USER MOD reduce.3.24.130724 H: found=0, std=0, add=938, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 940 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 LYS NZ :NH3+ 176:sc= 0.906 (180deg=0) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0.789 USER MOD Set 2.1: A 48 TYR OH : rot 45:sc= 1.22 USER MOD Set 2.2: B 38 ASN : amide:sc= 1.18 K(o=2.4,f=-1.6) USER MOD Set 3.1: A 14 LYS NZ :NH3+ -111:sc= -0.164 (180deg=-0.517) USER MOD Set 3.2: A 18 GLN : amide:sc= -0.414 X(o=-0.58,f=-0.66) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0444) USER MOD Single : A 13 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0607) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 20 THR OG1 : rot 97:sc= 1.26 USER MOD Single : A 24 MET CE :methyl -111:sc= -1.87! (180deg=-4.61!) USER MOD Single : A 27 HIS : no HD1:sc= -0.171 K(o=-0.17,f=-0.86) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc=-0.00469 X(o=-0.0047,f=-0.0047) USER MOD Single : A 41 MET CE :methyl 173:sc= -3.34! (180deg=-4.06!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 92:sc= 0.989 USER MOD Single : A 53 GLN : amide:sc= -0.84 X(o=-0.84,f=-0.45) USER MOD Single : A 59 LYS NZ :NH3+ -164:sc= 1.1 (180deg=-0.0985!) USER MOD Single : A 60 SER OG : rot 76:sc= 1.27 USER MOD Single : A 61 THR OG1 : rot 77:sc= 1.23 USER MOD Single : B 9 LYS NZ :NH3+ -156:sc= -0.122 (180deg=-0.512) USER MOD Single : B 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 LYS NZ :NH3+ 171:sc=-0.00451 (180deg=-0.0959) USER MOD Single : B 16 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.7!) USER MOD Single : B 18 GLN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD Single : B 20 THR OG1 : rot 74:sc= 1.23 USER MOD Single : B 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 MET CE :methyl 161:sc= -0.0842 (180deg=-0.584) USER MOD Single : B 27 HIS : no HD1:sc= 1.2 K(o=1.2,f=-5.4!) USER MOD Single : B 35 THR OG1 : rot 71:sc= 1.12 USER MOD Single : B 41 MET CE :methyl 153:sc= -1.03 (180deg=-3.09!) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 THR OG1 : rot 72:sc= 1.06 USER MOD Single : B 48 TYR OH : rot 180:sc= 0 USER MOD Single : B 51 TYR OH : rot 100:sc= -1.19 USER MOD Single : B 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 61 THR OG1 : rot -35:sc= 0.0537 USER MOD ----------------------------------------------------------------- ATOM 53 N ALA A 5 29.593 -7.520 -15.197 1.00 0.00 N ATOM 54 CA ALA A 5 28.952 -8.327 -14.167 1.00 0.00 C ATOM 55 C ALA A 5 29.426 -7.973 -12.758 1.00 0.00 C ATOM 56 O ALA A 5 28.742 -8.279 -11.785 1.00 0.00 O ATOM 57 CB ALA A 5 29.185 -9.804 -14.438 1.00 0.00 C ATOM 0 HA ALA A 5 27.885 -8.107 -14.210 1.00 0.00 H new ATOM 0 HB1 ALA A 5 28.701 -10.397 -13.662 1.00 0.00 H new ATOM 0 HB2 ALA A 5 28.766 -10.066 -15.409 1.00 0.00 H new ATOM 0 HB3 ALA A 5 30.255 -10.010 -14.438 1.00 0.00 H new ATOM 63 N GLU A 6 30.589 -7.339 -12.638 1.00 0.00 N ATOM 64 CA GLU A 6 31.112 -6.967 -11.322 1.00 0.00 C ATOM 65 C GLU A 6 30.184 -5.990 -10.607 1.00 0.00 C ATOM 66 O GLU A 6 29.796 -6.205 -9.456 1.00 0.00 O ATOM 67 CB GLU A 6 32.511 -6.366 -11.442 1.00 0.00 C ATOM 68 CG GLU A 6 33.562 -7.389 -11.816 1.00 0.00 C ATOM 69 CD GLU A 6 34.973 -6.864 -11.662 1.00 0.00 C ATOM 70 OE1 GLU A 6 35.350 -6.489 -10.532 1.00 0.00 O ATOM 71 OE2 GLU A 6 35.709 -6.820 -12.670 1.00 0.00 O ATOM 0 H GLU A 6 31.183 -7.074 -13.424 1.00 0.00 H new ATOM 0 HA GLU A 6 31.170 -7.879 -10.727 1.00 0.00 H new ATOM 0 HB2 GLU A 6 32.498 -5.575 -12.192 1.00 0.00 H new ATOM 0 HB3 GLU A 6 32.784 -5.902 -10.494 1.00 0.00 H new ATOM 0 HG2 GLU A 6 33.439 -8.274 -11.192 1.00 0.00 H new ATOM 0 HG3 GLU A 6 33.406 -7.702 -12.848 1.00 0.00 H new ATOM 78 N GLU A 7 29.842 -4.917 -11.297 1.00 0.00 N ATOM 79 CA GLU A 7 28.902 -3.933 -10.767 1.00 0.00 C ATOM 80 C GLU A 7 27.510 -4.531 -10.702 1.00 0.00 C ATOM 81 O GLU A 7 26.746 -4.261 -9.779 1.00 0.00 O ATOM 82 CB GLU A 7 28.893 -2.689 -11.650 1.00 0.00 C ATOM 83 CG GLU A 7 28.148 -1.506 -11.044 1.00 0.00 C ATOM 84 CD GLU A 7 28.714 -1.079 -9.704 1.00 0.00 C ATOM 85 OE1 GLU A 7 29.847 -0.555 -9.678 1.00 0.00 O ATOM 86 OE2 GLU A 7 28.031 -1.266 -8.674 1.00 0.00 O ATOM 0 H GLU A 7 30.199 -4.700 -12.228 1.00 0.00 H new ATOM 0 HA GLU A 7 29.215 -3.650 -9.762 1.00 0.00 H new ATOM 0 HB2 GLU A 7 29.922 -2.392 -11.853 1.00 0.00 H new ATOM 0 HB3 GLU A 7 28.439 -2.939 -12.609 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.189 -0.664 -11.735 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.097 -1.768 -10.922 1.00 0.00 H new ATOM 93 N LEU A 8 27.211 -5.362 -11.682 1.00 0.00 N ATOM 94 CA LEU A 8 25.936 -6.020 -11.782 1.00 0.00 C ATOM 95 C LEU A 8 25.685 -6.912 -10.563 1.00 0.00 C ATOM 96 O LEU A 8 24.580 -6.955 -10.022 1.00 0.00 O ATOM 97 CB LEU A 8 25.929 -6.846 -13.062 1.00 0.00 C ATOM 98 CG LEU A 8 24.609 -7.512 -13.378 1.00 0.00 C ATOM 99 CD1 LEU A 8 23.589 -6.487 -13.853 1.00 0.00 C ATOM 100 CD2 LEU A 8 24.791 -8.619 -14.404 1.00 0.00 C ATOM 0 H LEU A 8 27.857 -5.597 -12.435 1.00 0.00 H new ATOM 0 HA LEU A 8 25.138 -5.278 -11.810 1.00 0.00 H new ATOM 0 HB2 LEU A 8 26.203 -6.200 -13.896 1.00 0.00 H new ATOM 0 HB3 LEU A 8 26.699 -7.614 -12.987 1.00 0.00 H new ATOM 0 HG LEU A 8 24.229 -7.966 -12.463 1.00 0.00 H new ATOM 0 HD11 LEU A 8 22.646 -6.987 -14.075 1.00 0.00 H new ATOM 0 HD12 LEU A 8 23.430 -5.743 -13.072 1.00 0.00 H new ATOM 0 HD13 LEU A 8 23.959 -5.995 -14.753 1.00 0.00 H new ATOM 0 HD21 LEU A 8 23.827 -9.082 -14.614 1.00 0.00 H new ATOM 0 HD22 LEU A 8 25.200 -8.200 -15.323 1.00 0.00 H new ATOM 0 HD23 LEU A 8 25.477 -9.370 -14.011 1.00 0.00 H new ATOM 112 N LYS A 9 26.729 -7.604 -10.132 1.00 0.00 N ATOM 113 CA LYS A 9 26.650 -8.504 -8.987 1.00 0.00 C ATOM 114 C LYS A 9 26.467 -7.716 -7.696 1.00 0.00 C ATOM 115 O LYS A 9 25.738 -8.142 -6.800 1.00 0.00 O ATOM 116 CB LYS A 9 27.921 -9.349 -8.906 1.00 0.00 C ATOM 117 CG LYS A 9 27.772 -10.626 -8.093 1.00 0.00 C ATOM 118 CD LYS A 9 26.833 -11.615 -8.769 1.00 0.00 C ATOM 119 CE LYS A 9 26.897 -12.986 -8.110 1.00 0.00 C ATOM 120 NZ LYS A 9 25.978 -13.960 -8.753 1.00 0.00 N ATOM 0 H LYS A 9 27.652 -7.559 -10.563 1.00 0.00 H new ATOM 0 HA LYS A 9 25.788 -9.159 -9.117 1.00 0.00 H new ATOM 0 HB2 LYS A 9 28.235 -9.610 -9.917 1.00 0.00 H new ATOM 0 HB3 LYS A 9 28.718 -8.746 -8.471 1.00 0.00 H new ATOM 0 HG2 LYS A 9 28.750 -11.087 -7.957 1.00 0.00 H new ATOM 0 HG3 LYS A 9 27.393 -10.384 -7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 9 25.812 -11.237 -8.725 1.00 0.00 H new ATOM 0 HD3 LYS A 9 27.095 -11.704 -9.823 1.00 0.00 H new ATOM 0 HE2 LYS A 9 27.918 -13.364 -8.160 1.00 0.00 H new ATOM 0 HE3 LYS A 9 26.644 -12.892 -7.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 26.055 -14.879 -8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 25.000 -13.613 -8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 26.235 -14.071 -9.755 1.00 0.00 H new ATOM 134 N ALA A 10 27.140 -6.574 -7.602 1.00 0.00 N ATOM 135 CA ALA A 10 26.994 -5.691 -6.450 1.00 0.00 C ATOM 136 C ALA A 10 25.615 -5.040 -6.453 1.00 0.00 C ATOM 137 O ALA A 10 25.015 -4.802 -5.401 1.00 0.00 O ATOM 138 CB ALA A 10 28.090 -4.635 -6.452 1.00 0.00 C ATOM 0 H ALA A 10 27.792 -6.238 -8.310 1.00 0.00 H new ATOM 0 HA ALA A 10 27.091 -6.283 -5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 10 27.969 -3.983 -5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 10 29.064 -5.122 -6.406 1.00 0.00 H new ATOM 0 HB3 ALA A 10 28.023 -4.043 -7.365 1.00 0.00 H new ATOM 144 N LYS A 11 25.124 -4.758 -7.651 1.00 0.00 N ATOM 145 CA LYS A 11 23.783 -4.222 -7.838 1.00 0.00 C ATOM 146 C LYS A 11 22.751 -5.262 -7.400 1.00 0.00 C ATOM 147 O LYS A 11 21.816 -4.954 -6.660 1.00 0.00 O ATOM 148 CB LYS A 11 23.590 -3.845 -9.314 1.00 0.00 C ATOM 149 CG LYS A 11 22.588 -2.728 -9.573 1.00 0.00 C ATOM 150 CD LYS A 11 21.153 -3.164 -9.340 1.00 0.00 C ATOM 151 CE LYS A 11 20.167 -2.139 -9.880 1.00 0.00 C ATOM 152 NZ LYS A 11 20.340 -0.802 -9.252 1.00 0.00 N ATOM 0 H LYS A 11 25.642 -4.894 -8.519 1.00 0.00 H new ATOM 0 HA LYS A 11 23.649 -3.328 -7.229 1.00 0.00 H new ATOM 0 HB2 LYS A 11 24.555 -3.548 -9.726 1.00 0.00 H new ATOM 0 HB3 LYS A 11 23.270 -4.732 -9.860 1.00 0.00 H new ATOM 0 HG2 LYS A 11 22.817 -1.883 -8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 11 22.696 -2.380 -10.600 1.00 0.00 H new ATOM 0 HD2 LYS A 11 20.981 -4.126 -9.822 1.00 0.00 H new ATOM 0 HD3 LYS A 11 20.983 -3.307 -8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 11 20.294 -2.050 -10.959 1.00 0.00 H new ATOM 0 HE3 LYS A 11 19.150 -2.490 -9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 19.555 -0.181 -9.