 H new ATOM 0 HG3 GLU B 22 0.287 12.226 5.614 1.00 1.11 H new ATOM 2147 N ALA B 23 -2.635 10.014 2.455 1.00 0.82 N ATOM 2148 CA ALA B 23 -3.522 9.722 1.339 1.00 0.83 C ATOM 2149 C ALA B 23 -4.416 8.532 1.650 1.00 0.79 C ATOM 2150 O ALA B 23 -5.640 8.630 1.568 1.00 0.80 O ATOM 2151 CB ALA B 23 -2.713 9.465 0.076 1.00 0.86 C ATOM 0 H ALA B 23 -1.644 9.889 2.247 1.00 0.82 H new ATOM 0 HA ALA B 23 -4.161 10.590 1.176 1.00 0.83 H new ATOM 0 HB1 ALA B 23 -3.389 9.248 -0.751 1.00 0.86 H new ATOM 0 HB2 ALA B 23 -2.120 10.348 -0.162 1.00 0.86 H new ATOM 0 HB3 ALA B 23 -2.050 8.615 0.235 1.00 0.86 H new ATOM 2157 N ILE B 24 -3.802 7.416 2.027 1.00 0.78 N ATOM 2158 CA ILE B 24 -4.552 6.208 2.352 1.00 0.78 C ATOM 2159 C ILE B 24 -5.449 6.430 3.563 1.00 0.74 C ATOM 2160 O ILE B 24 -6.591 5.970 3.595 1.00 0.74 O ATOM 2161 CB ILE B 24 -3.622 5.010 2.637 1.00 0.83 C ATOM 2162 CG1 ILE B 24 -2.696 4.761 1.448 1.00 0.99 C ATOM 2163 CG2 ILE B 24 -4.438 3.757 2.942 1.00 1.03 C ATOM 2164 CD1 ILE B 24 -1.870 3.501 1.585 1.00 0.89 C ATOM 0 H ILE B 24 -2.790 7.322 2.115 1.00 0.78 H new ATOM 0 HA ILE B 24 -5.162 5.980 1.478 1.00 0.78 H new ATOM 0 HB ILE B 24 -3.014 5.248 3.510 1.00 0.83 H new ATOM 0 HG12 ILE B 24 -3.293 4.698 0.538 1.00 0.99 H new ATOM 0 HG13 ILE B 24 -2.028 5.614 1.332 1.00 0.99 H new ATOM 0 HG21 ILE B 24 -3.764 2.923 3.140 1.00 1.03 H new ATOM 0 HG22 ILE B 24 -5.063 3.934 3.817 1.00 1.03 H new ATOM 0 HG23 ILE B 24 -5.070 3.517 2.087 1.00 1.03 H new ATOM 0 HD11 ILE B 24 -1.235 3.385 0.707 1.00 0.89 H new ATOM 0 HD12 ILE B 24 -1.247 3.570 2.477 1.00 0.89 H new ATOM 0 HD13 ILE B 24 -2.532 2.639 1.670 1.00 0.89 H new ATOM 2176 N LYS B 25 -4.929 7.149 4.550 1.00 0.74 N ATOM 2177 CA LYS B 25 -5.675 7.431 5.766 1.00 0.75 C ATOM 2178 C LYS B 25 -6.977 8.163 5.457 1.00 0.78 C ATOM 2179 O LYS B 25 -7.992 7.953 6.118 1.00 0.80 O ATOM 2180 CB LYS B 25 -4.821 8.255 6.733 1.00 0.79 C ATOM 2181 CG LYS B 25 -5.476 8.479 8.089 1.00 0.88 C ATOM 2182 CD LYS B 25 -5.705 7.166 8.829 1.00 1.17 C ATOM 2183 CE LYS B 25 -6.865 7.276 9.804 1.00 1.48 C ATOM 2184 NZ LYS B 25 -6.603 8.276 10.869 1.00 1.72 N ATOM 0 H LYS B 25 -3.990 7.548 4.530 1.00 0.74 H new ATOM 0 HA LYS B 25 -5.926 6.480 6.236 1.00 0.75 H new ATOM 0 HB2 LYS B 25 -3.866 7.751 6.880 1.00 0.79 H new ATOM 0 HB3 LYS B 25 -4.605 9.222 6.279 1.00 0.79 H new ATOM 0 HG2 LYS B 25 -4.847 9.132 8.693 1.00 0.88 H new ATOM 0 HG3 LYS B 25 -6.429 8.991 7.953 1.00 0.88 H new ATOM 0 HD2 LYS B 25 -5.906 6.371 8.110 1.00 1.17 H new ATOM 0 HD3 LYS B 25 -4.799 6.887 9.368 1.00 1.17 H new ATOM 0 HE2 LYS B 25 -7.769 7.552 9.262 1.00 1.48 H new ATOM 0 HE3 LYS B 25 -7.050 6.303 10.258 1.00 1.48 H new ATOM 0 HZ1 LYS B 25 -7.372 8.248 11.569 1.00 1.72 H new ATOM 0 HZ2 LYS B 25 -5.701 8.056 11.337 1.00 1.72 H new ATOM 0 HZ3 LYS B 25 -6.553 9.226 10.448 1.00 1.72 H new ATOM 2198 N LYS B 26 -6.946 9.022 4.450 1.00 0.80 N ATOM 2199 CA LYS B 26 -8.136 9.761 4.063 1.00 0.85 C ATOM 2200 C LYS B 26 -9.103 8.867 3.299 1.00 0.83 C ATOM 2201 O LYS B 26 -10.315 8.975 3.464 1.00 0.86 O ATOM 2202 CB LYS B 26 -7.766 10.976 3.213 1.00 0.91 C ATOM 2203 CG LYS B 26 -7.914 12.306 3.945 1.00 1.01 C ATOM 2204 CD LYS B 26 -9.377 12.648 4.211 1.00 1.13 C ATOM 2205 CE LYS B 26 -9.711 12.576 5.695 1.00 1.38 C ATOM 2206 NZ LYS B 26 -11.079 13.085 5.990 1.00 1.39 N ATOM 0 H LYS B 26 -6.117 9.223 3.891 1.00 0.80 H new ATOM 0 HA LYS B 26 -8.626 10.107 4.973 1.00 0.85 H new ATOM 0 HB2 LYS B 26 -6.735 10.871 2.874 1.00 0.91 H new ATOM 0 HB3 LYS B 26 -8.394 10.990 2.322 1.00 0.91 H new ATOM 0 HG2 LYS B 26 -7.373 12.262 4.891 1.00 1.01 H new ATOM 0 HG3 LYS B 26 -7.457 13.099 3.353 1.00 1.01 H new ATOM 0 HD2 LYS B 26 -9.590 13.650 3.838 1.00 1.13 H new ATOM 0 HD3 LYS B 26 -10.018 11.960 3.660 1.00 1.13 H new ATOM 0 HE2 LYS B 26 -9.629 11.543 6.034 1.00 1.38 H new ATOM 0 HE3 LYS B 26 -8.980 13.156 6.259 1.00 1.38 H new ATOM 0 HZ1 LYS B 26 -11.421 12.666 6.878 1.00 1.39 H new ATOM 0 HZ2 LYS B 26 -11.051 14.120 6.084 1.00 1.39 H new ATOM 0 HZ3 LYS B 26 -11.721 12.825 5.214 1.00 1.39 H new ATOM 2220 N ILE B 27 -8.555 7.979 2.473 1.00 0.80 N ATOM 2221 CA ILE B 27 -9.365 7.063 1.675 1.00 0.81 C ATOM 2222 C ILE B 27 -10.284 6.226 2.559 1.00 0.80 C ATOM 2223 O ILE B 27 -11.495 6.181 2.341 1.00 0.82 O ATOM 2224 CB ILE B 27 -8.487 6.114 0.831 1.00 0.81 C ATOM 2225 CG1 ILE B 27 -7.614 6.911 -0.139 1.00 0.79 C ATOM 2226 CG2 ILE B 27 -9.350 5.113 0.070 1.00 0.90 C ATOM 2227 CD1 ILE B 27 -6.655 6.052 -0.935 1.00 1.04 C ATOM 0 H ILE B 27 -7.549 7.875 2.339 1.00 0.80 H new ATOM 0 HA ILE B 27 -9.965 7.681 1.007 1.00 0.81 H new ATOM 0 HB ILE B 27 -7.836 5.561 1.508 1.00 0.81 H new ATOM 0 HG12 ILE B 27 -8.257 7.458 -0.828 1.00 0.79 H new ATOM 0 HG13 ILE B 27 -7.045 7.652 0.422 1.00 0.79 H new ATOM 0 HG21 ILE B 27 -8.711 4.454 -0.518 1.00 0.90 H new ATOM 0 HG22 ILE B 27 -9.929 4.520 0.778 1.00 0.90 H new ATOM 0 HG23 ILE B 27 -10.028 5.648 -0.595 1.00 0.90 H new ATOM 0 HD11 ILE B 27 -6.068 6.684 -1.602 1.00 1.04 H new ATOM 0 HD12 ILE B 27 -5.987 5.525 -0.254 1.00 1.04 H new ATOM 0 HD13 ILE B 27 -7.218 5.328 -1.524 1.00 1.04 H new ATOM 2239 N ILE B 28 -9.703 5.585 3.565 1.00 0.78 N ATOM 2240 CA ILE B 28 -10.461 4.734 4.470 1.00 0.78 C ATOM 2241 C ILE B 28 -11.509 5.541 5.250 1.00 0.81 C ATOM 2242 O ILE B 28 -12.615 5.054 5.509 1.00 0.84 O ATOM 2243 CB ILE B 28 -9.526 3.976 5.448 1.00 0.77 C ATOM 2244 CG1 ILE B 28 -10.292 2.886 6.196 1.00 0.80 C ATOM 2245 CG2 ILE B 28 -8.865 4.920 6.439 1.00 0.82 C ATOM 2246 CD1 ILE B 28 -10.525 1.639 5.372 1.00 0.97 C ATOM 0 H ILE B 28 -8.706 5.639 3.774 1.00 0.78 H new ATOM 0 HA ILE B 28 -10.983 3.998 3.858 1.00 0.78 H new ATOM 0 HB ILE B 28 -8.742 3.512 4.850 1.00 0.77 H new ATOM 0 HG12 ILE B 28 -9.740 2.619 7.097 1.00 0.80 H new ATOM 0 HG13 ILE B 28 -11.254 3.285 6.518 1.00 0.80 H new ATOM 0 HG21 ILE B 28 -8.218 4.351 7.107 1.00 0.82 H new ATOM 0 HG22 ILE B 28 -8.271 5.657 5.899 1.00 0.82 H new ATOM 0 HG23 ILE B 28 -9.631 5.429 7.023 1.00 0.82 H new ATOM 0 HD11 ILE B 28 -11.074 0.908 5.966 1.00 0.97 H new ATOM 0 HD12 ILE B 28 -11.103 1.893 4.484 1.00 0.97 H new ATOM 0 HD13 ILE B 28 -9.566 1.216 5.072 1.00 0.97 H new ATOM 2258 N ALA B 29 -11.162 6.781 5.593 1.00 0.82 N ATOM 2259 CA ALA B 29 -12.055 7.650 6.349 1.00 0.87 C ATOM 2260 C ALA B 29 -13.282 8.042 5.534 1.00 0.90 C ATOM 2261 O ALA B 29 -14.414 7.870 5.985 1.00 0.93 O ATOM 2262 CB ALA B 29 -11.308 8.894 6.813 1.00 0.90 C ATOM 0 H ALA B 29 -10.265 7.205 5.357 1.00 0.82 H new ATOM 0 HA ALA B 29 -12.402 7.094 7.220 1.00 0.87 H new ATOM 0 HB1 ALA B 29 -11.985 9.536 7.377 1.00 0.90 H new ATOM 0 HB2 ALA B 29 -10.473 8.601 7.449 1.00 0.90 H new ATOM 0 HB3 ALA B 29 -10.931 9.437 5.946 1.00 0.90 H new ATOM 2268 N GLU B 30 -13.061 8.558 4.330 1.00 0.91 N ATOM 2269 CA GLU B 30 -14.162 8.976 3.471 1.00 0.95 C ATOM 2270 C GLU B 30 -15.061 7.793 3.121 1.00 0.95 C ATOM 2271 O GLU B 30 -16.278 7.941 3.020 1.00 0.96 O ATOM 2272 CB GLU B 30 -13.636 9.630 2.188 1.00 1.00 C ATOM 2273 CG GLU B 30 -12.618 10.740 2.425 1.00 1.02 C ATOM 2274 CD GLU B 30 -13.156 11.881 3.270 1.00 1.13 C ATOM 2275 OE1 GLU B 30 -13.815 12.782 2.713 1.00 1.38 O ATOM 2276 OE2 GLU B 30 -12.901 11.896 4.493 1.00 1.18 O ATOM 0 H GLU B 30 -12.134 8.696 3.928 1.00 0.91 H new ATOM 0 HA GLU