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.345 -0.903 -8.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.241 -0.386 -9.564 1.00 0.00 H new ATOM 166 N LEU A 12 22.936 -6.499 -7.856 1.00 0.00 N ATOM 167 CA LEU A 12 22.072 -7.604 -7.457 1.00 0.00 C ATOM 168 C LEU A 12 22.163 -7.831 -5.956 1.00 0.00 C ATOM 169 O LEU A 12 21.157 -8.074 -5.301 1.00 0.00 O ATOM 170 CB LEU A 12 22.455 -8.885 -8.201 1.00 0.00 C ATOM 171 CG LEU A 12 21.622 -10.120 -7.845 1.00 0.00 C ATOM 172 CD1 LEU A 12 20.152 -9.887 -8.151 1.00 0.00 C ATOM 173 CD2 LEU A 12 22.135 -11.335 -8.600 1.00 0.00 C ATOM 0 H LEU A 12 23.679 -6.760 -8.504 1.00 0.00 H new ATOM 0 HA LEU A 12 21.046 -7.344 -7.715 1.00 0.00 H new ATOM 0 HB2 LEU A 12 22.367 -8.704 -9.272 1.00 0.00 H new ATOM 0 HB3 LEU A 12 23.504 -9.103 -7.999 1.00 0.00 H new ATOM 0 HG LEU A 12 21.721 -10.304 -6.775 1.00 0.00 H new ATOM 0 HD11 LEU A 12 19.580 -10.778 -7.890 1.00 0.00 H new ATOM 0 HD12 LEU A 12 19.789 -9.040 -7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 12 20.030 -9.676 -9.214 1.00 0.00 H new ATOM 0 HD21 LEU A 12 21.535 -12.206 -8.338 1.00 0.00 H new ATOM 0 HD22 LEU A 12 22.063 -11.154 -9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 12 23.176 -11.518 -8.332 1.00 0.00 H new ATOM 185 N LYS A 13 23.379 -7.741 -5.427 1.00 0.00 N ATOM 186 CA LYS A 13 23.612 -7.845 -3.986 1.00 0.00 C ATOM 187 C LYS A 13 22.716 -6.871 -3.237 1.00 0.00 C ATOM 188 O LYS A 13 22.026 -7.239 -2.284 1.00 0.00 O ATOM 189 CB LYS A 13 25.077 -7.527 -3.680 1.00 0.00 C ATOM 190 CG LYS A 13 25.427 -7.571 -2.203 1.00 0.00 C ATOM 191 CD LYS A 13 26.855 -7.112 -1.965 1.00 0.00 C ATOM 192 CE LYS A 13 27.200 -7.071 -0.485 1.00 0.00 C ATOM 193 NZ LYS A 13 27.129 -8.414 0.149 1.00 0.00 N ATOM 0 H LYS A 13 24.225 -7.595 -5.977 1.00 0.00 H new ATOM 0 HA LYS A 13 23.381 -8.860 -3.663 1.00 0.00 H new ATOM 0 HB2 LYS A 13 25.710 -8.236 -4.213 1.00 0.00 H new ATOM 0 HB3 LYS A 13 25.311 -6.536 -4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 13 24.740 -6.936 -1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 13 25.301 -8.586 -1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 13 27.542 -7.784 -2.479 1.00 0.00 H new ATOM 0 HD3 LYS A 13 26.994 -6.121 -2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 13 28.204 -6.665 -0.359 1.00 0.00 H new ATOM 0 HE3 LYS A 13 26.516 -6.394 0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 27.485 -8.357 1.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 26.142 -8.741 0.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 27.710 -9.085 -0.393 1.00 0.00 H new ATOM 207 N LYS A 14 22.733 -5.631 -3.696 1.00 0.00 N ATOM 208 CA LYS A 14 21.933 -4.574 -3.100 1.00 0.00 C ATOM 209 C LYS A 14 20.439 -4.902 -3.177 1.00 0.00 C ATOM 210 O LYS A 14 19.732 -4.852 -2.168 1.00 0.00 O ATOM 211 CB LYS A 14 22.219 -3.242 -3.802 1.00 0.00 C ATOM 212 CG LYS A 14 21.500 -2.060 -3.178 1.00 0.00 C ATOM 213 CD LYS A 14 21.923 -1.839 -1.735 1.00 0.00 C ATOM 214 CE LYS A 14 21.027 -0.824 -1.043 1.00 0.00 C ATOM 215 NZ LYS A 14 19.617 -1.291 -0.971 1.00 0.00 N ATOM 0 H LYS A 14 23.299 -5.329 -4.489 1.00 0.00 H new ATOM 0 HA LYS A 14 22.206 -4.491 -2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 14 23.293 -3.054 -3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.927 -3.323 -4.849 1.00 0.00 H new ATOM 0 HG2 LYS A 14 21.707 -1.161 -3.759 1.00 0.00 H new ATOM 0 HG3 LYS A 14 20.424 -2.226 -3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 14 21.888 -2.785 -1.195 1.00 0.00 H new ATOM 0 HD3 LYS A 14 22.956 -1.494 -1.706 1.00 0.00 H new ATOM 0 HE2 LYS A 14 21.400 -0.637 -0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 14 21.069 0.124 -1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 19.025 -0.706 -1.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 19.564 -2.284 -1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 19.274 -1.210 0.007 1.00 0.00 H new ATOM 229 N LEU A 15 19.973 -5.254 -4.371 1.00 0.00 N ATOM 230 CA LEU A 15 18.558 -5.546 -4.595 1.00 0.00 C ATOM 231 C LEU A 15 18.111 -6.769 -3.805 1.00 0.00 C ATOM 232 O LEU A 15 17.064 -6.750 -3.159 1.00 0.00 O ATOM 233 CB LEU A 15 18.286 -5.776 -6.084 1.00 0.00 C ATOM 234 CG LEU A 15 18.476 -4.556 -6.985 1.00 0.00 C ATOM 235 CD1 LEU A 15 18.178 -4.921 -8.431 1.00 0.00 C ATOM 236 CD2 LEU A 15 17.585 -3.413 -6.527 1.00 0.00 C ATOM 0 H LEU A 15 20.556 -5.345 -5.203 1.00 0.00 H new ATOM 0 HA LEU A 15 17.989 -4.683 -4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 15 18.942 -6.572 -6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.263 -6.133 -6.197 1.00 0.00 H new ATOM 0 HG LEU A 15 19.513 -4.229 -6.916 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.317 -4.044 -9.064 1.00 0.00 H new ATOM 0 HD12 LEU A 15 18.855 -5.712 -8.754 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.148 -5.269 -8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.733 -2.552 -7.179 1.00 0.00 H new ATOM 0 HD22 LEU A 15 16.542 -3.725 -6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.841 -3.140 -5.503 1.00 0.00 H new ATOM 248 N ASN A 16 18.916 -7.821 -3.862 1.00 0.00 N ATOM 249 CA ASN A 16 18.614 -9.081 -3.189 1.00 0.00 C ATOM 250 C ASN A 16 18.353 -8.859 -1.702 1.00 0.00 C ATOM 251 O ASN A 16 17.334 -9.300 -1.169 1.00 0.00 O ATOM 252 CB ASN A 16 19.774 -10.063 -3.382 1.00 0.00 C ATOM 253 CG ASN A 16 19.533 -11.411 -2.730 1.00 0.00 C ATOM 254 OD1 ASN A 16 19.879 -11.625 -1.568 1.00 0.00 O ATOM 255 ND2 ASN A 16 18.950 -12.335 -3.478 1.00 0.00 N ATOM 0 H ASN A 16 19.797 -7.827 -4.376 1.00 0.00 H new ATOM 0 HA ASN A 16 17.710 -9.500 -3.631 1.00 0.00 H new ATOM 0 HB2 ASN A 16 19.944 -10.208 -4.449 1.00 0.00 H new ATOM 0 HB3 ASN A 16 20.684 -9.626 -2.971 1.00 0.00 H new ATOM 0 HD21 ASN A 16 18.773 -13.264 -3.095 1.00 0.00 H new ATOM 0 HD22 ASN A 16 18.678 -12.118 -4.437 1.00 0.00 H new ATOM 262 N ALA A 17 19.266 -8.156 -1.046 1.00 0.00 N ATOM 263 CA ALA A 17 19.144 -7.893 0.381 1.00 0.00 C ATOM 264 C ALA A 17 17.966 -6.971 0.677 1.00 0.00 C ATOM 265 O ALA A 17 17.235 -7.182 1.644 1.00 0.00 O ATOM 266 CB ALA A 17 20.434 -7.299 0.926 1.00 0.00 C ATOM 0 H ALA A 17 20.099 -7.758 -1.479 1.00 0.00 H new ATOM 0 HA ALA A 17 18.958 -8.844 0.880 1.00 0.00 H new ATOM 0 HB1 ALA A 17 20.324 -7.109 1.994 1.00 0.00 H new ATOM 0 HB2 ALA A 17 21.254 -7.999 0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 17 20.649 -6.363 0.411 1.00 0.00 H new ATOM 272 N GLN A 18 17.772 -5.963 -0.169 1.00 0.00 N ATOM 273 CA GLN A 18 16.708 -4.985 0.039 1.00 0.00 C ATOM 274 C GLN A 18 15.337 -5.637 -0.098 1.00 0.00 C ATOM 275 O GLN A 18 14.473 -5.473 0.763 1.00 0.00 O ATOM 276 CB GLN A 18 16.837 -3.827 -0.953 1.00 0.00 C ATOM 277 CG GLN A 18 15.834 -2.708 -0.717 1.00 0.00 C ATOM 278 CD GLN A 18 15.945 -1.594 -1.738 1.00 0.00 C ATOM 279 OE1 GLN A 18 16.705 -0.642 -1.557 1.00 0.00 O ATOM 280 NE2 GLN A 18 15.182 -1.705 -2.813 1.00 0.00 N ATOM 0 H GLN A 18 18.336 -5.802 -1.003 1.00 0.00 H new ATOM 0 HA GLN A 18 16.807 -4.593 1.051 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.846 -3.418 -0.892 1.00 0.00 H new ATOM 0 HB3 GLN A 18 16.709 -4.211 -1.965 1.00 0.00 H new ATOM 0 HG2 GLN A 18 14.825 -3.119 -0.743 1.00 0.00 H new ATOM 0 HG3 GLN A 18 15.984 -2.296 0.281 1.00 0.00 H new ATOM 0 HE21 GLN A 18 14.567 -2.512 -2.921 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.209 -0.984 -3.534 1.00 0.00 H new ATOM 289 N ALA A 19 15.149 -6.387 -1.177 1.00 0.00 N ATOM 290 CA ALA A 19 13.873 -7.031 -1.449 1.00 0.00 C ATOM 291 C ALA A 19 13.511 -8.026 -0.355 1.00 0.00 C ATOM 292 O ALA A 19 12.361 -8.100 0.065 1.00 0.00 O ATOM 293 CB ALA A 19 13.906 -7.720 -2.804 1.00 0.00 C ATOM 0 H ALA A 19 15.867 -6.564 -1.879 1.00 0.00 H new ATOM 0 HA ALA A 19 13.104 -6.259 -1.466 1.00 0.00 H new ATOM 0 HB1 ALA A 19 12.944 -8.197 -2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 19 14.105 -6.983 -3.582 1.00 0.00 H new ATOM 0 HB3 ALA A 19 14.693 -8.474 -2.809 1.00 0.00 H new ATOM 299 N THR A 20 14.503 -8.773 0.112 1.00 0.00 N ATOM 300 CA THR A 20 14.285 -9.778 1.144 1.00 0.00 C ATOM 301 C THR A 20 13.941 -9.125 2.486 1.00 0.00 C ATOM 302 O THR A 20 13.099 -9.624 3.236 1.00 0.00 O ATOM 303 CB THR A 20 15.528 -10.681 1.299 1.00 0.00 C ATOM 304 OG1 THR A 20 15.908 -11.204 0.015 1.00 0.00 O ATOM 305 CG2 THR A 20 15.251 -11.836 2.251 1.00 0.00 C ATOM 0 H THR A 20 15.469 -8.701 -0.209 1.00 0.00 H new ATOM 0 HA THR A 20 13.440 -10.393 0.834 1.00 0.00 H new ATOM 0 HB THR A 20 16.337 -10.079 1.711 1.00 0.00 H new ATOM 0 HG1 THR A 20 16.623 -10.652 -0.365 1.00 0.00 H new ATOM 0 HG21 THR A 20 16.143 -12.455 2.341 1.00 0.00 H new ATOM 0 HG22 THR A 20 14.982 -11.443 3.231 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.429 -12.438 1.863 1.00 0.00 H new ATOM 313 N ALA A 21 14.578 -7.994 2.770 1.00 0.00 N ATOM 314 CA ALA A 21 14.330 -7.265 4.009 1.00 0.00 C ATOM 315 C ALA A 21 12.910 -6.704 4.038 1.00 0.00 C ATOM 316 O ALA A 21 12.151 -6.955 4.977 1.00 0.00 O ATOM 317 CB ALA A 21 15.349 -6.151 4.178 1.00 0.00 C ATOM 0 H ALA A 21 15.271 -7.562 2.158 1.00 0.00 H new ATOM 0 HA ALA A 21 14.433 -7.961 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.152 -5.615 5.107 1.00 0.00 H new ATOM 0 HB2 ALA A 21 16.352 -6.577 4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 21 15.275 -5.460 3.338 1.00 0.00 H new ATOM 323 N LEU A 22 12.548 -5.964 2.994 1.00 0.00 N ATOM 324 CA LEU A 22 11.219 -5.355 2.907 1.00 0.00 C ATOM 325 C LEU A 22 10.133 -6.423 2.824 1.00 0.00 C ATOM 326 O LEU A 22 9.014 -6.217 3.287 1.00 0.00 O ATOM 327 CB LEU A 22 11.122 -4.411 1.700 1.00 0.00 C ATOM 328 CG LEU A 22 11.628 -2.977 1.928 1.00 0.00 C ATOM 329 CD1 LEU A 22 10.862 -2.310 3.060 1.00 0.00 C ATOM 330 CD2 LEU A 22 13.120 -2.964 2.214 1.00 0.00 C ATOM 0 H LEU A 22 13.153 -5.770 2.196 1.00 0.00 H new ATOM 0 HA LEU A 22 11.065 -4.772 3.815 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.685 -4.848 0.875 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.080 -4.362 1.384 1.00 0.00 H new ATOM 0 HG LEU A 22 11.454 -2.411 1.013 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.236 -1.296 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.802 -2.273 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 22 10.999 -2.881 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 22 13.451 -1.938 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 22 13.324 -3.552 3.109 1.00 0.00 H new ATOM 0 HD23 LEU A 22 13.656 -3.393 1.368 1.00 0.00 H new ATOM 342 N LYS A 23 10.481 -7.565 2.245 1.00 0.00 N ATOM 343 CA LYS A 23 9.565 -8.694 2.136 1.00 0.00 C ATOM 344 C LYS A 23 9.059 -9.105 3.518 1.00 0.00 C ATOM 345 O LYS A 23 7.869 -9.361 3.709 1.00 0.00 O ATOM 346 CB LYS A 23 10.282 -9.862 1.457 1.00 0.00 C ATOM 347 CG LYS A 23 9.405 -11.068 1.177 1.00 0.00 C ATOM 348 CD LYS A 23 10.173 -12.115 0.383 1.00 0.00 C ATOM 349 CE LYS A 23 9.332 -13.348 0.097 1.00 0.00 C ATOM 350 NZ LYS A 23 10.054 -14.315 -0.770 1.00 0.00 N ATOM 0 H LYS A 23 11.401 -7.735 1.839 1.00 0.00 H new ATOM 0 HA LYS A 23 8.704 -8.404 1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.707 -9.512 0.516 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.115 -10.174 2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 23 9.058 -11.498 2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 23 8.519 -10.760 0.621 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.510 -11.680 -0.558 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.066 -12.406 0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.063 -13.831 1.036 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.401 -13.050 -0.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.478 -15.172 -0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.229 -13.884 -1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.962 -14.566 -0.329 1.00 0.00 H new ATOM 364 N MET A 24 9.974 -9.161 4.480 1.00 0.00 N ATOM 365 CA MET A 24 9.624 -9.498 5.855 1.00 0.00 C ATOM 366 C MET A 24 8.963 -8.315 6.552 1.00 0.00 C ATOM 367 O MET A 24 8.025 -8.489 7.336 1.00 0.00 O ATOM 368 CB MET A 24 10.859 -9.944 6.643 1.00 0.00 C ATOM 369 CG MET A 24 11.454 -11.268 6.178 1.00 0.00 C ATOM 370 SD MET A 24 10.366 -12.685 6.473 1.00 0.00 S ATOM 371 CE MET A 24 9.264 -12.606 5.059 1.00 0.00 C ATOM 0 H MET A 24 10.966 -8.977 4.332 1.00 0.00 H new ATOM 0 HA MET A 24 8.916 -10.326 5.821 1.00 0.00 H new ATOM 0 HB2 MET A 24 11.622 -9.170 6.569 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.593 -10.029 7.697 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.676 -11.205 5.113 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.401 -11.433 6.691 1.00 0.00 H new ATOM 0 HE1 MET A 24 8.265 -12.326 5.392 1.00 0.00 H new ATOM 0 HE2 MET A 24 9.633 -11.863 4.351 1.00 0.00 H new ATOM 0 HE3 MET A 24 9.224 -13.581 4.574 1.00 0.00 H new ATOM 381 N ASP A 25 9.453 -7.115 6.254 1.00 0.00 N ATOM 382 CA ASP A 25 8.948 -5.892 6.882 1.00 0.00 C ATOM 383 C ASP A 25 7.465 -5.703 6.567 1.00 0.00 C ATOM 384 O ASP A 25 6.664 -5.392 7.451 1.00 0.00 O ATOM 385 CB ASP A 25 9.743 -4.674 6.395 1.00 0.00 C ATOM 386 CG ASP A 25 9.760 -3.533 7.399 1.00 0.00 C ATOM 387 OD1 ASP A 25 8.697 -2.943 7.672 1.00 0.00 O ATOM 388 OD2 ASP A 25 10.855 -3.218 7.920 1.00 0.00 O ATOM 0 H ASP A 25 10.202 -6.960 5.579 1.00 0.00 H new ATOM 0 HA ASP A 25 9.070 -5.986 7.961 1.00 0.00 H new ATOM 0 HB2 ASP A 25 10.768 -4.978 6.182 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.315 -4.319 5.458 1.00 0.00 H new ATOM 393 N LEU A 26 7.107 -5.927 5.305 1.00 0.00 N ATOM 394 CA LEU A 26 5.725 -5.802 4.854 1.00 0.00 C ATOM 395 C LEU A 26 4.810 -6.765 5.606 1.00 0.00 C ATOM 396 O LEU A 26 3.727 -6.383 6.051 1.00 0.00 O ATOM 397 CB LEU A 26 5.637 -6.072 3.351 1.00 0.00 C ATOM 398 CG LEU A 26 4.233 -5.957 2.746 1.00 0.00 C ATOM 399 CD1 LEU A 26 3.725 -4.526 2.831 1.00 0.00 C ATOM 400 CD2 LEU A 26 4.232 -6.441 1.305 1.00 0.00 C ATOM 0 H LEU A 26 7.762 -6.198 4.572 1.00 0.00 H new ATOM 0 HA LEU A 26 5.394 -4.784 5.060 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.296 -5.374 2.834 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.018 -7.074 3.156 1.00 0.00 H new ATOM 0 HG LEU A 26 3.560 -6.591 3.322 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.727 -4.468 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.684 -4.216 3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.399 -3.868 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.227 -6.352 0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.921 -5.835 0.717 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.547 -7.484 1.271 1.00 0.00 H new ATOM 412 N HIS A 27 5.249 -8.010 5.751 1.00 0.00 N ATOM 413 CA HIS A 27 4.454 -9.013 6.451 1.00 0.00 C ATOM 414 C HIS A 27 4.285 -8.632 7.919 1.00 0.00 C ATOM 415 O HIS A 27 3.215 -8.818 8.498 1.00 0.00 O ATOM 416 CB HIS A 27 5.086 -10.406 6.330 1.00 0.00 C ATOM 417 CG HIS A 27 4.316 -11.468 7.058 1.00 0.00 C ATOM 418 ND1 HIS A 27 4.898 -12.350 7.937 1.00 0.00 N ATOM 419 CD2 HIS A 27 2.994 -11.767 7.050 1.00 0.00 C ATOM 420 CE1 HIS A 27 3.970 -13.147 8.433 1.00 0.00 C ATOM 421 NE2 HIS A 27 2.801 -12.812 7.918 1.00 0.00 N ATOM 0 H HIS A 27 6.144 -8.348 5.396 1.00 0.00 H new ATOM 0 HA HIS A 27 3.471 -9.047 5.982 1.00 0.00 H new ATOM 0 HB2 HIS A 27 5.157 -10.676 5.276 1.00 0.00 H new ATOM 0 HB3 HIS A 27 6.103 -10.372 6.720 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.231 -11.273 6.467 1.00 0.00 H new ATOM 0 HE1 HIS A 27 4.139 -13.943 9.144 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.907 -13.255 8.129 1.00 0.00 H new ATOM 430 N ASP A 28 5.338 -8.087 8.511 1.00 0.00 N ATOM 431 CA ASP A 28 5.280 -7.640 9.894 1.00 0.00 C ATOM 432 C ASP A 28 4.284 -6.498 10.038 1.00 0.00 C ATOM 433 O ASP A 28 3.500 -6.467 10.983 1.00 0.00 O ATOM 434 CB ASP A 28 6.659 -7.198 10.383 1.00 0.00 C ATOM 435 CG ASP A 28 6.620 -6.615 11.783 1.00 0.00 C ATOM 436 OD1 ASP A 28 6.406 -7.379 12.747 1.00 0.00 O ATOM 