B 30 -14.751 9.710 4.022 1.00 0.95 H new ATOM 0 HB2 GLU B 30 -13.181 8.862 1.562 1.00 1.00 H new ATOM 0 HB3 GLU B 30 -14.479 10.038 1.630 1.00 1.00 H new ATOM 0 HG2 GLU B 30 -11.739 10.319 2.914 1.00 1.02 H new ATOM 0 HG3 GLU B 30 -12.290 11.133 1.463 1.00 1.02 H new ATOM 2283 N PHE B 31 -14.455 6.617 2.970 1.00 0.96 N ATOM 2284 CA PHE B 31 -15.187 5.401 2.617 1.00 0.99 C ATOM 2285 C PHE B 31 -16.319 5.091 3.602 1.00 0.97 C ATOM 2286 O PHE B 31 -17.470 4.908 3.196 1.00 1.01 O ATOM 2287 CB PHE B 31 -14.232 4.207 2.541 1.00 1.01 C ATOM 2288 CG PHE B 31 -14.065 3.657 1.157 1.00 1.04 C ATOM 2289 CD1 PHE B 31 -14.981 2.752 0.643 1.00 1.68 C ATOM 2290 CD2 PHE B 31 -12.986 4.032 0.373 1.00 1.50 C ATOM 2291 CE1 PHE B 31 -14.827 2.237 -0.632 1.00 1.83 C ATOM 2292 CE2 PHE B 31 -12.828 3.524 -0.899 1.00 1.59 C ATOM 2293 CZ PHE B 31 -13.746 2.622 -1.402 1.00 1.37 C ATOM 0 H PHE B 31 -13.451 6.480 3.088 1.00 0.96 H new ATOM 0 HA PHE B 31 -15.638 5.578 1.641 1.00 0.99 H new ATOM 0 HB2 PHE B 31 -13.257 4.508 2.923 1.00 1.01 H new ATOM 0 HB3 PHE B 31 -14.600 3.416 3.195 1.00 1.01 H new ATOM 0 HD1 PHE B 31 -15.824 2.446 1.244 1.00 1.68 H new ATOM 0 HD2 PHE B 31 -12.260 4.730 0.763 1.00 1.50 H new ATOM 0 HE1 PHE B 31 -15.549 1.536 -1.024 1.00 1.83 H new ATOM 0 HE2 PHE B 31 -11.987 3.831 -1.502 1.00 1.59 H new ATOM 0 HZ PHE B 31 -13.619 2.218 -2.396 1.00 1.37 H new ATOM 2303 N ASP B 32 -16.004 5.035 4.893 1.00 0.94 N ATOM 2304 CA ASP B 32 -17.023 4.723 5.891 1.00 0.93 C ATOM 2305 C ASP B 32 -17.968 5.899 6.115 1.00 0.93 C ATOM 2306 O ASP B 32 -19.149 5.700 6.409 1.00 0.96 O ATOM 2307 CB ASP B 32 -16.405 4.249 7.219 1.00 0.94 C ATOM 2308 CG ASP B 32 -15.550 5.285 7.923 1.00 1.20 C ATOM 2309 OD1 ASP B 32 -16.104 6.274 8.446 1.00 1.64 O ATOM 2310 OD2 ASP B 32 -14.320 5.087 8.003 1.00 1.54 O ATOM 0 H ASP B 32 -15.070 5.198 5.268 1.00 0.94 H new ATOM 0 HA ASP B 32 -17.610 3.895 5.492 1.00 0.93 H new ATOM 0 HB2 ASP B 32 -17.208 3.943 7.890 1.00 0.94 H new ATOM 0 HB3 ASP B 32 -15.797 3.365 7.027 1.00 0.94 H new ATOM 2315 N VAL B 33 -17.462 7.119 5.961 1.00 0.92 N ATOM 2316 CA VAL B 33 -18.291 8.304 6.146 1.00 0.93 C ATOM 2317 C VAL B 33 -19.376 8.361 5.075 1.00 0.94 C ATOM 2318 O VAL B 33 -20.551 8.586 5.373 1.00 0.95 O ATOM 2319 CB VAL B 33 -17.454 9.602 6.111 1.00 0.94 C ATOM 2320 CG1 VAL B 33 -18.358 10.827 6.098 1.00 1.00 C ATOM 2321 CG2 VAL B 33 -16.511 9.659 7.302 1.00 0.92 C ATOM 0 H VAL B 33 -16.492 7.312 5.711 1.00 0.92 H new ATOM 0 HA VAL B 33 -18.753 8.229 7.131 1.00 0.93 H new ATOM 0 HB VAL B 33 -16.863 9.600 5.195 1.00 0.94 H new ATOM 0 HG11 VAL B 33 -17.747 11.730 6.073 1.00 1.00 H new ATOM 0 HG12 VAL B 33 -18.998 10.798 5.216 1.00 1.00 H new ATOM 0 HG13 VAL B 33 -18.977 10.832 6.995 1.00 1.00 H new ATOM 0 HG21 VAL B 33 -15.929 10.580 7.262 1.00 0.92 H new ATOM 0 HG22 VAL B 33 -17.089 9.636 8.226 1.00 0.92 H new ATOM 0 HG23 VAL B 33 -15.837 8.803 7.274 1.00 0.92 H new ATOM 2331 N VAL B 34 -18.979 8.125 3.828 1.00 0.96 N ATOM 2332 CA VAL B 34 -19.913 8.140 2.706 1.00 0.99 C ATOM 2333 C VAL B 34 -20.938 7.016 2.857 1.00 1.00 C ATOM 2334 O VAL B 34 -22.097 7.172 2.489 1.00 1.02 O ATOM 2335 CB VAL B 34 -19.170 8.012 1.351 1.00 1.02 C ATOM 2336 CG1 VAL B 34 -20.138 7.764 0.203 1.00 1.21 C ATOM 2337 CG2 VAL B 34 -18.353 9.264 1.079 1.00 1.13 C ATOM 0 H VAL B 34 -18.014 7.921 3.568 1.00 0.96 H new ATOM 0 HA VAL B 34 -20.432 9.098 2.714 1.00 0.99 H new ATOM 0 HB VAL B 34 -18.503 7.153 1.420 1.00 1.02 H new ATOM 0 HG11 VAL B 34 -19.581 7.680 -0.730 1.00 1.21 H new ATOM 0 HG12 VAL B 34 -20.687 6.840 0.383 1.00 1.21 H new ATOM 0 HG13 VAL B 34 -20.840 8.595 0.133 1.00 1.21 H new ATOM 0 HG21 VAL B 34 -17.836 9.161 0.125 1.00 1.13 H new ATOM 0 HG22 VAL B 34 -19.015 10.129 1.042 1.00 1.13 H new ATOM 0 HG23 VAL B 34 -17.621 9.401 1.875 1.00 1.13 H new ATOM 2347 N LYS B 35 -20.508 5.899 3.435 1.00 1.01 N ATOM 2348 CA LYS B 35 -21.385 4.753 3.650 1.00 1.05 C ATOM 2349 C LYS B 35 -22.568 5.128 4.547 1.00 1.03 C ATOM 2350 O LYS B 35 -23.719 4.794 4.255 1.00 1.05 O ATOM 2351 CB LYS B 35 -20.589 3.601 4.276 1.00 1.08 C ATOM 2352 CG LYS B 35 -21.454 2.450 4.751 1.00 1.13 C ATOM 2353 CD LYS B 35 -20.672 1.486 5.630 1.00 1.32 C ATOM 2354 CE LYS B 35 -21.559 0.365 6.158 1.00 1.51 C ATOM 2355 NZ LYS B 35 -22.378 -0.255 5.084 1.00 1.86 N ATOM 0 H LYS B 35 -19.552 5.763 3.765 1.00 1.01 H new ATOM 0 HA LYS B 35 -21.781 4.435 2.686 1.00 1.05 H new ATOM 0 HB2 LYS B 35 -19.872 3.227 3.545 1.00 1.08 H new ATOM 0 HB3 LYS B 35 -20.014 3.984 5.119 1.00 1.08 H new ATOM 0 HG2 LYS B 35 -22.306 2.840 5.307 1.00 1.13 H new ATOM 0 HG3 LYS B 35 -21.854 1.915 3.889 1.00 1.13 H new ATOM 0 HD2 LYS B 35 -19.847 1.060 5.060 1.00 1.32 H new ATOM 0 HD3 LYS B 35 -20.234 2.029 6.467 1.00 1.32 H new ATOM 0 HE2 LYS B 35 -20.937 -0.399 6.625 1.00 1.51 H new ATOM 0 HE3 LYS B 35 -22.217 0.759 6.933 1.00 1.51 H new ATOM 0 HZ1 LYS B 35 -22.794 -1.142 5.433 1.00 1.86 H new ATOM 0 HZ2 LYS B 35 -23.138 0.398 4.806 1.00 1.86 H new ATOM 0 HZ3 LYS B 35 -21.776 -0.456 4.260 1.00 1.86 H new ATOM 2369 N GLU B 36 -22.280 5.812 5.645 1.00 1.00 N ATOM 2370 CA GLU B 36 -23.326 6.226 6.572 1.00 1.00 C ATOM 2371 C GLU B 36 -24.141 7.388 6.001 1.00 0.96 C ATOM 2372 O GLU B 36 -25.348 7.482 6.222 1.00 0.97 O ATOM 2373 CB GLU B 36 -22.722 6.611 7.923 1.00 1.01 C ATOM 2374 CG GLU B 36 -23.734 6.626 9.060 1.00 1.15 C ATOM 2375 CD GLU B 36 -24.528 5.336 9.162 1.00 1.29 C ATOM 2376 OE1 GLU B 36 -23.911 4.263 9.332 1.00 1.57 O ATOM 2377 OE2 GLU B 36 -25.776 5.384 9.070 1.00 1.40 O ATOM 0 H GLU B 36 -21.337 6.091 5.916 1.00 1.00 H new ATOM 0 HA GLU B 36 -23.999 5.381 6.718 1.00 1.00 H new ATOM 0 HB2 GLU B 36 -21.923 5.911 8.168 1.00 1.01 H new ATOM 0 HB3 GLU B 36 -22.266 7.598 7.840 1.00 1.01 H new ATOM 0 HG2 GLU B 36 -23.213 6.801 10.001 1.00 1.15 H new ATOM 0 HG3 GLU B 36 -24.422 7.459 8.917 1.00 1.15 H new ATOM 2384 N SER B 37 -23.496 8.253 5.245 1.00 0.00 N ATOM 2385 CA SER B 37 -24.156 9.418 4.664 1.00 0.00 C ATOM 2386 C SER B 37 -25.213 9.001 3.669 1.00 0.00 C ATOM 2387 O SER B 37 -26.313 9.574 3.658 1.00 0.00 O ATOM 2388 CB SER B 37 -23.120 10.378 4.026 1.00 0.00 C ATOM 2389 OG SER B 37 -22.245 10.972 4.990 1.00 0.00 O ATOM 0 H SER B 37 -22.506 8.175 5.014 1.00 0.00 H new ATOM 0 HA SER B 37 -24.658 9.960 5.466 1.00 0.00 H new ATOM 0 HB2 SER B 37 -22.527 9.830 3.293 1.00 0.00 H new ATOM 0 HB3 SER B 37 -23.646 11.165 3.486 1.00 0.00 H new ATOM 0 HG SER B 37 -21.581 10.312 5.280 1.00 0.00 H new ATOM 2395 N VAL B 38 -24.914 8.040 2.798 1.00 0.96 N ATOM 2396 CA VAL B 38 -25.879 7.580 1.801 1.00 1.00 C ATOM 2397 C VAL B 38 -27.043 6.887 2.490 1.00 1.02 C ATOM 2398 O VAL B 38 -28.162 6.869 1.980 1.00 1.04 O ATOM 2399 CB VAL B 38 -25.258 6.642 0.738 1.00 1.05 C ATOM 2400 CG1 VAL B 38 -24.228 7.385 -0.095 1.00 1.05 C ATOM 2401 CG2 VAL B 38 -24.642 5.405 1.374 1.00 1.07 C ATOM 0 H VAL B 38 -24.012 7.565 2.762 1.00 0.96 H new ATOM 0 HA VAL B 38 -26.229 8.465 1.270 1.00 1.00 H new ATOM 0 HB VAL B 38 -26.062 6.309 0.082 1.00 1.05 H new ATOM 0 HG11 VAL B 38 -23.803 6.708 -0.836 1.00 1.05 H new ATOM 0 HG12 VAL B 38 -24.706 8.224 -0.601 1.00 1.05 H new ATOM 0 HG13 VAL B 38 -23.435 7.757 0.554 1.00 1.05 H new ATOM 0 HG21 VAL B 38 -24.216 4.770 0.597 1.00 1.07 H new ATOM 0 HG22 VAL B 38 -23.857 5.705 2.068 1.00 1.07 H new ATOM 0 HG23 VAL B 38 -25.411 4.852 1.913 1.00 1.07 H new ATOM 2411 N ASN B 39 -26.764 6.329 3.661 1.00 1.03 N ATOM 2412 CA ASN B 39 -27.776 5.644 4.456 1.00 1.07 C ATOM 2413 C ASN B 39 -28.855 6.642 4.867 1.00 1.05 C ATOM 2414 O ASN B 39 -30.050 6.383 4.729 1.00 1.08 O ATOM 2415 CB ASN B 39 -27.121 5.019 5.693 1.00 1.11 C ATOM 2416 CG ASN B 39 -28.027 4.054 6.433 1.00 1.20 C ATOM 2417 OD1 ASN B 39 -28.873 3.388 5.836 1.00 1.25 O ATOM 2418 ND2 ASN B 39 -27.841 3.961 7.741 1.00 1.25 N ATOM 0 H ASN B 39 -25.836 6.338 4.085 1.00 1.03 H new ATOM 0 HA ASN B 39 -28.236 4.850 3.867 1.00 1.07 H new ATOM 0 HB2 ASN B 39 -26.215 4.494 5.389 1.00 1.11 H new ATOM 0 HB3 ASN B 39 -26.816 5.814 6.374 1.00 1.11 H new ATOM 0 HD21 ASN B 39 -28.410 3.319 8.293 1.00 1.25 H new ATOM 0 HD22 ASN B 39 -27.129 4.531 8.197 1.00 1.25 H new ATOM 2425 N GLU B 40 -28.414 7.802 5.335 1.00 1.02 N ATOM 2426 CA GLU B 40 -29.319 8.866 5.756 1.00 1.02 C ATOM 2427 C GLU B 40 -30.016 9.487 4.551 1.00 0.98 C ATOM 2428 O GLU B 40 -31.215 9.764 4.588 1.00 1.01 O ATOM 2429 CB GLU B 40 -28.541 9.937 6.521 1.00 1.04 C ATOM 2430 CG GLU B 40 -28.823 9.956 8.013 1.00 1.24 C ATOM 2431 CD GLU B 40 -30.211 10.462 8.331 1.00 1.46 C ATOM 2432 OE1 GLU B 40 -30.374 11.691 8.477 1.00 2.04 O ATOM 2433 OE2 GLU B 40 -31.145 9.638 8.431 1.00 1.92 O ATOM 0 H GLU B 40 -27.425 8.032 5.434 1.00 1.02 H new ATOM 0 HA GLU B 40 -30.079 8.438 6.410 1.00 1.02 H new ATOM 0 HB2 GLU B 40 -27.474 9.778 6.365 1.00 1.04 H new ATOM 0 HB3 GLU B 40 -28.782 10.915 6.103 1.00 1.04 H new ATOM 0 HG2 GLU B 40 -28.705 8.950 8.415 1.00 1.24 H new ATOM 0 HG3 GLU B 40 -28.086 10.586 8.511 1.00 1.24 H new ATOM 2440 N LEU B 41 -29.257 9.676 3.479 1.00 0.95 N ATOM 2441 CA LEU B 41 -29.774 10.259 2.246 1.00 0.94 C ATOM 2442 C LEU B 41 -30.955 9.452 1.711 1.00 0.95 C ATOM 2443 O LEU B 41 -31.988 10.012 1.346 1.00 0.97 O ATOM 2444 CB LEU B 41 -28.659 10.318 1.197 1.00 0.92 C ATOM 2445 CG LEU B 41 -29.107 10.653 -0.226 1.00 0.97 C ATOM 2446 CD1 LEU B 41 -29.706 12.051 -0.291 1.00 1.08 C ATOM 2447 CD2 LEU B 41 -27.935 10.526 -1.187 1.00 1.01 C ATOM 0 H LEU B 41 -28.268 9.430 3.439 1.00 0.95 H new ATOM 0 HA LEU B 41 -30.125 11.268 2.461 1.00 0.94 H new ATOM 0 HB2 LEU B 41 -27.927 11.061 1.513 1.00 0.92 H new ATOM 0 HB3 LEU B 41 -28.149 9.355 1.181 1.00 0.92 H new ATOM 0 HG LEU B 41 -29.880 9.943 -0.521 1.00 0.97 H new ATOM 0 HD11 LEU B 41 -30.017 12.266 -1.313 1.00 1.08 H new ATOM 0 HD12 LEU B 41 -30.570 12.108 0.371 1.00 1.08 H new ATOM 0 HD13 LEU B 41 -28.960 12.781 0.023 1.00 1.08 H new ATOM 0 HD21 LEU B 41 -28.265 10.767 -2.197 1.00 1.01 H new ATOM 0 HD22 LEU B 41 -27.144 11.215 -0.890 1.00 1.01 H new ATOM 0 HD23 LEU B 41 -27.554 9.505 -1.163 1.00 1.01 H new ATOM 2459 N SER B 42 -30.801 8.138 1.690 1.00 0.97 N ATOM 2460 CA SER B 42 -31.843 7.249 1.196 1.00 1.01 C ATOM 2461 C SER B 42 -33.097 7.317 2.069 1.00 1.02 C ATOM 2462 O SER B 42 -34.216 7.166 1.574 1.00 1.03 O ATOM 2463 CB SER B 42 -31.317 5.815 1.143 1.00 1.07 C ATOM 2464 OG SER B 42 -30.094 5.746 0.426 1.00 1.56 O ATOM 0 H SER B 42 -29.959 7.660 2.011 1.00 0.97 H new ATOM 0 HA SER B 42 -32.118 7.574 0.192 1.00 1.01 H new ATOM 0 HB2 SER B 42 -31.170 5.441 2.156 1.00 1.07 H new ATOM 0 HB3 SER B 42 -32.057 5.170 0.669 1.00 1.07 H new ATOM 0 HG SER B 42 -29.366 6.087 0.987 1.00 1.56 H new ATOM 2470 N GLU B 43 -32.904 7.556 3.361 1.00 1.04 N ATOM 2471 CA GLU B 43 -34.017 7.641 4.299 1.00 1.07 C ATOM 2472 C GLU B 43 -34.887 8.863 4.011 1.00 1.05 C ATOM 2473 O GLU B 43 -36.106 8.820 4.180 1.00 1.10 O ATOM 2474 CB GLU B 43 -33.505 7.685 5.744 1.00 1.12 C ATOM 2475 CG GLU B 43 -34.568 7.326 6.767 1.00 1.24 C ATOM 2476 CD GLU B 43 -34.860 8.456 7.727 1.00 1.41 C ATOM 2477 OE1 GLU B 43 -35.198 9.565 7.264 1.00 1.56 O ATOM 2478 OE2 GLU B 43 -34.752 8.243 8.953 1.00 1.92 O ATOM 0 H GLU B 43 -31.986 7.695 3.783 1.00 1.04 H new ATOM 0 HA GLU B 43 -34.629 6.748 4.171 1.00 1.07 H new ATOM 0 HB2 GLU B 43 -32.665 6.998 5.846 1.00 1.12 H new ATOM 0 HB3 GLU B 43 -33.127 8.685 5.958 1.00 1.12 H new ATOM 0 HG2 GLU B 43 -35.486 7.049 6.249 1.00 1.24 H new ATOM 0 HG3 GLU B 43 -34.243 6.451 7.330 1.00 1.24 H new ATOM 2485 N LYS B 44 -34.266 9.942 3.547 1.00 1.00 N ATOM 2486 CA LYS B 44 -35.000 11.169 3.257 1.00 1.00 C ATOM 2487 C LYS B 44 -35.617 11.123 1.865 1.00 0.98 C ATOM 2488 O LYS B 44 -36.777 11.493 1.676 1.00 1.03 O ATOM 2489 CB LYS B 44 -34.071 12.387 3.361 1.00 1.01 C ATOM 2490 CG LYS B 44 -33.160 12.381 4.579 1.00 1.06 C ATOM 2491 CD LYS B 44 -33.942 12.242 5.873 1.00 1.17 C ATOM 2492 CE LYS B 44 -33.019 12.308 7.078 1.00 1.32 C ATOM 2493 NZ LYS B 44 -33.388 11.323 8.128 1.00 1.35 N ATOM 0 H LYS B 44 -33.264 9.993 3.365 1.00 1.00 H new ATOM 0 HA LYS B 44 -35.799 11.258 3.993 1.00 1.00 H new ATOM 0 HB2 LYS B 44 -33.456 12.437 2.463 1.00 1.01 H new ATOM 0 HB3 LYS B 44 -34.679 13.291 3.382 1.00 1.01 H new ATOM 0 HG2 LYS B 44 -32.448 11.560 4.495 1.00 1.06 H new ATOM 0 HG3 LYS B 44 -32.580 13.304 4.603 1.00 1.06 H new ATOM 0 HD2 LYS B 44 -34.688 13.034 5.938 1.00 1.17 H new ATOM 0 HD3 LYS B 44 -34.482 11.295 5.876 1.00 1.17 H new ATOM 0 HE2 LYS B 44 -31.993 12.126 6.757 1.00 1.32 H new ATOM 0 HE3 LYS B 44 -33.048 13.313 7.500 1.00 1.32 H new ATOM 0 HZ1 LYS B 44 -33.464 11.806 9.046 1.00 1.35 H new ATOM 0 HZ2 LYS B 44 -34.302 10.887 7.889 1.00 1.35 H new ATOM 0 HZ3 LYS B 44 -32.657 10.586 8.185 1.00 1.35 H new ATOM 2507 N ALA B 45 -34.843 10.636 0.901 1.00 0.98 N ATOM 2508 CA ALA B 45 -35.287 10.554 -0.490 1.00 0.99 C ATOM 2509 C ALA B 45 -36.451 9.588 -0.670 1.00 1.01 C ATOM 2510 O ALA B 45 -37.189 9.670 -1.649 1.00 1.03 O ATOM 2511 CB ALA B 45 -34.125 10.151 -1.382 1.00 1.01 C ATOM 0 H ALA B 45 -33.897 10.289 1.058 1.00 0.98 H new ATOM 0 HA ALA B 45 -35.644 11.543 -0.778 1.00 0.99 H new ATOM 0 HB1 ALA B 45 -34.464 10.092 -2.416 1.00 1.01 H new ATOM 0 HB2 ALA B 45 -33.331 10.893 -1.302 1.00 1.01 H new ATOM 0 HB3 ALA B 45 -33.746 9.178 -1.068 1.00 1.01 H new ATOM 2517 N LYS B 46 -36.612 8.682 0.279 1.00 1.04 N ATOM 2518 CA LYS B 46 -37.686 7.698 0.228 1.00 1.10 C ATOM 2519 C LYS B 46 -39.047 8.366 0.391 1.00 1.12 C ATOM 2520 O LYS B 46 -40.079 7.777 0.079 1.00 1.18 O ATOM 2521 CB LYS B 46 -37.491 6.657 1.327 1.00 1.18 C ATOM 2522 CG LYS B 46 -38.092 5.298 0.997 1.00 1.46 C ATOM 2523 CD LYS B 46 -38.204 4.420 2.233 1.00 1.98 C ATOM 2524 CE LYS B 46 -36.836 4.101 2.815 1.00 2.66 C ATOM 2525 NZ LYS B 46 -36.941 3.383 4.110 1.00 3.40 N ATOM 0 H LYS B 46 -36.011 8.605 1.099 1.00 1.04 H new ATOM 0 HA LYS B 46 -37.654 7.211 -0.746 1.00 1.10 H new ATOM 0 HB2 LYS B 46 -36.424 6.536 1.516 1.00 1.18 H new ATOM 0 HB3 LYS B 46 -37.938 7.028 2.250 1.00 1.18 H new ATOM 0 HG2 LYS B 46 -39.079 5.434 0.556 1.00 1.46 H new ATOM 0 HG3 LYS B 46 -37.475 4.799 0.250 1.00 1.46 H new ATOM 0 HD2 LYS B 46 -38.812 4.924 2.985 1.00 1.98 H new ATOM 0 HD3 LYS B 46 -38.717 3.493 1.977 1.00 1.98 H new ATOM 0 HE2 LYS B 46 -36.273 3.493 2.107 1.00 2.66 H new ATOM 0 HE3 LYS B 46 -36.277 5.026 2.957 1.00 2.66 H new ATOM 0 HZ1 LYS B 46 -35.988 3.183 4.475 1.00 3.40 H new ATOM 0 HZ2 LYS B 46 -37.456 3.973 4.794 1.00 3.40 H new ATOM 0 HZ3 LYS B 46 -37.453 2.488 3.970 1.00 3.40 H new ATOM 2539 N THR B 47 -39.044 9.603 0.870 1.00 1.10 N ATOM 