437 OD2 ASP A 28 6.800 -5.389 11.925 1.00 0.00 O ATOM 0 H ASP A 28 6.240 -7.944 8.056 1.00 0.00 H new ATOM 0 HA ASP A 28 4.951 -8.478 10.508 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.337 -8.051 10.367 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.064 -6.456 9.695 1.00 0.00 H new ATOM 442 N LEU A 29 4.309 -5.576 9.084 1.00 0.00 N ATOM 443 CA LEU A 29 3.387 -4.448 9.086 1.00 0.00 C ATOM 444 C LEU A 29 1.944 -4.925 8.943 1.00 0.00 C ATOM 445 O LEU A 29 1.031 -4.353 9.535 1.00 0.00 O ATOM 446 CB LEU A 29 3.722 -3.480 7.948 1.00 0.00 C ATOM 447 CG LEU A 29 2.872 -2.208 7.910 1.00 0.00 C ATOM 448 CD1 LEU A 29 3.189 -1.318 9.101 1.00 0.00 C ATOM 449 CD2 LEU A 29 3.089 -1.460 6.603 1.00 0.00 C ATOM 0 H LEU A 29 4.959 -5.588 8.298 1.00 0.00 H new ATOM 0 HA LEU A 29 3.494 -3.931 10.040 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.771 -3.196 8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.607 -4.004 6.999 1.00 0.00 H new ATOM 0 HG LEU A 29 1.822 -2.493 7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.575 -0.419 9.057 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.977 -1.857 10.024 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.243 -1.040 9.077 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.477 -0.558 6.594 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.140 -1.186 6.511 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.806 -2.099 5.767 1.00 0.00 H new ATOM 461 N ALA A 30 1.749 -5.978 8.156 1.00 0.00 N ATOM 462 CA ALA A 30 0.425 -6.556 7.954 1.00 0.00 C ATOM 463 C ALA A 30 -0.164 -7.056 9.270 1.00 0.00 C ATOM 464 O ALA A 30 -1.361 -6.923 9.519 1.00 0.00 O ATOM 465 CB ALA A 30 0.490 -7.686 6.938 1.00 0.00 C ATOM 0 H ALA A 30 2.495 -6.450 7.645 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.229 -5.774 7.568 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.506 -8.107 6.798 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.858 -7.300 5.987 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.165 -8.462 7.300 1.00 0.00 H new ATOM 471 N GLU A 31 0.684 -7.633 10.109 1.00 0.00 N ATOM 472 CA GLU A 31 0.261 -8.097 11.424 1.00 0.00 C ATOM 473 C GLU A 31 0.243 -6.946 12.428 1.00 0.00 C ATOM 474 O GLU A 31 -0.442 -7.009 13.448 1.00 0.00 O ATOM 475 CB GLU A 31 1.184 -9.211 11.924 1.00 0.00 C ATOM 476 CG GLU A 31 0.556 -10.597 11.898 1.00 0.00 C ATOM 477 CD GLU A 31 0.204 -11.069 10.501 1.00 0.00 C ATOM 478 OE1 GLU A 31 1.110 -11.552 9.789 1.00 0.00 O ATOM 479 OE2 GLU A 31 -0.986 -10.983 10.121 1.00 0.00 O ATOM 0 H GLU A 31 1.670 -7.792 9.903 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.751 -8.492 11.330 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.087 -9.221 11.313 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.492 -8.982 12.944 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.245 -11.309 12.352 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.346 -10.591 12.510 1.00 0.00 H new ATOM 486 N ASP A 32 1.003 -5.897 12.130 1.00 0.00 N ATOM 487 CA ASP A 32 1.114 -4.748 13.027 1.00 0.00 C ATOM 488 C ASP A 32 0.043 -3.703 12.703 1.00 0.00 C ATOM 489 O ASP A 32 0.105 -2.555 13.154 1.00 0.00 O ATOM 490 CB ASP A 32 2.515 -4.134 12.945 1.00 0.00 C ATOM 491 CG ASP A 32 2.867 -3.324 14.178 1.00 0.00 C ATOM 492 OD1 ASP A 32 2.267 -3.563 15.248 1.00 0.00 O ATOM 493 OD2 ASP A 32 3.766 -2.462 14.094 1.00 0.00 O ATOM 0 H ASP A 32 1.552 -5.817 11.274 1.00 0.00 H new ATOM 0 HA ASP A 32 0.952 -5.094 14.048 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.249 -4.929 12.814 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.577 -3.495 12.064 1.00 0.00 H new ATOM 498 N LEU A 33 -0.936 -4.120 11.909 1.00 0.00 N ATOM 499 CA LEU A 33 -2.152 -3.346 11.672 1.00 0.00 C ATOM 500 C LEU A 33 -2.858 -3.035 12.980 1.00 0.00 C ATOM 501 O LEU A 33 -2.527 -3.612 14.017 1.00 0.00 O ATOM 502 CB LEU A 33 -3.055 -4.036 10.651 1.00 0.00 C ATOM 503 CG LEU A 33 -2.732 -3.689 9.196 1.00 0.00 C ATOM 504 CD1 LEU A 33 -3.673 -4.416 8.251 1.00 0.00 C ATOM 505 CD2 LEU A 33 -2.810 -2.178 8.981 1.00 0.00 C ATOM 0 H LEU A 33 -0.910 -5.008 11.408 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.876 -2.387 11.233 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.975 -5.115 10.782 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.091 -3.765 10.857 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.715 -4.016 8.979 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.427 -4.156 7.221 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.567 -5.492 8.389 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.701 -4.122 8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.578 -1.946 7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.816 -1.829 9.215 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.092 -1.680 9.633 1.00 0.00 H new ATOM 517 N PRO A 34 -3.923 -2.214 12.926 1.00 0.00 N ATOM 518 CA PRO A 34 -4.137 -1.086 13.792 1.00 0.00 C ATOM 519 C PRO A 34 -2.939 -0.700 14.654 1.00 0.00 C ATOM 520 O PRO A 34 -2.372 -1.504 15.389 1.00 0.00 O ATOM 521 CB PRO A 34 -5.351 -1.592 14.550 1.00 0.00 C ATOM 522 CG PRO A 34 -6.152 -2.286 13.464 1.00 0.00 C ATOM 523 CD PRO A 34 -5.199 -2.488 12.286 1.00 0.00 C ATOM 0 HA PRO A 34 -4.285 -0.134 13.283 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.073 -2.278 15.350 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.911 -0.777 15.009 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.540 -3.241 13.818 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -7.011 -1.683 13.170 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.250 -3.498 11.880 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.406 -1.803 11.464 1.00 0.00 H new ATOM 531 N THR A 35 -2.621 0.588 14.544 1.00 0.00 N ATOM 532 CA THR A 35 -1.467 1.233 15.184 1.00 0.00 C ATOM 533 C THR A 35 -0.297 1.307 14.190 1.00 0.00 C ATOM 534 O THR A 35 0.651 2.073 14.373 1.00 0.00 O ATOM 535 CB THR A 35 -1.035 0.541 16.507 1.00 0.00 C ATOM 536 OG1 THR A 35 -2.151 0.478 17.410 1.00 0.00 O ATOM 537 CG2 THR A 35 0.109 1.284 17.186 1.00 0.00 C ATOM 0 H THR A 35 -3.177 1.238 13.988 1.00 0.00 H new ATOM 0 HA THR A 35 -1.773 2.241 15.463 1.00 0.00 H new ATOM 0 HB THR A 35 -0.692 -0.463 16.255 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.874 0.040 18.242 1.00 0.00 H new ATOM 0 HG21 THR A 35 0.382 0.769 18.107 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.970 1.314 16.519 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.205 2.301 17.419 1.00 0.00 H new ATOM 545 N GLY A 36 -0.397 0.549 13.101 1.00 0.00 N ATOM 546 CA GLY A 36 0.629 0.582 12.073 1.00 0.00 C ATOM 547 C GLY A 36 0.105 1.059 10.728 1.00 0.00 C ATOM 548 O GLY A 36 0.658 0.719 9.684 1.00 0.00 O ATOM 0 H GLY A 36 -1.171 -0.088 12.912 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.438 1.238 12.395 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.054 -0.415 11.959 1.00 0.00 H new ATOM 552 N TRP A 37 -0.948 1.871 10.750 1.00 0.00 N ATOM 553 CA TRP A 37 -1.584 2.344 9.519 1.00 0.00 C ATOM 554 C TRP A 37 -0.706 3.355 8.782 1.00 0.00 C ATOM 555 O TRP A 37 -0.633 3.353 7.553 1.00 0.00 O ATOM 556 CB TRP A 37 -2.926 3.018 9.819 1.00 0.00 C ATOM 557 CG TRP A 37 -3.991 2.133 10.389 1.00 0.00 C ATOM 558 CD1 TRP A 37 -4.355 2.037 11.700 1.00 0.00 C ATOM 559 CD2 TRP A 37 -4.856 1.249 9.665 1.00 0.00 C ATOM 560 NE1 TRP A 37 -5.391 1.149 11.840 1.00 0.00 N ATOM 561 CE2 TRP A 37 -5.716 0.647 10.603 1.00 0.00 C ATOM 562 CE3 TRP A 37 -4.986 0.906 8.314 1.00 0.00 C ATOM 563 CZ2 TRP A 37 -6.691 -0.277 10.232 1.00 0.00 C ATOM 564 CZ3 TRP A 37 -5.953 -0.011 7.950 1.00 0.00 C ATOM 565 CH2 TRP A 37 -6.795 -0.593 8.907 1.00 0.00 C ATOM 0 H TRP A 37 -1.381 2.217 11.606 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.734 1.465 8.893 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -2.751 3.838 10.516 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.303 3.459 8.896 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.894 2.582 12.511 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -5.846 0.902 12.719 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -4.342 1.350 7.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -7.342 -0.728 10.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.062 -0.284 6.911 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -7.542 -1.306 8.591 1.00 0.00 H new ATOM 576 N ASN A 38 -0.027 4.212 9.535 1.00 0.00 N ATOM 577 CA ASN A 38 0.665 5.359 8.949 1.00 0.00 C ATOM 578 C ASN A 38 1.910 4.928 8.167 1.00 0.00 C ATOM 579 O ASN A 38 2.470 5.701 7.393 1.00 0.00 O ATOM 580 CB ASN A 38 1.033 6.366 10.049 1.00 0.00 C ATOM 581 CG ASN A 38 1.495 7.706 9.499 1.00 0.00 C ATOM 582 OD1 ASN A 38 0.679 8.574 9.187 1.00 0.00 O ATOM 583 ND2 ASN A 38 2.801 7.904 9.412 1.00 0.00 N ATOM 0 H ASN A 38 0.061 4.137 10.548 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.011 5.838 8.241 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.168 6.523 10.694 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.822 5.944 10.671 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.160 8.798 9.078 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.448 7.162 9.679 1.00 0.00 H new ATOM 590 N ARG A 39 2.322 3.684 8.349 1.00 0.00 N ATOM 591 CA ARG A 39 3.519 3.179 7.699 1.00 0.00 C ATOM 592 C ARG A 39 3.171 2.444 6.409 1.00 0.00 C ATOM 593 O ARG A 39 4.055 2.105 5.621 1.00 0.00 O ATOM 594 CB ARG A 39 4.245 2.233 8.646 1.00 0.00 C ATOM 595 CG ARG A 39 4.381 2.774 10.056 1.00 0.00 C ATOM 596 CD ARG A 39 4.997 1.744 10.979 1.00 0.00 C ATOM 597 NE ARG A 39 4.587 1.944 12.364 1.00 0.00 N ATOM 598 CZ ARG A 39 4.271 0.951 13.188 1.00 0.00 C ATOM 599 NH1 ARG A 39 4.385 -0.306 12.781 1.00 0.00 N ATOM 600 NH2 ARG A 39 3.851 1.209 14.416 1.00 0.00 N ATOM 0 H ARG A 39 1.844 3.005 8.942 1.00 0.00 H new ATOM 0 HA ARG A 39 4.162 4.023 7.449 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.710 1.284 8.680 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.238 2.025 8.248 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.998 3.673 10.046 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.401 3.065 10.433 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.706 0.745 10.654 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.083 1.798 10.910 1.00 0.00 H new ATOM 0 HE ARG A 39 4.540 2.899 12.720 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.715 -0.509 11.837 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.143 -1.070 13.412 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.768 2.174 14.734 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.610 0.442 15.044 1.00 0.00 H new ATOM 614 N ILE A 40 1.876 2.215 6.198 1.00 0.00 N ATOM 615 CA ILE A 40 1.396 1.413 5.074 1.00 0.00 C ATOM 616 C ILE A 40 1.933 1.914 3.734 1.00 0.00 C ATOM 617 O ILE A 40 2.509 1.143 2.974 1.00 0.00 O ATOM 618 CB ILE A 40 -0.152 1.363 5.043 1.00 0.00 C ATOM 619 CG1 ILE A 40 -0.673 0.502 6.198 1.00 0.00 C ATOM 620 CG2 ILE A 40 -0.661 0.829 3.708 1.00 0.00 C ATOM 621 CD1 ILE A 40 -2.181 0.403 6.246 1.00 0.00 C ATOM 0 H ILE A 40 1.134 2.577 6.797 1.00 0.00 H new ATOM 0 HA ILE A 40 1.778 0.404 5.227 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.528 2.379 5.160 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.254 -0.500 6.111 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -0.314 0.917 7.140 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.751 0.806 3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.319 1.478 2.902 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.278 -0.179 3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.478 -0.222 7.089 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.607 1.399 6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.546 -0.040 5.319 1.00 0.00 H new ATOM 633 N MET A 41 1.778 3.206 3.465 1.00 0.00 N ATOM 634 CA MET A 41 2.172 3.770 2.174 1.00 0.00 C ATOM 635 C MET A 41 3.654 3.551 1.886 1.00 0.00 C ATOM 636 O MET A 41 4.021 3.171 0.776 1.00 0.00 O ATOM 637 CB MET A 41 1.844 5.264 2.114 1.00 0.00 C ATOM 638 CG MET A 41 0.357 5.580 1.999 1.00 0.00 C ATOM 639 SD MET A 41 -0.241 5.658 0.289 1.00 0.00 S ATOM 640 CE MET A 41 -0.032 3.966 -0.261 1.00 0.00 C ATOM 0 H MET A 41 1.384 3.882 4.119 1.00 0.00 H new ATOM 0 HA MET A 41 1.601 3.247 1.407 1.00 0.00 H new ATOM 0 HB2 MET A 41 2.237 5.746 3.009 1.00 0.00 H new ATOM 0 HB3 MET A 41 2.363 5.703 1.262 1.00 0.00 H new ATOM 0 HG2 MET A 41 -0.210 4.821 2.538 1.00 0.00 H new ATOM 0 HG3 MET A 41 0.158 6.534 2.488 1.00 0.00 H new ATOM 0 HE1 MET A 41 -0.475 3.848 -1.250 1.00 0.00 H new ATOM 0 HE2 MET A 41 1.031 3.727 -0.308 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.524 3.292 0.440 1.00 0.00 H new ATOM 650 N GLU A 42 4.491 3.768 2.892 1.00 0.00 N ATOM 651 CA GLU A 42 5.932 3.636 2.728 1.00 0.00 C ATOM 652 C GLU A 42 6.310 2.196 2.422 1.00 0.00 C ATOM 653 O GLU A 42 6.906 1.899 1.384 1.00 0.00 O ATOM 654 CB GLU A 42 6.655 4.085 3.998 1.00 0.00 C ATOM 655 CG GLU A 42 8.170 4.063 3.876 1.00 0.00 C ATOM 656 CD GLU A 42 8.866 4.332 5.195 1.00 0.00 C ATOM 657 OE1 GLU A 42 8.409 5.215 5.950 1.00 0.00 O ATOM 658 OE2 GLU A 42 9.866 3.650 5.492 1.00 0.00 O ATOM 0 H GLU A 42 4.196 4.036 3.831 1.00 0.00 H new ATOM 0 HA GLU A 42 6.233 4.269 1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.334 5.095 4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.356 3.439 4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.486 3.092 3.494 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.483 4.809 3.146 1.00 0.00 H new ATOM 665 N VAL A 43 5.947 1.307 3.333 1.00 0.00 N ATOM 666 CA VAL A 43 6.312 -0.096 3.219 1.00 0.00 C ATOM 667 C VAL A 43 5.696 -0.728 1.971 1.00 0.00 C ATOM 668 O VAL A 43 6.351 -1.515 1.286 1.00 0.00 O ATOM 669 CB VAL A 43 5.892 -0.891 4.472 1.00 0.00 C ATOM 670 CG1 VAL A 43 6.387 -2.330 4.397 1.00 0.00 C ATOM 671 CG2 VAL A 43 6.411 -0.217 5.731 1.00 0.00 C ATOM 0 H VAL A 43 5.398 1.533 4.162 1.00 0.00 H new ATOM 0 HA VAL A 43 7.398 -0.138 3.132 1.00 0.00 H new ATOM 0 HB VAL A 43 4.803 -0.908 4.510 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.077 -2.868 5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.964 -2.815 3.517 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.475 -2.337 4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.105 -0.792 6.605 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.499 -0.165 5.694 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.002 0.791 5.799 1.00 0.00 H new ATOM 681 N ALA A 44 4.454 -0.365 1.662 1.00 0.00 N ATOM 682 CA ALA A 44 3.785 -0.885 0.474 1.00 0.00 C ATOM 683 C ALA A 44 4.532 -0.479 -0.788 1.00 0.00 C ATOM 684 O ALA A 44 4.756 -1.304 -1.672 1.00 0.00 O ATOM 685 CB ALA A 44 2.343 -0.408 0.405 1.00 0.00 C ATOM 0 H ALA A 44 3.893 0.284 2.215 1.00 0.00 H new ATOM 0 HA ALA A 44 3.784 -1.973 0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.869 -0.811 -0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.803 -0.752 1.287 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.321 0.681 0.368 1.00 0.00 H new ATOM 691 N GLU A 45 4.927 0.787 -0.861 1.00 0.00 N ATOM 692 CA GLU A 45 5.658 1.285 -2.017 1.00 0.00 C ATOM 693 C GLU A 45 7.013 0.599 -2.130 1.00 0.00 C ATOM 694 O GLU A 45 7.321 -0.021 -3.146 1.00 0.00 O ATOM 695 CB GLU A 45 5.855 2.800 -1.922 1.00 0.00 C ATOM 696 CG GLU A 45 6.564 3.393 -3.130 1.00 0.00 C ATOM 697 CD GLU A 45 6.820 4.876 -2.991 1.00 0.00 C ATOM 698 OE1 GLU A 45 5.930 5.672 -3.350 1.00 0.00 O ATOM 699 OE2 GLU A 45 7.914 5.255 -2.525 1.00 0.00 O ATOM 0 H GLU A 45 4.754 1.483 -0.136 1.00 0.00 H new ATOM 0 HA GLU A 45 5.070 1.061 -2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.882 3.279 -1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.429 3.029 -1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.513 2.878 -3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.963 3.215 -4.022 1.00 0.00 H new ATOM 706 N LYS A 46 7.802 0.702 -1.065 1.00 0.00 N ATOM 707 CA LYS A 46 9.165 0.191 -1.054 1.00 0.00 C ATOM 708 C LYS A 46 9.223 -1.299 -1.360 1.00 0.00 C ATOM 709 O LYS A 46 10.019 -1.731 -2.187 1.00 0.00 O ATOM 710 CB LYS A 46 9.812 0.477 0.286 1.00 0.00 C ATOM 711 CG LYS A 46 10.116 1.945 0.470 1.00 0.00 C ATOM 712 CD LYS A 46 10.615 2.236 1.862 1.00 0.00 C ATOM 713 CE LYS A 46 11.884 1.465 2.175 1.00 0.00 C ATOM 714 NZ LYS A 46 12.347 1.702 3.563 