2540 CA THR B 47 -40.278 10.342 1.077 1.00 1.16 C ATOM 2541 C THR B 47 -40.698 11.104 -0.185 1.00 1.17 C ATOM 2542 O THR B 47 -41.615 11.930 -0.150 1.00 1.27 O ATOM 2543 CB THR B 47 -40.139 11.335 2.247 1.00 1.24 C ATOM 2544 OG1 THR B 47 -39.056 10.937 3.108 1.00 1.54 O ATOM 2545 CG2 THR B 47 -41.435 11.405 3.046 1.00 1.41 C ATOM 0 H THR B 47 -38.198 10.115 1.122 1.00 1.10 H new ATOM 0 HA THR B 47 -41.048 9.609 1.316 1.00 1.16 H new ATOM 0 HB THR B 47 -39.927 12.322 1.837 1.00 1.24 H new ATOM 0 HG1 THR B 47 -38.203 11.193 2.700 1.00 1.54 H new ATOM 0 HG21 THR B 47 -41.318 12.111 3.868 1.00 1.41 H new ATOM 0 HG22 THR B 47 -42.246 11.735 2.396 1.00 1.41 H new ATOM 0 HG23 THR B 47 -41.670 10.418 3.446 1.00 1.41 H new ATOM 2553 N ASP B 48 -40.027 10.825 -1.294 1.00 1.14 N ATOM 2554 CA ASP B 48 -40.328 11.475 -2.565 1.00 1.18 C ATOM 2555 C ASP B 48 -40.148 10.474 -3.698 1.00 1.14 C ATOM 2556 O ASP B 48 -39.090 9.863 -3.817 1.00 1.10 O ATOM 2557 CB ASP B 48 -39.409 12.685 -2.772 1.00 1.23 C ATOM 2558 CG ASP B 48 -39.769 13.517 -3.993 1.00 1.28 C ATOM 2559 OD1 ASP B 48 -39.667 13.006 -5.127 1.00 1.43 O ATOM 2560 OD2 ASP B 48 -40.136 14.699 -3.818 1.00 1.39 O ATOM 0 H ASP B 48 -39.265 10.148 -1.340 1.00 1.14 H new ATOM 0 HA ASP B 48 -41.360 11.826 -2.556 1.00 1.18 H new ATOM 0 HB2 ASP B 48 -39.450 13.318 -1.886 1.00 1.23 H new ATOM 0 HB3 ASP B 48 -38.380 12.338 -2.869 1.00 1.23 H new ATOM 2565 N PRO B 49 -41.173 10.292 -4.543 1.00 1.20 N ATOM 2566 CA PRO B 49 -41.116 9.336 -5.654 1.00 1.22 C ATOM 2567 C PRO B 49 -39.986 9.640 -6.636 1.00 1.24 C ATOM 2568 O PRO B 49 -39.343 8.732 -7.163 1.00 1.24 O ATOM 2569 CB PRO B 49 -42.485 9.477 -6.333 1.00 1.33 C ATOM 2570 CG PRO B 49 -43.033 10.779 -5.858 1.00 1.36 C ATOM 2571 CD PRO B 49 -42.465 10.998 -4.486 1.00 1.29 C ATOM 0 HA PRO B 49 -40.911 8.325 -5.302 1.00 1.22 H new ATOM 0 HB2 PRO B 49 -42.388 9.465 -7.419 1.00 1.33 H new ATOM 0 HB3 PRO B 49 -43.144 8.652 -6.063 1.00 1.33 H new ATOM 0 HG2 PRO B 49 -42.750 11.589 -6.530 1.00 1.36 H new ATOM 0 HG3 PRO B 49 -44.122 10.755 -5.829 1.00 1.36 H new ATOM 0 HD2 PRO B 49 -42.336 12.058 -4.268 1.00 1.29 H new ATOM 0 HD3 PRO B 49 -43.114 10.590 -3.711 1.00 1.29 H new ATOM 2579 N GLN B 50 -39.731 10.918 -6.863 1.00 1.28 N ATOM 2580 CA GLN B 50 -38.683 11.335 -7.786 1.00 1.33 C ATOM 2581 C GLN B 50 -37.314 11.191 -7.132 1.00 1.22 C ATOM 2582 O GLN B 50 -36.349 10.765 -7.770 1.00 1.22 O ATOM 2583 CB GLN B 50 -38.917 12.777 -8.234 1.00 1.45 C ATOM 2584 CG GLN B 50 -40.224 12.966 -8.988 1.00 1.58 C ATOM 2585 CD GLN B 50 -41.064 14.109 -8.448 1.00 1.65 C ATOM 2586 OE1 GLN B 50 -41.741 14.804 -9.205 1.00 1.81 O ATOM 2587 NE2 GLN B 50 -41.035 14.312 -7.143 1.00 1.66 N ATOM 0 H GLN B 50 -40.235 11.687 -6.421 1.00 1.28 H new ATOM 0 HA GLN B 50 -38.713 10.691 -8.665 1.00 1.33 H new ATOM 0 HB2 GLN B 50 -38.912 13.428 -7.359 1.00 1.45 H new ATOM 0 HB3 GLN B 50 -38.090 13.092 -8.870 1.00 1.45 H new ATOM 0 HG2 GLN B 50 -40.006 13.149 -10.040 1.00 1.58 H new ATOM 0 HG3 GLN B 50 -40.802 12.043 -8.938 1.00 1.58 H new ATOM 0 HE21 GLN B 50 -40.462 13.715 -6.547 1.00 1.66 H new ATOM 0 HE22 GLN B 50 -41.586 15.065 -6.732 1.00 1.66 H new ATOM 2596 N ALA B 51 -37.235 11.538 -5.855 1.00 1.15 N ATOM 2597 CA ALA B 51 -35.985 11.430 -5.118 1.00 1.08 C ATOM 2598 C ALA B 51 -35.596 9.965 -4.964 1.00 1.00 C ATOM 2599 O ALA B 51 -34.419 9.612 -5.034 1.00 0.98 O ATOM 2600 CB ALA B 51 -36.094 12.105 -3.761 1.00 1.09 C ATOM 0 H ALA B 51 -38.019 11.896 -5.310 1.00 1.15 H new ATOM 0 HA ALA B 51 -35.205 11.942 -5.681 1.00 1.08 H new ATOM 0 HB1 ALA B 51 -35.147 12.010 -3.230 1.00 1.09 H new ATOM 0 HB2 ALA B 51 -36.329 13.161 -3.898 1.00 1.09 H new ATOM 0 HB3 ALA B 51 -36.884 11.629 -3.180 1.00 1.09 H new ATOM 2606 N ALA B 52 -36.597 9.117 -4.764 1.00 0.99 N ATOM 2607 CA ALA B 52 -36.380 7.685 -4.627 1.00 0.98 C ATOM 2608 C ALA B 52 -35.838 7.114 -5.930 1.00 1.02 C ATOM 2609 O ALA B 52 -35.083 6.146 -5.932 1.00 1.03 O ATOM 2610 CB ALA B 52 -37.670 6.984 -4.231 1.00 1.03 C ATOM 0 H ALA B 52 -37.574 9.401 -4.693 1.00 0.99 H new ATOM 0 HA ALA B 52 -35.647 7.516 -3.839 1.00 0.98 H new ATOM 0 HB1 ALA B 52 -37.487 5.914 -4.133 1.00 1.03 H new ATOM 0 HB2 ALA B 52 -38.022 7.380 -3.279 1.00 1.03 H new ATOM 0 HB3 ALA B 52 -38.427 7.155 -4.997 1.00 1.03 H new ATOM 2616 N GLU B 53 -36.230 7.730 -7.037 1.00 1.09 N ATOM 2617 CA GLU B 53 -35.774 7.303 -8.350 1.00 1.18 C ATOM 2618 C GLU B 53 -34.316 7.701 -8.537 1.00 1.17 C ATOM 2619 O GLU B 53 -33.531 6.974 -9.147 1.00 1.23 O ATOM 2620 CB GLU B 53 -36.650 7.921 -9.442 1.00 1.28 C ATOM 2621 CG GLU B 53 -36.508 7.247 -10.796 1.00 1.45 C ATOM 2622 CD GLU B 53 -36.470 5.735 -10.691 1.00 1.51 C ATOM 2623 OE1 GLU B 53 -37.465 5.137 -10.229 1.00 1.66 O ATOM 2624 OE2 GLU B 53 -35.444 5.138 -11.082 1.00 1.58 O ATOM 0 H GLU B 53 -36.864 8.529 -7.050 1.00 1.09 H new ATOM 0 HA GLU B 53 -35.855 6.219 -8.425 1.00 1.18 H new ATOM 0 HB2 GLU B 53 -37.693 7.872 -9.129 1.00 1.28 H new ATOM 0 HB3 GLU B 53 -36.397 8.976 -9.544 1.00 1.28 H new ATOM 0 HG2 GLU B 53 -37.340 7.543 -11.435 1.00 1.45 H new ATOM 0 HG3 GLU B 53 -35.596 7.597 -11.279 1.00 1.45 H new ATOM 2631 N LYS B 54 -33.967 8.859 -7.992 1.00 1.13 N ATOM 2632 CA LYS B 54 -32.605 9.365 -8.058 1.00 1.14 C ATOM 2633 C LYS B 54 -31.677 8.438 -7.285 1.00 1.05 C ATOM 2634 O LYS B 54 -30.613 8.058 -7.771 1.00 1.09 O ATOM 2635 CB LYS B 54 -32.530 10.780 -7.473 1.00 1.16 C ATOM 2636 CG LYS B 54 -33.015 11.873 -8.413 1.00 1.32 C ATOM 2637 CD LYS B 54 -33.141 13.205 -7.689 1.00 1.48 C ATOM 2638 CE LYS B 54 -33.543 14.319 -8.641 1.00 1.68 C ATOM 2639 NZ LYS B 54 -34.163 15.465 -7.925 1.00 2.09 N ATOM 0 H LYS B 54 -34.616 9.469 -7.495 1.00 1.13 H new ATOM 0 HA LYS B 54 -32.294 9.403 -9.102 1.00 1.14 H new ATOM 0 HB2 LYS B 54 -33.122 10.814 -6.559 1.00 1.16 H new ATOM 0 HB3 LYS B 54 -31.498 10.990 -7.192 1.00 1.16 H new ATOM 0 HG2 LYS B 54 -32.320 11.974 -9.247 1.00 1.32 H new ATOM 0 HG3 LYS B 54 -33.980 11.592 -8.834 1.00 1.32 H new ATOM 0 HD2 LYS B 54 -33.881 13.120 -6.894 1.00 1.48 H new ATOM 0 HD3 LYS B 54 -32.192 13.454 -7.215 1.00 1.48 H new ATOM 0 HE2 LYS B 54 -32.665 14.664 -9.187 1.00 1.68 H new ATOM 0 HE3 LYS B 54 -34.244 13.930 -9.379 1.00 1.68 H new ATOM 0 HZ1 LYS B 54 -34.423 16.203 -8.610 1.00 2.09 H new ATOM 0 HZ2 LYS B 54 -35.015 15.142 -7.425 1.00 2.09 H new ATOM 0 HZ3 LYS B 54 -33.485 15.853 -7.238 1.00 2.09 H new ATOM 2653 N LEU B 55 -32.110 8.056 -6.085 1.00 0.98 N ATOM 2654 CA LEU B 55 -31.331 7.174 -5.222 1.00 0.95 C ATOM 2655 C LEU B 55 -31.295 5.753 -5.779 1.00 0.99 C ATOM 2656 O LEU B 55 -30.373 4.993 -5.500 1.00 0.99 O ATOM 2657 CB LEU B 55 -31.902 7.178 -3.800 1.00 0.94 C ATOM 2658 CG LEU B 55 -31.186 8.110 -2.818 1.00 1.02 C ATOM 2659 CD1 LEU B 55 -29.786 7.594 -2.521 1.00 1.13 C ATOM 2660 CD2 LEU B 55 -31.126 9.527 -3.371 1.00 1.09 C ATOM 0 H LEU B 55 -33.003 8.347 -5.687 1.00 0.98 H new ATOM 0 HA LEU B 55 -30.308 7.549 -5.189 1.00 0.95 H new ATOM 0 HB2 LEU B 55 -32.953 7.463 -3.847 1.00 0.94 H new ATOM 0 HB3 LEU B 55 -31.865 6.162 -3.407 1.00 0.94 H new ATOM 0 HG LEU B 55 -31.752 8.129 -1.887 1.00 1.02 H new ATOM 0 HD11 LEU B 55 -29.291 8.268 -1.822 1.00 1.13 H new ATOM 0 HD12 LEU B 55 -29.851 6.598 -2.082 1.00 1.13 H new ATOM 0 HD13 LEU B 55 -29.212 