1.00 0.00 N ATOM 0 H LYS A 46 7.515 1.140 -0.190 1.00 0.00 H new ATOM 0 HA LYS A 46 9.715 0.704 -1.843 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.152 0.141 1.086 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.735 -0.097 0.372 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.865 2.257 -0.258 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.218 2.531 0.275 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.803 3.305 1.965 1.00 0.00 H new ATOM 0 HD3 LYS A 46 9.843 1.977 2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.707 0.400 2.028 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.668 1.757 1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.216 1.158 3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.541 2.715 3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.610 1.400 4.231 1.00 0.00 H new ATOM 728 N THR A 47 8.374 -2.080 -0.708 1.00 0.00 N ATOM 729 CA THR A 47 8.387 -3.525 -0.893 1.00 0.00 C ATOM 730 C THR A 47 7.942 -3.897 -2.307 1.00 0.00 C ATOM 731 O THR A 47 8.575 -4.726 -2.967 1.00 0.00 O ATOM 732 CB THR A 47 7.489 -4.228 0.138 1.00 0.00 C ATOM 733 OG1 THR A 47 7.787 -3.737 1.450 1.00 0.00 O ATOM 734 CG2 THR A 47 7.697 -5.733 0.104 1.00 0.00 C ATOM 0 H THR A 47 7.672 -1.741 -0.050 1.00 0.00 H new ATOM 0 HA THR A 47 9.413 -3.863 -0.745 1.00 0.00 H new ATOM 0 HB THR A 47 6.450 -4.015 -0.112 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.199 -2.981 1.658 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.050 -6.206 0.843 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.453 -6.112 -0.888 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.738 -5.962 0.333 1.00 0.00 H new ATOM 742 N TYR A 48 6.871 -3.263 -2.778 1.00 0.00 N ATOM 743 CA TYR A 48 6.375 -3.508 -4.127 1.00 0.00 C ATOM 744 C TYR A 48 7.439 -3.144 -5.159 1.00 0.00 C ATOM 745 O TYR A 48 7.744 -3.929 -6.058 1.00 0.00 O ATOM 746 CB TYR A 48 5.098 -2.700 -4.385 1.00 0.00 C ATOM 747 CG TYR A 48 4.592 -2.786 -5.810 1.00 0.00 C ATOM 748 CD1 TYR A 48 4.017 -3.953 -6.297 1.00 0.00 C ATOM 749 CD2 TYR A 48 4.691 -1.698 -6.670 1.00 0.00 C ATOM 750 CE1 TYR A 48 3.558 -4.032 -7.599 1.00 0.00 C ATOM 751 CE2 TYR A 48 4.232 -1.771 -7.973 1.00 0.00 C ATOM 752 CZ TYR A 48 3.667 -2.940 -8.431 1.00 0.00 C ATOM 753 OH TYR A 48 3.208 -3.020 -9.728 1.00 0.00 O ATOM 0 H TYR A 48 6.333 -2.579 -2.247 1.00 0.00 H new ATOM 0 HA TYR A 48 6.143 -4.569 -4.219 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.316 -3.050 -3.711 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.286 -1.655 -4.139 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.927 -4.812 -5.649 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.134 -0.780 -6.314 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.115 -4.948 -7.962 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.316 -0.916 -8.627 1.00 0.00 H new ATOM 0 HH TYR A 48 2.331 -3.458 -9.738 1.00 0.00 H new ATOM 763 N GLU A 49 8.011 -1.955 -5.004 1.00 0.00 N ATOM 764 CA GLU A 49 9.020 -1.455 -5.924 1.00 0.00 C ATOM 765 C GLU A 49 10.300 -2.277 -5.868 1.00 0.00 C ATOM 766 O GLU A 49 10.871 -2.587 -6.902 1.00 0.00 O ATOM 767 CB GLU A 49 9.316 0.017 -5.637 1.00 0.00 C ATOM 768 CG GLU A 49 8.479 0.973 -6.471 1.00 0.00 C ATOM 769 CD GLU A 49 8.800 0.902 -7.955 1.00 0.00 C ATOM 770 OE1 GLU A 49 8.397 -0.078 -8.616 1.00 0.00 O ATOM 771 OE2 GLU A 49 9.454 1.834 -8.469 1.00 0.00 O ATOM 0 H GLU A 49 7.788 -1.316 -4.241 1.00 0.00 H new ATOM 0 HA GLU A 49 8.619 -1.548 -6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.138 0.217 -4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.372 0.211 -5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.423 0.748 -6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.641 1.992 -6.118 1.00 0.00 H new ATOM 778 N ALA A 50 10.742 -2.643 -4.670 1.00 0.00 N ATOM 779 CA ALA A 50 11.977 -3.410 -4.511 1.00 0.00 C ATOM 780 C ALA A 50 11.883 -4.772 -5.185 1.00 0.00 C ATOM 781 O ALA A 50 12.805 -5.187 -5.889 1.00 0.00 O ATOM 782 CB ALA A 50 12.321 -3.569 -3.039 1.00 0.00 C ATOM 0 H ALA A 50 10.266 -2.423 -3.795 1.00 0.00 H new ATOM 0 HA ALA A 50 12.775 -2.853 -5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 50 13.243 -4.142 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.455 -2.586 -2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.512 -4.093 -2.531 1.00 0.00 H new ATOM 788 N TYR A 51 10.769 -5.463 -4.977 1.00 0.00 N ATOM 789 CA TYR A 51 10.569 -6.763 -5.600 1.00 0.00 C ATOM 790 C TYR A 51 10.455 -6.600 -7.113 1.00 0.00 C ATOM 791 O TYR A 51 10.886 -7.463 -7.879 1.00 0.00 O ATOM 792 CB TYR A 51 9.325 -7.444 -5.033 1.00 0.00 C ATOM 793 CG TYR A 51 9.586 -8.845 -4.528 1.00 0.00 C ATOM 794 CD1 TYR A 51 10.111 -9.060 -3.259 1.00 0.00 C ATOM 795 CD2 TYR A 51 9.318 -9.951 -5.322 1.00 0.00 C ATOM 796 CE1 TYR A 51 10.358 -10.338 -2.796 1.00 0.00 C ATOM 797 CE2 TYR A 51 9.560 -11.233 -4.866 1.00 0.00 C ATOM 798 CZ TYR A 51 10.082 -11.421 -3.603 1.00 0.00 C ATOM 799 OH TYR A 51 10.327 -12.699 -3.148 1.00 0.00 O ATOM 0 H TYR A 51 9.998 -5.148 -4.388 1.00 0.00 H new ATOM 0 HA TYR A 51 11.428 -7.397 -5.380 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.929 -6.839 -4.217 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.556 -7.481 -5.805 1.00 0.00 H new ATOM 0 HD1 TYR A 51 10.329 -8.214 -2.624 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.913 -9.808 -6.313 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.765 -10.488 -1.807 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.342 -12.083 -5.495 1.00 0.00 H new ATOM 0 HH TYR A 51 10.076 -13.346 -3.840 1.00 0.00 H new ATOM 809 N ARG A 52 9.890 -5.474 -7.533 1.00 0.00 N ATOM 810 CA ARG A 52 9.805 -5.144 -8.946 1.00 0.00 C ATOM 811 C ARG A 52 11.183 -4.808 -9.510 1.00 0.00 C ATOM 812 O ARG A 52 11.521 -5.221 -10.607 1.00 0.00 O ATOM 813 CB ARG A 52 8.858 -3.968 -9.183 1.00 0.00 C ATOM 814 CG ARG A 52 8.963 -3.422 -10.593 1.00 0.00 C ATOM 815 CD ARG A 52 8.041 -2.245 -10.831 1.00 0.00 C ATOM 816 NE ARG A 52 8.308 -1.626 -12.126 1.00 0.00 N ATOM 817 CZ ARG A 52 8.657 -0.350 -12.282 1.00 0.00 C ATOM 818 NH1 ARG A 52 8.729 0.463 -11.231 1.00 0.00 N ATOM 819 NH2 ARG A 52 8.946 0.116 -13.492 1.00 0.00 N ATOM 0 H ARG A 52 9.484 -4.774 -6.912 1.00 0.00 H new ATOM 0 HA ARG A 52 9.412 -6.021 -9.461 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.833 -4.286 -8.994 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.082 -3.174 -8.470 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.992 -3.118 -10.785 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.727 -4.214 -11.304 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.004 -2.577 -10.789 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.173 -1.509 -10.038 1.00 0.00 H new ATOM 0 HE ARG A 52 8.222 -2.205 -12.961 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.516 0.110 -10.298 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.997 1.439 -11.359 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.901 -0.503 -14.301 1.00 0.00 H new ATOM 0 HH22 ARG A 52 9.213 1.093 -13.612 1.00 0.00 H new ATOM 833 N GLN A 53 11.963 -4.041 -8.761 1.00 0.00 N ATOM 834 CA GLN A 53 13.322 -3.686 -9.173 1.00 0.00 C ATOM 835 C GLN A 53 14.171 -4.938 -9.353 1.00 0.00 C ATOM 836 O GLN A 53 15.074 -4.972 -10.190 1.00 0.00 O ATOM 837 CB GLN A 53 13.992 -2.749 -8.160 1.00 0.00 C ATOM 838 CG GLN A 53 13.358 -1.364 -8.060 1.00 0.00 C ATOM 839 CD GLN A 53 13.038 -0.746 -9.410 1.00 0.00 C ATOM 840 OE1 GLN A 53 13.885 -0.107 -10.038 1.00 0.00 O ATOM 841 NE2 GLN A 53 11.798 -0.895 -9.845 1.00 0.00 N ATOM 0 H GLN A 53 11.681 -3.650 -7.862 1.00 0.00 H new ATOM 0 HA GLN A 53 13.246 -3.162 -10.126 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.964 -3.219 -7.177 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.042 -2.635 -8.429 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.441 -1.434 -7.475 1.00 0.00 H new ATOM 0 HG3 GLN A 53 14.033 -0.702 -7.517 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.126 -1.431 -9.296 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.514 -0.474 -10.729 1.00 0.00 H new ATOM 850 N LEU A 54 13.885 -5.961 -8.559 1.00 0.00 N ATOM 851 