7.546 -3.446 1.00 1.13 H new ATOM 0 HD21 LEU B 55 -30.614 10.174 -2.659 1.00 1.09 H new ATOM 0 HD22 LEU B 55 -30.583 9.526 -4.316 1.00 1.09 H new ATOM 0 HD23 LEU B 55 -32.138 9.897 -3.534 1.00 1.09 H new ATOM 2672 N ASN B 56 -32.303 5.406 -6.567 1.00 1.06 N ATOM 2673 CA ASN B 56 -32.373 4.083 -7.191 1.00 1.16 C ATOM 2674 C ASN B 56 -31.195 3.903 -8.144 1.00 1.20 C ATOM 2675 O ASN B 56 -30.489 2.897 -8.114 1.00 1.26 O ATOM 2676 CB ASN B 56 -33.691 3.921 -7.960 1.00 1.26 C ATOM 2677 CG ASN B 56 -33.690 2.729 -8.900 1.00 1.44 C ATOM 2678 OD1 ASN B 56 -33.256 1.633 -8.547 1.00 1.49 O ATOM 2679 ND2 ASN B 56 -34.179 2.940 -10.110 1.00 1.58 N ATOM 0 H ASN B 56 -33.086 6.019 -6.792 1.00 1.06 H new ATOM 0 HA ASN B 56 -32.329 3.324 -6.410 1.00 1.16 H new ATOM 0 HB2 ASN B 56 -34.509 3.814 -7.248 1.00 1.26 H new ATOM 0 HB3 ASN B 56 -33.884 4.828 -8.533 1.00 1.26 H new ATOM 0 HD21 ASN B 56 -34.206 2.179 -10.789 1.00 1.58 H new ATOM 0 HD22 ASN B 56 -34.529 3.863 -10.365 1.00 1.58 H new ATOM 2686 N LYS B 57 -30.989 4.905 -8.982 1.00 1.21 N ATOM 2687 CA LYS B 57 -29.901 4.895 -9.945 1.00 1.29 C ATOM 2688 C LYS B 57 -28.566 5.134 -9.243 1.00 1.21 C ATOM 2689 O LYS B 57 -27.519 4.658 -9.683 1.00 1.26 O ATOM 2690 CB LYS B 57 -30.156 5.953 -11.020 1.00 1.39 C ATOM 2691 CG LYS B 57 -31.353 5.628 -11.903 1.00 1.52 C ATOM 2692 CD LYS B 57 -31.696 6.771 -12.842 1.00 1.62 C ATOM 2693 CE LYS B 57 -32.837 6.392 -13.772 1.00 1.73 C ATOM 2694 NZ LYS B 57 -34.165 6.482 -13.102 1.00 1.81 N ATOM 0 H LYS B 57 -31.568 5.744 -9.014 1.00 1.21 H new ATOM 0 HA LYS B 57 -29.854 3.917 -10.425 1.00 1.29 H new ATOM 0 HB2 LYS B 57 -30.317 6.919 -10.541 1.00 1.39 H new ATOM 0 HB3 LYS B 57 -29.267 6.051 -11.644 1.00 1.39 H new ATOM 0 HG2 LYS B 57 -31.141 4.732 -12.486 1.00 1.52 H new ATOM 0 HG3 LYS B 57 -32.216 5.403 -11.276 1.00 1.52 H new ATOM 0 HD2 LYS B 57 -31.973 7.652 -12.262 1.00 1.62 H new ATOM 0 HD3 LYS B 57 -30.818 7.039 -13.429 1.00 1.62 H new ATOM 0 HE2 LYS B 57 -32.826 7.048 -14.643 1.00 1.73 H new ATOM 0 HE3 LYS B 57 -32.684 5.376 -14.136 1.00 1.73 H new ATOM 0 HZ1 LYS B 57 -34.903 6.134 -13.747 1.00 1.81 H new ATOM 0 HZ2 LYS B 57 -34.158 5.903 -12.238 1.00 1.81 H new ATOM 0 HZ3 LYS B 57 -34.362 7.472 -12.853 1.00 1.81 H new ATOM 2708 N LEU B 58 -28.618 5.883 -8.152 1.00 1.12 N ATOM 2709 CA LEU B 58 -27.434 6.195 -7.360 1.00 1.09 C ATOM 2710 C LEU B 58 -26.815 4.922 -6.783 1.00 1.08 C ATOM 2711 O LEU B 58 -25.624 4.668 -6.960 1.00 1.11 O ATOM 2712 CB LEU B 58 -27.826 7.156 -6.236 1.00 1.06 C ATOM 2713 CG LEU B 58 -26.938 8.392 -6.066 1.00 1.21 C ATOM 2714 CD1 LEU B 58 -25.612 8.022 -5.422 1.00 1.37 C ATOM 2715 CD2 LEU B 58 -26.707 9.081 -7.401 1.00 1.40 C ATOM 0 H LEU B 58 -29.479 6.292 -7.790 1.00 1.12 H new ATOM 0 HA LEU B 58 -26.688 6.666 -8.000 1.00 1.09 H new ATOM 0 HB2 LEU B 58 -28.849 7.490 -6.411 1.00 1.06 H new ATOM 0 HB3 LEU B 58 -27.828 6.603 -5.297 1.00 1.06 H new ATOM 0 HG LEU B 58 -27.456 9.088 -5.407 1.00 1.21 H new ATOM 0 HD11 LEU B 58 -24.999 8.916 -5.312 1.00 1.37 H new ATOM 0 HD12 LEU B 58 -25.794 7.584 -4.441 1.00 1.37 H new ATOM 0 HD13 LEU B 58 -25.091 7.300 -6.051 1.00 1.37 H new ATOM 0 HD21 LEU B 58 -26.074 9.956 -7.254 1.00 1.40 H new ATOM 0 HD22 LEU B 58 -26.218 8.390 -8.087 1.00 1.40 H new ATOM 0 HD23 LEU B 58 -27.664 9.392 -7.820 1.00 1.40 H new ATOM 2727 N ILE B 59 -27.635 4.115 -6.112 1.00 1.08 N ATOM 2728 CA ILE B 59 -27.166 2.868 -5.514 1.00 1.15 C ATOM 2729 C ILE B 59 -26.674 1.911 -6.599 1.00 1.25 C ATOM 2730 O ILE B 59 -25.715 1.165 -6.394 1.00 1.32 O ATOM 2731 CB ILE B 59 -28.258 2.193 -4.642 1.00 1.20 C ATOM 2732 CG1 ILE B 59 -27.646 1.105 -3.754 1.00 1.33 C ATOM 2733 CG2 ILE B 59 -29.377 1.615 -5.498 1.00 1.22 C ATOM 2734 CD1 ILE B 59 -26.752 1.650 -2.658 1.00 1.37 C ATOM 0 H ILE B 59 -28.627 4.303 -5.969 1.00 1.08 H new ATOM 0 HA ILE B 59 -26.334 3.113 -4.854 1.00 1.15 H new ATOM 0 HB ILE B 59 -28.691 2.962 -4.002 1.00 1.20 H new ATOM 0 HG12 ILE B 59 -28.449 0.523 -3.301 1.00 1.33 H new ATOM 0 HG13 ILE B 59 -27.069 0.421 -4.376 1.00 1.33 H new ATOM 0 HG21 ILE B 59 -30.124 1.150 -4.855 1.00 1.22 H new ATOM 0 HG22 ILE B 59 -29.842 2.413 -6.076 1.00 1.22 H new ATOM 0 HG23 ILE B 59 -28.967 0.867 -6.177 1.00 1.22 H new ATOM 0 HD11 ILE B 59 -26.354 0.824 -2.069 1.00 1.37 H new ATOM 0 HD12 ILE B 59 -25.929 2.208 -3.104 1.00 1.37 H new ATOM 0 HD13 ILE B 59 -27.330 2.311 -2.012 1.00 1.37 H new ATOM 2746 N GLU B 60 -27.328 1.958 -7.759 1.00 1.29 N ATOM 2747 CA GLU B 60 -26.959 1.123 -8.890 1.00 1.44 C ATOM 2748 C GLU B 60 -25.533 1.441 -9.313 1.00 1.40 C ATOM 2749 O GLU B 60 -24.741 0.545 -9.608 1.00 1.51 O ATOM 2750 CB GLU B 60 -27.925 1.366 -10.053 1.00 1.54 C ATOM 2751 CG GLU B 60 -27.567 0.611 -11.322 1.00 1.75 C ATOM 2752 CD GLU B 60 -28.393 1.054 -12.512 1.00 1.96 C ATOM 2753 OE1 GLU B 60 -29.511 0.528 -12.697 1.00 2.28 O ATOM 2754 OE2 GLU B 60 -27.934 1.941 -13.263 1.00 2.17 O ATOM 0 H GLU B 60 -28.122 2.573 -7.936 1.00 1.29 H new ATOM 0 HA GLU B 60 -27.018 0.074 -8.601 1.00 1.44 H new ATOM 0 HB2 GLU B 60 -28.930 1.079 -9.743 1.00 1.54 H new ATOM 0 HB3 GLU B 60 -27.952 2.433 -10.273 1.00 1.54 H new ATOM 0 HG2 GLU B 60 -26.510 0.758 -11.543 1.00 1.75 H new ATOM 0 HG3 GLU B 60 -27.713 -0.457 -11.159 1.00 1.75 H new ATOM 2761 N GLY B 61 -25.212 2.728 -9.306 1.00 1.29 N ATOM 2762 CA GLY B 61 -23.887 3.172 -9.669 1.00 1.28 C ATOM 2763 C GLY B 61 -22.825 2.605 -8.746 1.00 1.21 C ATOM 2764 O GLY B 61 -21.745 2.220 -9.197 1.00 1.23 O ATOM 0 H GLY B 61 -25.856 3.477 -9.052 1.00 1.29 H new ATOM 0 HA2 GLY B 61 -23.673 2.873 -10.695 1.00 1.28 H new ATOM 0 HA3 GLY B 61 -23.849 4.261 -9.640 1.00 1.28 H new ATOM 2768 N TYR B 62 -23.143 2.544 -7.456 1.00 1.19 N ATOM 2769 CA TYR B 62 -22.220 2.009 -6.461 1.00 1.23 C ATOM 2770 C TYR B 62 -21.994 0.518 -6.682 1.00 1.35 C ATOM 2771 O TYR B 62 -20.874 0.022 -6.553 1.00 1.37 O ATOM 2772 CB TYR B 62 -22.748 2.242 -5.040 1.00 1.28 C ATOM 2773 CG TYR B 62 -22.703 3.684 -4.596 1.00 1.60 C ATOM 2774 CD1 TYR B 62 -21.588 4.477 -4.842 1.00 2.11 C ATOM 2775 CD2 TYR B 62 -23.772 4.246 -3.917 1.00 2.25 C ATOM 2776 CE1 TYR B 62 -21.543 5.791 -4.424 1.00 2.72 C ATOM 2777 CE2 TYR B 62 -23.737 5.559 -3.496 1.00 2.90 C ATOM 2778 CZ TYR B 62 -22.620 6.327 -3.752 1.00 2.96 C ATOM 2779 OH TYR B 62 -22.577 7.635 -3.338 1.00 3.75 O ATOM 0 H TYR B 62 -24.035 2.859 -7.075 1.00 1.19 H new ATOM 0 HA TYR B 62 -21.272 2.535 -6.575 1.00 1.23 H new ATOM 0 HB2 TYR B 62 -23.777 1.887 -4.983 1.00 1.28 H new ATOM 0 HB3 TYR B 62 -22.164 1.640 -4.344 1.00 1.28 H new ATOM 0 HD1 TYR B 62 -20.744 4.058 -5.369 1.00 2.11 H new ATOM 0 HD2 TYR B 62 -24.647 3.646 -3.714 1.00 2.25 H new ATOM 0 HE1 TYR B 62 -20.670 6.395 -4.622 1.00 2.72 H new ATOM 0 HE2 TYR B 62 -24.579 5.983 -2.969 1.00 2.90 H new ATOM 0 HH TYR B 62 -23.414 7.861 -2.880 1.00 3.75 H new ATOM 2789 N THR B 63 -23.060 -0.196 -7.025 1.00 1.51 N ATOM 2790 CA THR B 63 -22.968 -1.630 -7.261 1.00 1.71 C ATOM 2791 C THR B 63 -22.169 -1.924 -8.534 1.00 1.67 C ATOM 2792 O THR B 63 -21.388 -2.878 -8.591 1.00 1.80 O ATOM 2793 CB THR B 63 -24.366 -2.268 -7.370 1.00 1.94 C ATOM 2794 OG1 THR B 63 -25.276 -1.624 -6.461 1.00 2.00 O ATOM 2795 CG2 THR B 63 -24.302 -3.754 -7.060 1.00 2.31 C ATOM 0 H THR B 63 -23.995 0.194 -7.145 1.00 1.51 H new ATOM 0 HA THR B 63 -22.450 -2.067 -6.407 1.00 1.71 H new ATOM 0 HB THR B 63 -24.723 -2.137 -8.391 1.00 1.94 H new ATOM 0 HG1 THR B 63 -26.162 -2.035 -6.539 1.00 2.00 H new ATOM 0 HG21 THR B 63 -25.299 -4.186 -7.142 1.00 2.31 H new ATOM 0 HG22 THR B 63 -23.634 -4.245 -7.768 1.00 2.31 H new ATOM 0 HG23 THR B 63 -23.927 -3.899 -6.047 1.00 2.31 H new ATOM 2803 N TYR B 64 -22.356 -1.078 -9.540 1.00 1.57 N ATOM 2804 CA TYR B 64 -21.665 -1.212 -10.816 1.00 1.63 C ATOM 2805 C TYR B 64 -20.373 -0.417 -10.792 1.00 1.37 C ATOM 2806 O TYR B 64 -19.949 0.145 -11.808 1.00 1.46 O ATOM 2807 CB TYR B 64 -22.554 -0.706 -11.951 1.00 1.90 C ATOM 2808 CG TYR B 64 -22.977 -1.787 -12.918 1.00 2.42 C ATOM 2809 CD1 TYR B 64 -22.201 -2.094 -14.029 1.00 3.10 C ATOM 2810 CD2 TYR B 64 -24.154 -2.496 -12.719 1.00 2.81 C ATOM 2811 CE1 TYR B 64 -22.588 -3.079 -14.918 1.00 3.76 C ATOM 2812 CE2 TYR B 64 -24.547 -3.481 -13.602 1.00 3.50 C ATOM 2813 CZ TYR B 64 -23.759 -3.767 -14.701 1.00 3.84 C ATOM 2814 OH TYR B 64 -24.147 -4.745 -15.582 1.00 4.62 O ATOM 0 H TYR B 64 -22.990 -0.281 -9.494 1.00 1.57 H new ATOM 0 HA TYR B 64 -21.438 -2.265 -10.981 1.00 1.63 H new ATOM 0 HB2 TYR B 64 -23.444 -0.243 -11.525 1.00 1.90 H new ATOM 0 HB3 TYR B 64 -22.022 0.072 -12.499 1.00 1.90 H new ATOM 0 HD1 TYR B 64 -21.281 -1.555 -14.201 1.00 3.10 H new ATOM 0 HD2 TYR B 64 -24.771 -2.273 -11.861 1.00 2.81 H new ATOM 0 HE1 TYR B 64 -21.975 -3.307 -15.777 1.00 3.76 H new ATOM 0 HE2 TYR B 64 -25.465 -4.025 -13.435 1.00 3.50 H new ATOM 0 HH TYR B 64 -24.995 -5.135 -15.285 1.00 4.62 H new ATOM 2824 N GLY B 65 -19.774 -0.339 -9.615 1.00 1.20 N ATOM 2825 CA GLY B 65 -18.546 0.399 -9.461 1.00 1.11 C ATOM 2826 C GLY B 65 -17.352 -0.312 -10.054 1.00 1.04 C ATOM 2827 O GLY B 65 -16.689 -1.104 -9.379 1.00 1.03 O ATOM 0 H GLY B 65 -20.121 -0.777 -8.762 1.00 1.20 H new ATOM 0 HA2 GLY B 65 -18.653 1.375 -9.935 1.00 1.11 H new ATOM 0 HA3 GLY B 65 -18.366 0.577 -8.401 1.00 1.11 H new ATOM 2831 N GLU B 66 -17.080 -0.037 -11.320 1.00 1.04 N ATOM 2832 CA GLU B 66 -15.942 -0.630 -12.000 1.00 1.02 C ATOM 2833 C GLU B 66 -14.668 -0.059 -11.413 1.00 0.98 C ATOM 2834 O GLU B 66 -13.643 -0.739 -11.306 1.00 0.95 O ATOM 2835 CB GLU B 66 -16.006 -0.345 -13.500 1.00 1.10 C ATOM 2836 CG GLU B 66 -16.535 -1.510 -14.316 1.00 1.36 C ATOM 2837 CD GLU B 66 -15.622 -2.715 -14.260 1.00 1.66 C ATOM 2838 OE1 GLU B 66 -14.525 -2.666 -14.856 1.00 2.08 O ATOM 2839 OE2 GLU B 66 -15.993 -3.722 -13.625 1.00 2.08 O ATOM 0 H GLU B 66 -17.634 0.595 -11.898 1.00 1.04 H new ATOM 0 HA GLU B 66 -15.959 -1.711 -11.860 1.00 1.02 H new ATOM 0 HB2 GLU B 66 -16.641 0.525 -13.670 1.00 1.10 H new ATOM 0 HB3 GLU B 66 -15.009 -0.086 -13.855 1.00 1.10 H new ATOM 0 HG2 GLU B 66 -17.523 -1.789 -13.949 1.00 1.36 H new ATOM 0 HG3 GLU B 66 -16.657 -1.198 -15.353 1.00 1.36 H new ATOM 2846 N GLU B 67 -14.763 1.194 -11.000 1.00 1.00 N ATOM 2847 CA GLU B 67 -13.650 1.902 -10.396 1.00 1.01 C ATOM 2848 C GLU B 67 -13.350 1.298 -9.030 1.00 0.97 C ATOM 2849 O GLU B 67 -12.204 1.245 -8.595 1.00 0.95 O ATOM 2850 CB GLU B 67 -13.979 3.392 -10.248 1.00 1.10 C ATOM 2851 CG GLU B 67 -14.774 3.967 -11.410 1.00 1.53 C ATOM 2852 CD GLU B 67 -16.275 3.893 -11.200 1.00 1.81 C ATOM 2853 OE1 GLU B 67 -16.757 2.928 -10.569 1.00 2.28 O ATOM 2854 OE2 GLU B 67 -16.983 4.812 -11.652 1.00 2.44 O ATOM 0 H GLU B 67 -15.616 1.748 -11.075 1.00 1.00 H new ATOM 0 HA GLU B 67 -12.775 1.805 -11.039 1.00 1.01 H new ATOM 0 HB2 GLU B 67 -14.543 3.540 -9.327 1.00 1.10 H new ATOM 0 HB3 GLU B 67 -13.049 3.951 -10.145 1.00 1.10 H new ATOM 0 HG2 GLU B 67 -14.485 5.007 -11.560 1.00 1.53 H new ATOM 0 HG3 GLU B 67 -14.514 3.429 -12.322 1.00 1.53 H new ATOM 2861 N ARG B 68 -14.405 0.821 -8.374 1.00 0.98 N ATOM 2862 CA ARG B 68 -14.284 0.199 -7.062 1.00 0.99 C ATOM 2863 C ARG B 68 -13.430 -1.062 -7.182 1.00 0.95 C ATOM 2864 O ARG B 68 -12.632 -1.385 -6.296 1.00 0.95 O ATOM 2865 CB ARG B 68 -15.675 -0.137 -6.514 1.00 1.04 C ATOM 2866 CG ARG B 68 -15.745 -0.221 -5.000 1.00 1.10 C ATOM 2867 CD ARG B 68 -15.353 -1.600 -4.500 1.00 1.41 C ATOM 2868 NE ARG B 68 -15.446 -1.696 -3.048 1.00 1.59 N ATOM 2869 CZ ARG B 68 -14.403 -1.875 -2.238 1.00 1.88 C ATOM 2870 NH1 ARG B 68 -13.179 -2.028 -2.731 1.00 2.30 N ATOM 2871 NH2 ARG B 68 -14.587 -1.928 -0.928 1.00 2.17 N ATOM 0 H ARG B 68 -15.359 0.855 -8.734 1.00 0.98 H new ATOM 0 HA ARG B 68 -13.802 0.888 -6.369 1.00 0.99 H new ATOM 0 HB2 ARG B 68 -16.381 0.619 -6.857 1.00 1.04 H new ATOM 0 HB3 ARG B 68 -15.998 -1.089 -6.935 1.00 1.04 H new ATOM 0 HG2 ARG B 68 -15.084 0.527 -4.562 1.00 1.10 H new ATOM 0 HG3 ARG B 68 -16.756 0.014 -4.668 1.00 1.10 H new ATOM 0 HD2 ARG B 68 -16.000 -2.349 -4.956 1.00 1.41 H new ATOM 0 HD3 ARG B 68 -14.334 -1.825 -4.815 1.00 1.41 H new ATOM 0 HE ARG B 68 -16.371 -1.621 -2.624 1.00 1.59 H new ATOM 0 HH11 ARG B 68 -13.029 -2.009 -3.740 1.00 2.30 H new ATOM 0 HH12 ARG B 68 -12.389 -2.164 -2.101 1.00 2.30 H new ATOM 0 HH21 ARG B 68 -15.526 -1.832 -0.541 1.00 2.17 H new ATOM 0 HH22 ARG B 68 -13.790 -2.065 -0.306 1.00 2.17 H new ATOM 2885 N LYS B 69 -13.602 -1.759 -8.300 1.00 0.94 N ATOM 2886 CA LYS B 69 -12.847 -2.969 -8.578 1.00 0.94 C ATOM 2887 C LYS B 69 -11.382 -2.608 -8.793 1.00 0.89 C ATOM 2888 O LYS B 69 -10.483 -3.319 -8.344 1.00 0.88 O ATOM 2889 CB LYS B 69 -13.416 -3.679 -9.814 1.00 1.00 C ATOM 2890 CG LYS B 69 -12.794 -5.034 -10.091 1.00 1.28 C ATOM 2891 CD LYS B 69 -13.428 -5.694 -11.303 1.00 1.46 C ATOM 2892 CE LYS B 69 -12.941 -5.075 -12.601 1.00 1.55 C ATOM 2893 NZ LYS B 69 -13.871 -5.342 -13.729 1.00 1.70 N ATOM 0 H LYS B 69 -14.264 -1.501 -9.032 1.00 0.94 H new ATOM 0 HA LYS B 69 -12.927 -3.650 -7.731 1.00 0.94 H new ATOM 0 HB2 LYS B 69 -14.491 -3.804 -9.685 1.00 1.00 H new ATOM 0 HB3 LYS B 69 -13.272 -3.040 -10.685 1.00 1.00 H new ATOM 0 HG2 LYS B 69 -11.723 -4.918 -10.256 1.00 1.28 H new ATOM 0 HG3 LYS B 69 -12.915 -5.677 -9.219 1.00 1.28 H new ATOM 0 HD2 LYS B 69 -13.197 -6.759 -11.299 1.00 1.46 H new ATOM 0 HD3 LYS B 69 -14.512 -5.603 -11.241 1.00 1.46 H new ATOM 0 HE2 LYS B 69 -12.830 -3.999 -12.470 1.00 1.55 H new ATOM 0 HE3 LYS B 69 -11.954 -5.470 -12.843 1.00 1.55 H new ATOM 0 HZ1 LYS B 69 -13.492 -4.917 -14.599 1.00 1.70 H new ATOM 0 HZ2 LYS B 69 -13.971 -6.369 -13.861 1.00 1.70 H new ATOM 0 HZ3 LYS B 69 -14.801 -4.928 -13.517 1.00 1.70 H new ATOM 2907 N LEU B 70 -11.158 -1.478 -9.460 1.00 0.89 N ATOM 2908 CA LEU B 70 -9.809 -0.993 -9.731 1.00 0.87 C ATOM 2909 C LEU B 70 -9.061 -0.727 -8.425 1.00 0.83 C ATOM 2910 O LEU B 70 -7.869 -1.014 -8.316 1.00 0.82 O ATOM 2911 CB LEU B 70 -9.868 0.288 -10.570 1.00 0.91 C ATOM 2912 CG LEU B 70 -8.551 1.062 -10.675 1.00 0.96 C ATOM 2913 CD1 LEU B 70 -7.639 0.436 -11.721 1.00 1.04 C ATOM 2914 CD2 LEU B 70 -8.813 2.525 -10.998 1.00 1.04 C ATOM 0 H LEU B 70 -11.899 -0.879 -9.824 1.00 0.89 H new ATOM 0 HA LEU B 70 -9.272 -1.760 -10.289 1.00 0.87 H new ATOM 0 HB2 LEU B 70 -10.200 0.029 -11.576 1.00 0.91 H new ATOM 0 HB3 LEU B 70 -10.625 0.947 -10.145 1.00 0.91 H new ATOM 0 HG LEU B 70 -8.048 1.009 -9.710 1.00 0.96 H new ATOM 0 HD11 LEU B 70 -6.709 1.002 -11.779 1.00 1.04 H new ATOM 0 HD12 LEU B 70 -7.420 -0.595 -11.442 1.00 1.04 H new ATOM 0 HD13 LEU B 70 -8.134 0.452 -12.692 1.00 1.04 H new ATOM 0 HD21 LEU B 70 -7.865 3.058 -11.068 