CA LEU A 54 14.529 -7.258 -8.734 1.00 0.00 C ATOM 852 C LEU A 54 14.147 -7.855 -10.092 1.00 0.00 C ATOM 853 O LEU A 54 14.966 -8.480 -10.765 1.00 0.00 O ATOM 854 CB LEU A 54 14.138 -8.209 -7.599 1.00 0.00 C ATOM 855 CG LEU A 54 14.893 -9.539 -7.570 1.00 0.00 C ATOM 856 CD1 LEU A 54 16.391 -9.301 -7.457 1.00 0.00 C ATOM 857 CD2 LEU A 54 14.406 -10.398 -6.412 1.00 0.00 C ATOM 0 H LEU A 54 13.215 -5.920 -7.791 1.00 0.00 H new ATOM 0 HA LEU A 54 15.610 -7.119 -8.705 1.00 0.00 H new ATOM 0 HB2 LEU A 54 14.297 -7.699 -6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.071 -8.418 -7.674 1.00 0.00 H new ATOM 0 HG LEU A 54 14.697 -10.067 -8.503 1.00 0.00 H new ATOM 0 HD11 LEU A 54 16.911 -10.259 -7.438 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.733 -8.720 -8.313 1.00 0.00 H new ATOM 0 HD13 LEU A 54 16.604 -8.754 -6.539 1.00 0.00 H new ATOM 0 HD21 LEU A 54 14.952 -11.341 -6.404 1.00 0.00 H new ATOM 0 HD22 LEU A 54 14.576 -9.872 -5.472 1.00 0.00 H new ATOM 0 HD23 LEU A 54 13.341 -10.597 -6.529 1.00 0.00 H new ATOM 869 N ASP A 55 12.901 -7.641 -10.494 1.00 0.00 N ATOM 870 CA ASP A 55 12.430 -8.047 -11.817 1.00 0.00 C ATOM 871 C ASP A 55 13.038 -7.158 -12.896 1.00 0.00 C ATOM 872 O ASP A 55 13.382 -7.631 -13.980 1.00 0.00 O ATOM 873 CB ASP A 55 10.904 -7.982 -11.881 1.00 0.00 C ATOM 874 CG ASP A 55 10.375 -8.157 -13.290 1.00 0.00 C ATOM 875 OD1 ASP A 55 10.486 -9.274 -13.838 1.00 0.00 O ATOM 876 OD2 ASP A 55 9.853 -7.178 -13.862 1.00 0.00 O ATOM 0 H ASP A 55 12.192 -7.185 -9.920 1.00 0.00 H new ATOM 0 HA ASP A 55 12.746 -9.075 -11.994 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.483 -8.756 -11.239 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.567 -7.023 -11.486 1.00 0.00 H new ATOM 881 N GLU A 56 13.171 -5.874 -12.588 1.00 0.00 N ATOM 882 CA GLU A 56 13.866 -4.932 -13.458 1.00 0.00 C ATOM 883 C GLU A 56 15.275 -5.438 -13.745 1.00 0.00 C ATOM 884 O GLU A 56 15.773 -5.339 -14.868 1.00 0.00 O ATOM 885 CB GLU A 56 13.937 -3.554 -12.796 1.00 0.00 C ATOM 886 CG GLU A 56 12.586 -2.900 -12.568 1.00 0.00 C ATOM 887 CD GLU A 56 11.982 -2.343 -13.837 1.00 0.00 C ATOM 888 OE1 GLU A 56 12.449 -1.275 -14.291 1.00 0.00 O ATOM 889 OE2 GLU A 56 11.041 -2.956 -14.377 1.00 0.00 O ATOM 0 H GLU A 56 12.803 -5.457 -11.733 1.00 0.00 H new ATOM 0 HA GLU A 56 13.315 -4.846 -14.395 1.00 0.00 H new ATOM 0 HB2 GLU A 56 14.447 -3.650 -11.838 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.546 -2.897 -13.417 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.902 -3.631 -12.136 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.695 -2.096 -11.840 1.00 0.00 H new ATOM 896 N PHE A 57 15.906 -5.987 -12.713 1.00 0.00 N ATOM 897 CA PHE A 57 17.216 -6.602 -12.847 1.00 0.00 C ATOM 898 C PHE A 57 17.146 -7.778 -13.817 1.00 0.00 C ATOM 899 O PHE A 57 18.009 -7.933 -14.682 1.00 0.00 O ATOM 900 CB PHE A 57 17.724 -7.071 -11.477 1.00 0.00 C ATOM 901 CG PHE A 57 19.084 -7.708 -11.513 1.00 0.00 C ATOM 902 CD1 PHE A 57 20.225 -6.938 -11.367 1.00 0.00 C ATOM 903 CD2 PHE A 57 19.223 -9.078 -11.695 1.00 0.00 C ATOM 904 CE1 PHE A 57 21.477 -7.519 -11.398 1.00 0.00 C ATOM 905 CE2 PHE A 57 20.472 -9.663 -11.727 1.00 0.00 C ATOM 906 CZ PHE A 57 21.601 -8.883 -11.580 1.00 0.00 C ATOM 0 H PHE A 57 15.525 -6.017 -11.767 1.00 0.00 H new ATOM 0 HA PHE A 57 17.913 -5.863 -13.242 1.00 0.00 H new ATOM 0 HB2 PHE A 57 17.752 -6.217 -10.800 1.00 0.00 H new ATOM 0 HB3 PHE A 57 17.012 -7.784 -11.062 1.00 0.00 H new ATOM 0 HD1 PHE A 57 20.135 -5.871 -11.227 1.00 0.00 H new ATOM 0 HD2 PHE A 57 18.343 -9.693 -11.813 1.00 0.00 H new ATOM 0 HE1 PHE A 57 22.359 -6.907 -11.280 1.00 0.00 H new ATOM 0 HE2 PHE A 57 20.566 -10.730 -11.867 1.00 0.00 H new ATOM 0 HZ PHE A 57 22.580 -9.338 -11.607 1.00 0.00 H new ATOM 916 N ARG A 58 16.103 -8.591 -13.676 1.00 0.00 N ATOM 917 CA ARG A 58 15.894 -9.732 -14.548 1.00 0.00 C ATOM 918 C ARG A 58 15.739 -9.275 -15.997 1.00 0.00 C ATOM 919 O ARG A 58 16.339 -9.852 -16.904 1.00 0.00 O ATOM 920 CB ARG A 58 14.658 -10.517 -14.102 1.00 0.00 C ATOM 921 CG ARG A 58 14.757 -11.074 -12.690 1.00 0.00 C ATOM 922 CD ARG A 58 13.649 -12.079 -12.402 1.00 0.00 C ATOM 923 NE ARG A 58 12.318 -11.547 -12.711 1.00 0.00 N ATOM 924 CZ ARG A 58 11.184 -12.245 -12.599 1.00 0.00 C ATOM 925 NH1 ARG A 58 11.200 -13.499 -12.149 1.00 0.00 N ATOM 926 NH2 ARG A 58 10.037 -11.681 -12.950 1.00 0.00 N ATOM 0 H ARG A 58 15.387 -8.475 -12.959 1.00 0.00 H new ATOM 0 HA ARG A 58 16.765 -10.384 -14.484 1.00 0.00 H new ATOM 0 HB2 ARG A 58 13.785 -9.867 -14.165 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.493 -11.341 -14.796 1.00 0.00 H new ATOM 0 HG2 ARG A 58 15.727 -11.553 -12.555 1.00 0.00 H new ATOM 0 HG3 ARG A 58 14.702 -10.256 -11.971 1.00 0.00 H new ATOM 0 HD2 ARG A 58 13.821 -12.983 -12.987 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.687 -12.367 -11.351 1.00 0.00 H new ATOM 0 HE ARG A 58 12.253 -10.581 -13.032 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.084 -13.935 -11.886 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.329 -14.023 -12.067 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.026 -10.724 -13.301 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.165 -12.204 -12.869 1.00 0.00 H new ATOM 940 N LYS A 59 14.946 -8.220 -16.199 1.00 0.00 N ATOM 941 CA LYS A 59 14.771 -7.627 -17.523 1.00 0.00 C ATOM 942 C LYS A 59 16.106 -7.157 -18.081 1.00 0.00 C ATOM 943 O LYS A 59 16.482 -7.507 -19.200 1.00 0.00 O ATOM 944 CB LYS A 59 13.810 -6.432 -17.468 1.00 0.00 C ATOM 945 CG LYS A 59 12.383 -6.743 -17.890 1.00 0.00 C ATOM 946 CD LYS A 59 11.630 -7.543 -16.843 1.00 0.00 C ATOM 947 CE LYS A 59 10.173 -7.719 -17.241 1.00 0.00 C ATOM 948 NZ LYS A 59 9.379 -8.379 -16.176 1.00 0.00 N ATOM 0 H LYS A 59 14.415 -7.760 -15.460 1.00 0.00 H new ATOM 0 HA LYS A 59 14.352 -8.396 -18.172 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.796 -6.041 -16.451 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.199 -5.641 -18.108 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.852 -5.810 -18.081 1.00 0.00 H new ATOM 0 HG3 LYS A 59 12.397 -7.299 -18.827 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.098 -8.520 -16.719 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.690 -7.036 -15.880 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.739 -6.745 -17.465 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.116 -8.311 -18.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.482 -8.722 -16.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.916 -9.181 -15.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.182 -7.696 -15.416 1.00 0.00 H new ATOM 962 N SER A 60 16.820 -6.374 -17.282 1.00 0.00 N ATOM 963 CA SER A 60 18.070 -5.767 -17.715 1.00 0.00 C ATOM 964 C SER A 60 19.122 -6.824 -18.043 1.00 0.00 C ATOM 965 O SER A 60 19.730 -6.799 -19.112 1.00 0.00 O ATOM 966 CB SER A 60 18.592 -4.825 -16.625 1.00 0.00 C ATOM 967 OG SER A 60 17.600 -3.879 -16.253 1.00 0.00 O ATOM 0 H SER A 60 16.552 -6.144 -16.325 1.00 0.00 H new ATOM 0 HA SER A 60 17.874 -5.200 -18.625 1.00 0.00 H new ATOM 0 HB2 SER A 60 18.893 -5.404 -15.752 1.00 0.00 H new ATOM 0 HB3 SER A 60 19.480 -4.304 -16.984 1.00 0.00 H new ATOM 0 HG SER A 60 16.926 -4.315 -15.691 1.00 0.00 H new ATOM 973 N THR A 61 19.309 -7.763 -17.131 1.00 0.00 N ATOM 974 CA THR A 61 20.345 -8.777 -17.269 1.00 0.00 C ATOM 975 C THR A 61 20.085 -9.689 -18.464 1.00 0.00 C ATOM 976 O THR A 61 20.989 -9.958 -19.257 1.00 0.00 O ATOM 977 CB THR A 61 20.456 -9.626 -15.990 1.00 0.00 C ATOM 978 OG1 THR A 61 20.608 -8.758 -14.864 1.00 0.00 O ATOM 979 CG2 THR A 61 21.642 -10.579 -16.064 1.00 0.00 C ATOM 0 H THR A 61 18.753 -7.846 -16.280 1.00 0.00 H new ATOM 0 HA THR A 61 21.285 -8.251 -17.434 1.00 0.00 H new ATOM 0 HB THR A 61 19.549 -10.221 -15.887 1.00 0.00 H new ATOM 0 HG1 THR A 61 19.740 -8.365 -14.634 1.00 0.00 H new ATOM 0 HG21 THR A 61 21.695 -11.166 -15.147 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.519 -11.248 -16.916 1.00 0.00 H new ATOM 0 HG23 THR A 61 22.562 -10.006 -16.182 1.00 0.00 H new ATOM 1204 N ALA B 5 -28.600 16.340 7.286 1.00 0.00 N ATOM 1205 CA ALA B 5 -27.982 15.169 7.882 1.00 0.00 C ATOM 