1.00 1.04 H new ATOM 0 HD22 LEU B 70 -9.342 2.599 -11.948 1.00 1.04 H new ATOM 0 HD23 LEU B 70 -9.421 2.969 -10.209 1.00 1.04 H new ATOM 2926 N TYR B 71 -9.769 -0.185 -7.437 1.00 0.84 N ATOM 2927 CA TYR B 71 -9.168 0.110 -6.140 1.00 0.84 C ATOM 2928 C TYR B 71 -8.679 -1.171 -5.476 1.00 0.83 C ATOM 2929 O TYR B 71 -7.587 -1.210 -4.904 1.00 0.82 O ATOM 2930 CB TYR B 71 -10.166 0.816 -5.210 1.00 0.91 C ATOM 2931 CG TYR B 71 -10.832 2.039 -5.807 1.00 0.92 C ATOM 2932 CD1 TYR B 71 -10.172 2.841 -6.731 1.00 0.93 C ATOM 2933 CD2 TYR B 71 -12.127 2.392 -5.442 1.00 1.01 C ATOM 2934 CE1 TYR B 71 -10.778 3.959 -7.268 1.00 1.00 C ATOM 2935 CE2 TYR B 71 -12.740 3.510 -5.975 1.00 1.09 C ATOM 2936 CZ TYR B 71 -12.065 4.287 -6.891 1.00 1.07 C ATOM 2937 OH TYR B 71 -12.675 5.400 -7.425 1.00 1.19 O ATOM 0 H TYR B 71 -10.757 0.058 -7.510 1.00 0.84 H new ATOM 0 HA TYR B 71 -8.323 0.776 -6.314 1.00 0.84 H new ATOM 0 HB2 TYR B 71 -10.938 0.104 -4.920 1.00 0.91 H new ATOM 0 HB3 TYR B 71 -9.646 1.111 -4.298 1.00 0.91 H new ATOM 0 HD1 TYR B 71 -9.168 2.585 -7.034 1.00 0.93 H new ATOM 0 HD2 TYR B 71 -12.663 1.782 -4.730 1.00 1.01 H new ATOM 0 HE1 TYR B 71 -10.248 4.574 -7.980 1.00 1.00 H new ATOM 0 HE2 TYR B 71 -13.743 3.773 -5.675 1.00 1.09 H new ATOM 0 HH TYR B 71 -13.578 5.487 -7.055 1.00 1.19 H new ATOM 2947 N ASP B 72 -9.488 -2.221 -5.566 1.00 0.86 N ATOM 2948 CA ASP B 72 -9.132 -3.505 -4.974 1.00 0.88 C ATOM 2949 C ASP B 72 -7.930 -4.107 -5.692 1.00 0.85 C ATOM 2950 O ASP B 72 -7.006 -4.610 -5.056 1.00 0.85 O ATOM 2951 CB ASP B 72 -10.309 -4.483 -5.021 1.00 0.95 C ATOM 2952 CG ASP B 72 -9.950 -5.836 -4.432 1.00 1.07 C ATOM 2953 OD1 ASP B 72 -9.830 -5.937 -3.190 1.00 1.31 O ATOM 2954 OD2 ASP B 72 -9.786 -6.803 -5.205 1.00 1.32 O ATOM 0 H ASP B 72 -10.391 -2.209 -6.041 1.00 0.86 H new ATOM 0 HA ASP B 72 -8.874 -3.329 -3.930 1.00 0.88 H new ATOM 0 HB2 ASP B 72 -11.152 -4.062 -4.474 1.00 0.95 H new ATOM 0 HB3 ASP B 72 -10.632 -4.612 -6.054 1.00 0.95 H new ATOM 2959 N SER B 73 -7.938 -4.030 -7.021 1.00 0.84 N ATOM 2960 CA SER B 73 -6.847 -4.565 -7.831 1.00 0.83 C ATOM 2961 C SER B 73 -5.524 -3.873 -7.499 1.00 0.79 C ATOM 2962 O SER B 73 -4.453 -4.488 -7.547 1.00 0.78 O ATOM 2963 CB SER B 73 -7.171 -4.404 -9.318 1.00 0.86 C ATOM 2964 OG SER B 73 -8.424 -4.994 -9.633 1.00 0.91 O ATOM 0 H SER B 73 -8.690 -3.601 -7.560 1.00 0.84 H new ATOM 0 HA SER B 73 -6.739 -5.625 -7.602 1.00 0.83 H new ATOM 0 HB2 SER B 73 -7.188 -3.345 -9.578 1.00 0.86 H new ATOM 0 HB3 SER B 73 -6.386 -4.866 -9.917 1.00 0.86 H new ATOM 0 HG SER B 73 -9.146 -4.445 -9.263 1.00 0.91 H new ATOM 2970 N ALA B 74 -5.609 -2.593 -7.159 1.00 0.79 N ATOM 2971 CA ALA B 74 -4.433 -1.815 -6.808 1.00 0.78 C ATOM 2972 C ALA B 74 -3.901 -2.242 -5.446 1.00 0.74 C ATOM 2973 O ALA B 74 -2.695 -2.211 -5.205 1.00 0.72 O ATOM 2974 CB ALA B 74 -4.759 -0.327 -6.818 1.00 0.81 C ATOM 0 H ALA B 74 -6.485 -2.072 -7.120 1.00 0.79 H new ATOM 0 HA ALA B 74 -3.657 -2.000 -7.551 1.00 0.78 H new ATOM 0 HB1 ALA B 74 -3.868 0.242 -6.553 1.00 0.81 H new ATOM 0 HB2 ALA B 74 -5.094 -0.035 -7.813 1.00 0.81 H new ATOM 0 HB3 ALA B 74 -5.549 -0.123 -6.095 1.00 0.81 H new ATOM 2980 N LEU B 75 -4.810 -2.659 -4.570 1.00 0.76 N ATOM 2981 CA LEU B 75 -4.439 -3.107 -3.234 1.00 0.76 C ATOM 2982 C LEU B 75 -3.642 -4.405 -3.314 1.00 0.73 C ATOM 2983 O LEU B 75 -2.715 -4.627 -2.531 1.00 0.71 O ATOM 2984 CB LEU B 75 -5.686 -3.301 -2.367 1.00 0.81 C ATOM 2985 CG LEU B 75 -5.701 -2.510 -1.054 1.00 0.89 C ATOM 2986 CD1 LEU B 75 -4.583 -2.972 -0.129 1.00 1.13 C ATOM 2987 CD2 LEU B 75 -5.587 -1.014 -1.322 1.00 1.14 C ATOM 0 H LEU B 75 -5.811 -2.696 -4.763 1.00 0.76 H new ATOM 0 HA LEU B 75 -3.815 -2.341 -2.774 1.00 0.76 H new ATOM 0 HB2 LEU B 75 -6.562 -3.020 -2.951 1.00 0.81 H new ATOM 0 HB3 LEU B 75 -5.785 -4.361 -2.134 1.00 0.81 H new ATOM 0 HG LEU B 75 -6.654 -2.699 -0.559 1.00 0.89 H new ATOM 0 HD11 LEU B 75 -4.614 -2.396 0.796 1.00 1.13 H new ATOM 0 HD12 LEU B 75 -4.713 -4.030 0.098 1.00 1.13 H new ATOM 0 HD13 LEU B 75 -3.621 -2.821 -0.618 1.00 1.13 H new ATOM 0 HD21 LEU B 75 -5.600 -0.473 -0.376 1.00 1.14 H new ATOM 0 HD22 LEU B 75 -4.653 -0.808 -1.845 1.00 1.14 H new ATOM 0 HD23 LEU B 75 -6.426 -0.690 -1.937 1.00 1.14 H new ATOM 2999 N SER B 76 -4.005 -5.257 -4.267 1.00 0.75 N ATOM 3000 CA SER B 76 -3.312 -6.520 -4.470 1.00 0.75 C ATOM 3001 C SER B 76 -1.852 -6.253 -4.834 1.00 0.72 C ATOM 3002 O SER B 76 -0.945 -6.963 -4.397 1.00 0.72 O ATOM 3003 CB SER B 76 -4.002 -7.319 -5.576 1.00 0.81 C ATOM 3004 OG SER B 76 -5.382 -7.001 -5.642 1.00 0.91 O ATOM 0 H SER B 76 -4.778 -5.093 -4.912 1.00 0.75 H new ATOM 0 HA SER B 76 -3.343 -7.103 -3.549 1.00 0.75 H new ATOM 0 HB2 SER B 76 -3.529 -7.105 -6.534 1.00 0.81 H new ATOM 0 HB3 SER B 76 -3.879 -8.386 -5.391 1.00 0.81 H new ATOM 0 HG SER B 76 -5.804 -7.522 -6.357 1.00 0.91 H new ATOM 3010 N LYS B 77 -1.636 -5.200 -5.621 1.00 0.72 N ATOM 3011 CA LYS B 77 -0.297 -4.808 -6.035 1.00 0.71 C ATOM 3012 C LYS B 77 0.494 -4.318 -4.828 1.00 0.67 C ATOM 3013 O LYS B 77 1.714 -4.473 -4.763 1.00 0.66 O ATOM 3014 CB LYS B 77 -0.359 -3.727 -7.118 1.00 0.75 C ATOM 3015 CG LYS B 77 -1.182 -4.131 -8.332 1.00 0.93 C ATOM 3016 CD LYS B 77 -1.020 -3.150 -9.482 1.00 1.09 C ATOM 3017 CE LYS B 77 0.180 -3.494 -10.350 1.00 1.34 C ATOM 3018 NZ LYS B 77 0.251 -2.645 -11.570 1.00 1.68 N ATOM 0 H LYS B 77 -2.378 -4.602 -5.984 1.00 0.72 H new ATOM 0 HA LYS B 77 0.209 -5.676 -6.458 1.00 0.71 H new ATOM 0 HB2 LYS B 77 -0.781 -2.818 -6.689 1.00 0.75 H new ATOM 0 HB3 LYS B 77 0.655 -3.487 -7.439 1.00 0.75 H new ATOM 0 HG2 LYS B 77 -0.881 -5.126 -8.659 1.00 0.93 H new ATOM 0 HG3 LYS B 77 -2.234 -4.192 -8.053 1.00 0.93 H new ATOM 0 HD2 LYS B 77 -1.923 -3.152 -10.092 1.00 1.09 H new ATOM 0 HD3 LYS B 77 -0.905 -2.141 -9.086 1.00 1.09 H new ATOM 0 HE2 LYS B 77 1.094 -3.370 -9.769 1.00 1.34 H new ATOM 0 HE3 LYS B 77 0.127 -4.543 -10.642 1.00 1.34 H new ATOM 0 HZ1 LYS B 77 1.084 -2.914 -12.132 1.00 1.68 H new ATOM 0 HZ2 LYS B 77 -0.609 -2.782 -12.138 1.00 1.68 H new ATOM 0 HZ3 LYS B 77 0.328 -1.645 -11.293 1.00 1.68 H new ATOM 3032 N ILE B 78 -0.213 -3.713 -3.881 1.00 0.66 N ATOM 3033 CA ILE B 78 0.403 -3.220 -2.658 1.00 0.64 C ATOM 3034 C ILE B 78 0.977 -4.391 -1.870 1.00 0.63 C ATOM 3035 O ILE B 78 2.108 -4.329 -1.380 1.00 0.64 O ATOM 3036 CB ILE B 78 -0.617 -2.450 -1.784 1.00 0.67 C ATOM 3037 CG1 ILE B 78 -0.931 -1.082 -2.405 1.00 0.90 C ATOM 3038 CG2 ILE B 78 -0.107 -2.285 -0.355 1.00 0.79 C ATOM 3039 CD1 ILE B 78 0.142 -0.030 -2.170 1.00 1.15 C ATOM 0 H ILE B 78 -1.219 -3.552 -3.939 1.00 0.66 H new ATOM 0 HA ILE B 78 1.201 -2.530 -2.931 1.00 0.64 H new ATOM 0 HB ILE B 78 -1.536 -3.035 -1.746 1.00 0.67 H new ATOM 0 HG12 ILE B 78 -1.073 -1.207 -3.479 1.00 0.90 H new ATOM 0 HG13 ILE B 78 -1.875 -0.719 -1.999 1.00 0.90 H new ATOM 0 HG21 ILE B 78 -0.845 -1.741 0.234 1.00 0.79 H new ATOM 0 HG22 ILE B 78 0.058 -3.267 0.088 1.00 0.79 H new ATOM 0 HG23 ILE B 78 0.831 -1.729 -0.365 1.00 0.79 H new ATOM 0 HD11 ILE B 78 -0.157 0.906 -2.641 1.00 1.15 H new ATOM 0 HD12 ILE B 78 0.269 0.127 -1.099 1.00 1.15 H new ATOM 0 HD13 ILE B 78 1.084 -0.368 -2.602 1.00 1.15 H new ATOM 3051 N GLU B 79 0.202 -5.470 -1.779 1.00 0.65 N ATOM 3052 CA GLU B 79 0.633 -6.658 -1.055 1.00 0.67 C ATOM 3053 C GLU B 79 1.888 -7.253 -1.691 1.00 0.67 C ATOM 3054 O GLU B 79 2.787 -7.719 -0.994 1.00 0.70 O ATOM 3055 CB GLU B 79 -0.486 -7.700 -1.020 1.00 0.71 C ATOM 3056 CG GLU B 79 -0.244 -8.814 -0.014 1.00 0.77 C ATOM 3057 CD GLU B 79 -0.821 -10.139 -0.459 1.00 1.10 C ATOM 3058 OE1 GLU B 79 -1.902 -10.145 -1.082 1.00 1.59 O ATOM 3059 OE2 GLU B 79 -0.196 -11.186 -0.182 1.00 1.74 O ATOM 0 H GLU B 79 -0.725 -5.543 -2.198 1.00 0.65 H new ATOM 0 HA GLU B 79 0.870 -6.365 -0.032 1.00 0.67 H new ATOM 0 HB2 GLU B 79 -1.427 -7.204 -0.782 1.00 0.71 H new ATOM 0 HB3 GLU B 79 -0.598 -8.135 -2.013 1.00 0.71 H new ATOM 0 HG2 GLU B 79 0.828 -8.925 0.147 1.00 0.77 H new ATOM 0 HG3 GLU B 79 -0.683 -8.535 0.944 1.00 0.77 H new ATOM 3066 N LYS B 80 1.943 -7.223 -3.018 1.00 0.67 N ATOM 3067 CA LYS B 80 3.087 -7.753 -3.751 1.00 0.69 C ATOM 3068 C LYS B 80 4.351 -6.973 -3.409 1.00 0.68 C ATOM 3069 O LYS B 80 5.436 -7.546 -3.302 1.00 0.72 O ATOM 3070 CB LYS B 80 2.831 -7.698 -5.258 1.00 0.72 C ATOM 3071 CG LYS B 80 1.565 -8.423 -5.685 1.00 0.79 C ATOM 3072 CD LYS B 80 1.469 -8.581 -7.194 1.00 1.18 C ATOM 3073 CE LYS B 80 2.410 -9.657 -7.705 1.00 1.78 C ATOM 3074 NZ LYS B 80 2.101 -10.993 -7.126 1.00 2.05 N ATOM 0 H LYS B 80 1.207 -6.836 -3.609 1.00 0.67 H new ATOM 0 HA LYS B 80 3.227 -8.793 -3.456 1.00 0.69 H new ATOM 0 HB2 LYS B 80 2.766 -6.656 -5.570 1.00 0.72 H new ATOM 0 HB3 LYS B 80 3.683 -8.134 -5.779 1.00 0.72 H new ATOM 0 HG2 LYS B 80 1.538 -9.407 -5.217 1.00 0.79 H new ATOM 0 HG3 LYS B 80 0.696 -7.874 -5.324 1.00 0.79 H new ATOM 0 HD2 LYS B 80 0.445 -8.832 -7.470 1.00 1.18 H new ATOM 0 HD3 LYS B 80 1.705 -7.632 -7.675 1.00 1.18 H new ATOM 0 HE2 LYS B 80 2.344 -9.709 -8.792 1.00 1.78 H new ATOM 0 HE3 LYS B 80 3.437 -9.385 -7.461 1.00 1.78 H new ATOM 0 HZ1 LYS B 80 2.485 -11.736 -7.744 1.00 2.05 H new ATOM 0 HZ2 LYS B 80 2.532 -11.070 -6.183 1.00 2.05 H new ATOM 0 HZ3 LYS B 80 1.070 -11.107 -7.046 1.00 2.05 H new ATOM 3088 N LEU B 81 4.197 -5.666 -3.228 1.00 0.65 N ATOM 3089 CA LEU B 81 5.315 -4.800 -2.882 1.00 0.67 C ATOM 3090 C LEU B 81 5.835 -5.170 -1.498 1.00 0.68 C ATOM 3091 O LEU B 81 7.044 -5.214 -1.260 1.00 0.72 O ATOM 3092 CB LEU B 81 4.877 -3.328 -2.922 1.00 0.67 C ATOM 3093 CG LEU B 81 5.962 -2.310 -3.304 1.00 0.78 C ATOM 3094 CD1 LEU B 81 6.872 -2.018 -2.123 1.00 1.02 C ATOM 3095 CD2 LEU B 81 6.768 -2.794 -4.507 1.00 0.97 C ATOM 0 H LEU B 81 3.303 -5.182 -3.316 1.00 0.65 H new ATOM 0 HA LEU B 81 6.117 -4.936 -3.608 1.00 0.67 H new ATOM 0 HB2 LEU B 81 4.054 -3.234 -3.630 1.00 0.67 H new ATOM 0 HB3 LEU B 81 4.485 -3.060 -1.941 1.00 0.67 H new ATOM 0 HG LEU B 81 5.466 -1.381 -3.585 1.00 0.78 H new ATOM 0 HD11 LEU B 81 7.632 -1.295 -2.419 1.00 1.02 H new ATOM 0 HD12 LEU B 81 6.283 -1.610 -1.302 1.00 1.02 H new ATOM 0 HD13 LEU B 81 7.355 -2.940 -1.800 1.00 1.02 H new ATOM 0 HD21 LEU B 81 7.529 -2.055 -4.756 1.00 0.97 H new ATOM 0 HD22 LEU B 81 7.248 -3.742 -4.265 1.00 0.97 H new ATOM 0 HD23 LEU B 81 6.103 -2.931 -5.359 1.00 0.97 H new ATOM 3107 N ILE B 82 4.906 -5.469 -0.596 1.00 0.68 N ATOM 3108 CA ILE B 82 5.254 -5.862 0.763 1.00 0.72 C ATOM 3109 C ILE B 82 5.985 -7.205 0.738 1.00 0.77 C ATOM 3110 O ILE B 82 6.948 -7.419 1.474 1.00 0.81 O ATOM 3111 CB ILE B 82 3.997 -5.950 1.666 1.00 0.72 C ATOM 3112 CG1 ILE B 82 3.256 -4.602 1.671 1.00 0.70 C ATOM 3113 CG2 ILE B 82 4.380 -6.360 3.081 1.00 0.78 C ATOM 3114 CD1 ILE B 82 2.097 -4.525 2.648 1.00 0.72 C ATOM 0 H ILE B 82 3.904 -5.446 -0.783 1.00 0.68 H new ATOM 0 HA ILE B 82 5.909 -5.099 1.183 1.00 0.72 H new ATOM 0 HB ILE B 82 3.330 -6.712 1.264 1.00 0.72 H new ATOM 0 HG12 ILE B 82 3.968 -3.811 1.908 1.00 0.70 H new ATOM 0 HG13 ILE B 82 2.882 -4.404 0.667 1.00 0.70 H new ATOM 0 HG21 ILE B 82 3.484 -6.416 3.699 1.00 0.78 H new ATOM 0 HG22 ILE B 82 4.866 -7.335 3.058 1.00 0.78 H new ATOM 0 HG23 ILE B 82 5.064 -5.623 3.501 1.00 0.78 H new ATOM 0 HD11 ILE B 82 1.633 -3.541 2.585 1.00 0.72 H new ATOM 0 HD12 ILE B 82 1.361 -5.290 2.401 1.00 0.72 H new ATOM 0 HD13 ILE B 82 2.464 -4.689 3.661 1.00 0.72 H new ATOM 3126 N GLU B 83 5.541 -8.086 -0.151 1.00 0.78 N ATOM 3127 CA GLU B 83 6.141 -9.407 -0.305 1.00 0.85 C ATOM 3128 C GLU B 83 7.572 -9.284 -0.831 1.00 0.87 C ATOM 3129 O GLU B 83 8.407 -10.160 -0.604 1.00 0.94 O ATOM 3130 CB GLU B 83 5.302 -10.264 -1.262 1.00 0.88 C ATOM 3131 CG GLU B 83 5.492 -11.763 -1.080 1.00 1.11 C ATOM 3132 CD GLU B 83 4.609 -12.338 0.010 1.00 1.73 C ATOM 3133 OE1 GLU B 83 3.418 -12.602 -0.264 1.00 2.25 O ATOM 3134 OE2 GLU B 83 5.099 -12.539 1.141 1.00 2.41 O ATOM 0 H GLU B 83 4.760 -7.907 -0.782 1.00 0.78 H new ATOM 0 HA GLU B 83 6.166 -9.891 0.671 1.00 0.85 H new ATOM 0 HB2 GLU B 83 4.249 -10.022 -1.121 1.00 0.88 H new ATOM 0 HB3 GLU B 83 5.556 -9.998 -2.288 1.00 0.88 H new ATOM 0 HG2 GLU B 83 5.276 -12.269 -2.021 1.00 1.11 H new ATOM 0 HG3 GLU B 83 6.536 -11.966 -0.841 1.00 1.11 H new ATOM 3141 N THR B 84 7.851 -8.189 -1.532 1.00 0.83 N ATOM 3142 CA THR B 84 9.180 -7.948 -2.077 1.00 0.87 C ATOM 3143 C THR B 84 10.135 -7.496 -0.971 1.00 0.91 C ATOM 3144 O THR B 84 11.335 -7.786 -1.008 1.00 0.98 O ATOM 3145 CB THR B 84 9.142 -6.880 -3.189 1.00 0.84 C ATOM 3146 OG1 THR B 84 8.102 -7.189 -4.126 1.00 0.84 O ATOM 3147 CG2 THR B 84 10.475 -6.793 -3.925 1.00 0.87 C ATOM 0 H THR B 84 7.173 -7.455 -1.735 1.00 0.83 H new ATOM 0 HA THR B 84 9.536 -8.885 -2.506 1.00 0.87 H new ATOM 0 HB THR B 84 8.946 -5.916 -2.719 1.00 0.84 H new ATOM 0 HG1 THR B 84 7.231 -7.120 -3.682 1.00 0.84 H new ATOM 0 HG21 THR B 84 10.413 -6.031 -4.702 1.00 0.87 H new ATOM 0 HG22 THR B 84 11.263 -6.529 -3.220 1.00 0.87 H new ATOM 0 HG23 THR B 84 10.703 -7.757 -4.380 1.00 0.87 H new ATOM 3155 N LEU B 85 9.579 -6.804 0.022 1.00 0.90 N ATOM 3156 CA LEU B 85 10.360 -6.304 1.146 1.00 0.98 C ATOM 3157 C LEU B 85 10.662 -7.421 2.137 1.00 1.07 C ATOM 3158 O LEU B 85 11.630 -7.346 2.895 1.00 1.22 O ATOM 3159 CB LEU B 85 9.612 -5.169 1.854 1.00 0.97 C ATOM 3160 CG LEU B 85 9.585 -3.840 1.103 1.00 0.91 C ATOM 3161 CD1 LEU B 85 8.645 -2.864 1.789 1.00 1.03 C ATOM 3162 CD2 LEU B 85 10.987 -3.252 1.006 1.00 1.01 C ATOM 0 H LEU B 85 8.586 -6.577 0.068 1.00 0.90 H new ATOM 0 HA LEU B 85 11.303 -5.921 0.756 1.00 0.98 H new ATOM 0 HB2 LEU B 85 8.585 -5.488 2.032 1.00 0.97 H new ATOM 0 HB3 LEU B 85 10.070 -5.007 2.830 1.00 0.97 H new ATOM 0 HG LEU B 85 9.219 -4.022 0.093 1.00 0.91 H new ATOM 0 HD11 LEU B 85 8.637 -1.921 1.242 1.00 1.03 H new ATOM 0 HD12 LEU B 85 7.638 -3.281 1.809 1.00 1.03 H new ATOM 0 HD13 LEU B 85 8.985 -2.688 2.810 1.00 1.03 H new ATOM 0 HD21 LEU B 85 10.948 -2.305 0.468 1.00 1.01 H new ATOM 0 HD22 LEU B 85 11.381 -3.084 2.008 1.00 1.01 H new ATOM 0 HD23 LEU B 85 11.637 -3.946 0.473 1.00 1.01 H new ATOM 3174 N SER B 86 9.827 -8.451 2.135 1.00 1.08 N ATOM 3175 CA SER B 86 10.003 -9.582 3.032 1.00 1.20 C ATOM 3176 C SER B 86 9.708 -10.898 2.311 1.00 1.59 C ATOM 3177 O SER B 86 8.548 -11.287 2.171 1.00 2.11 O ATOM 3178 CB SER B 86 9.090 -9.426 4.250 1.00 1.48 C ATOM 3179 OG SER B 86 9.419 -8.259 4.984 1.00 1.78 O ATOM 0 H SER B 86 9.018 -8.525 1.519 1.00 1.08 H new ATOM 0 HA SER B 86 11.041 -9.604 3.365 1.00 1.20 H new ATOM 0 HB2 SER B 86 8.051 -9.375 3.926 1.00 1.48 H new ATOM 0 HB3 SER B 86 9.181 -10.302 4.892 1.00 1.48 H new ATOM 0 HG SER B 86 8.822 -8.179 5.757 1.00 1.78 H new