1206 C ALA B 5 -28.102 13.956 6.969 1.00 0.00 C ATOM 1207 O ALA B 5 -27.373 12.981 7.128 1.00 0.00 O ATOM 1208 CB ALA B 5 -28.604 14.877 9.238 1.00 0.00 C ATOM 0 HA ALA B 5 -26.921 15.380 8.019 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -28.131 13.997 9.673 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -28.456 15.732 9.898 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -29.671 14.693 9.117 1.00 0.00 H new ATOM 1214 N GLU B 6 -29.022 14.024 6.017 1.00 0.00 N ATOM 1215 CA GLU B 6 -29.277 12.910 5.109 1.00 0.00 C ATOM 1216 C GLU B 6 -28.029 12.566 4.302 1.00 0.00 C ATOM 1217 O GLU B 6 -27.620 11.405 4.232 1.00 0.00 O ATOM 1218 CB GLU B 6 -30.425 13.250 4.156 1.00 0.00 C ATOM 1219 CG GLU B 6 -31.647 13.838 4.847 1.00 0.00 C ATOM 1220 CD GLU B 6 -32.154 12.975 5.984 1.00 0.00 C ATOM 1221 OE1 GLU B 6 -32.693 11.883 5.714 1.00 0.00 O ATOM 1222 OE2 GLU B 6 -32.028 13.398 7.153 1.00 0.00 O ATOM 0 H GLU B 6 -29.608 14.842 5.851 1.00 0.00 H new ATOM 0 HA GLU B 6 -29.553 12.045 5.712 1.00 0.00 H new ATOM 0 HB2 GLU B 6 -30.066 13.958 3.409 1.00 0.00 H new ATOM 0 HB3 GLU B 6 -30.721 12.347 3.623 1.00 0.00 H new ATOM 0 HG2 GLU B 6 -31.400 14.828 5.231 1.00 0.00 H new ATOM 0 HG3 GLU B 6 -32.444 13.970 4.115 1.00 0.00 H new ATOM 1229 N GLU B 7 -27.427 13.586 3.703 1.00 0.00 N ATOM 1230 CA GLU B 7 -26.225 13.409 2.897 1.00 0.00 C ATOM 1231 C GLU B 7 -25.057 12.994 3.777 1.00 0.00 C ATOM 1232 O GLU B 7 -24.209 12.192 3.380 1.00 0.00 O ATOM 1233 CB GLU B 7 -25.889 14.715 2.178 1.00 0.00 C ATOM 1234 CG GLU B 7 -24.929 14.547 1.012 1.00 0.00 C ATOM 1235 CD GLU B 7 -25.520 13.718 -0.107 1.00 0.00 C ATOM 1236 OE1 GLU B 7 -25.606 12.481 0.042 1.00 0.00 O ATOM 1237 OE2 GLU B 7 -25.909 14.298 -1.140 1.00 0.00 O ATOM 0 H GLU B 7 -27.754 14.550 3.761 1.00 0.00 H new ATOM 0 HA GLU B 7 -26.407 12.626 2.161 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -26.812 15.166 1.814 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -25.456 15.412 2.895 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -24.654 15.529 0.627 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -24.012 14.075 1.365 1.00 0.00 H new ATOM 1244 N LEU B 8 -25.035 13.540 4.982 1.00 0.00 N ATOM 1245 CA LEU B 8 -23.996 13.257 5.943 1.00 0.00 C ATOM 1246 C LEU B 8 -24.063 11.797 6.377 1.00 0.00 C ATOM 1247 O LEU B 8 -23.060 11.085 6.373 1.00 0.00 O ATOM 1248 CB LEU B 8 -24.177 14.183 7.145 1.00 0.00 C ATOM 1249 CG LEU B 8 -23.321 13.851 8.352 1.00 0.00 C ATOM 1250 CD1 LEU B 8 -21.853 14.119 8.067 1.00 0.00 C ATOM 1251 CD2 LEU B 8 -23.791 14.635 9.566 1.00 0.00 C ATOM 0 H LEU B 8 -25.743 14.194 5.317 1.00 0.00 H new ATOM 0 HA LEU B 8 -23.018 13.429 5.494 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -23.956 15.204 6.833 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -25.224 14.161 7.446 1.00 0.00 H new ATOM 0 HG LEU B 8 -23.429 12.788 8.567 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -21.260 13.873 8.948 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -21.527 13.505 7.228 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -21.717 15.172 7.820 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -23.167 14.386 10.424 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -23.716 15.703 9.361 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -24.828 14.379 9.785 1.00 0.00 H new ATOM 1263 N LYS B 9 -25.262 11.362 6.724 1.00 0.00 N ATOM 1264 CA LYS B 9 -25.499 10.005 7.194 1.00 0.00 C ATOM 1265 C LYS B 9 -25.217 8.994 6.090 1.00 0.00 C ATOM 1266 O LYS B 9 -24.652 7.930 6.343 1.00 0.00 O ATOM 1267 CB LYS B 9 -26.949 9.878 7.662 1.00 0.00 C ATOM 1268 CG LYS B 9 -27.213 8.705 8.592 1.00 0.00 C ATOM 1269 CD LYS B 9 -26.406 8.825 9.875 1.00 0.00 C ATOM 1270 CE LYS B 9 -27.056 8.062 11.018 1.00 0.00 C ATOM 1271 NZ LYS B 9 -28.363 8.659 11.398 1.00 0.00 N ATOM 0 H LYS B 9 -26.102 11.940 6.688 1.00 0.00 H new ATOM 0 HA LYS B 9 -24.826 9.797 8.026 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -27.235 10.799 8.170 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -27.592 9.783 6.787 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -28.275 8.660 8.831 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -26.960 7.773 8.086 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -25.398 8.444 9.709 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -26.308 9.876 10.147 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -27.201 7.022 10.726 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -26.390 8.061 11.881 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -28.585 8.410 12.383 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -28.312 9.694 11.305 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -29.108 8.292 10.772 1.00 0.00 H new ATOM 1285 N ALA B 10 -25.614 9.332 4.870 1.00 0.00 N ATOM 1286 CA ALA B 10 -25.383 8.465 3.721 1.00 0.00 C ATOM 1287 C ALA B 10 -23.892 8.338 3.434 1.00 0.00 C ATOM 1288 O ALA B 10 -23.388 7.248 3.161 1.00 0.00 O ATOM 1289 CB ALA B 10 -26.119 8.996 2.499 1.00 0.00 C ATOM 0 H ALA B 10 -26.099 10.202 4.650 1.00 0.00 H new ATOM 0 HA ALA B 10 -25.771 7.474 3.955 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -25.936 8.338 1.650 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -27.189 9.033 2.706 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -25.760 9.998 2.265 1.00 0.00 H new ATOM 1295 N LYS B 11 -23.187 9.460 3.516 1.00 0.00 N ATOM 1296 CA LYS B 11 -21.753 9.477 3.251 1.00 0.00 C ATOM 1297 C LYS B 11 -20.994 8.752 4.361 1.00 0.00 C ATOM 1298 O LYS B 11 -20.140 7.909 4.089 1.00 0.00 O ATOM 1299 CB LYS B 11 -21.249 10.916 3.130 1.00 0.00 C ATOM 1300 CG LYS B 11 -19.847 11.036 2.546 1.00 0.00 C ATOM 1301 CD LYS B 11 -19.821 10.685 1.065 1.00 0.00 C ATOM 1302 CE LYS B 11 -18.420 10.813 0.483 1.00 0.00 C ATOM 1303 NZ LYS B 11 -18.414 10.634 -0.995 1.00 0.00 N ATOM 0 H LYS B 11 -23.583 10.367 3.763 1.00 0.00 H new ATOM 0 HA LYS B 11 -21.575 8.960 2.308 1.00 0.00 H new ATOM 0 HB2 LYS B 11 -21.941 11.481 2.505 1.00 0.00 H new ATOM 0 HB3 LYS B 11 -21.261 11.378 4.117 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -19.481 12.053 2.685 1.00 0.00 H new ATOM 0 HG3 LYS B 11 -19.169 10.376 3.088 1.00 0.00 H new ATOM 0 HD2 LYS B 11 -20.182 9.666 0.926 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -20.502 11.341 0.523 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -18.012 11.793 0.732 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -17.767 10.070 0.941 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -17.442 10.728 -1.352 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -18.780 9.690 -1.232 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 -19.016 11.359 -1.435 1.00 0.00 H new ATOM 1317 N LEU B 12 -21.321 9.081 5.607 1.00 0.00 N ATOM 1318 CA LEU B 12 -20.684 8.457 6.763 1.00 0.00 C ATOM 1319 C LEU B 12 -20.881 6.945 6.730 1.00 0.00 C ATOM 1320 O LEU B 12 -19.954 6.183 7.004 1.00 0.00 O ATOM 1321 CB LEU B 12 -21.258 9.035 8.061 1.00 0.00 C ATOM 1322 CG LEU B 12 -20.653 8.479 9.354 1.00 0.00 C ATOM 1323 CD1 LEU B 12 -19.163 8.780 9.429 1.00 0.00 C ATOM 1324 CD2 LEU B 12 -21.375 9.050 10.565 1.00 0.00 C ATOM 0 H LEU B 12 -22.026 9.779 5.843 1.00 0.00 H new ATOM 0 HA LEU B 12 -19.616 8.669 6.725 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -21.118 10.116 8.050 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -22.333 8.853 8.075 1.00 0.00 H new ATOM 0 HG LEU B 12 -20.780 7.396 9.352 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -18.756 8.375 10.356 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -18.656 8.322 8.580 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -19.008 9.859 9.405 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -20.934 8.645 11.476 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -21.280 10.136 10.567 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -22.430 8.778 10.521 1.00 0.00 H new ATOM 1336 N LYS B 13 -22.094 6.519 6.383 1.00 0.00 N ATOM 1337 CA LYS B 13 -22.407 5.107 6.257 1.00 0.00 C ATOM 1338 C LYS B 13 -21.473 4.438 5.255 1.00 0.00 C ATOM 1339 O LYS B 13 -20.866 3.406 5.545 1.00 0.00 O ATOM 1340 CB LYS B 13 -23.856 4.942 5.802 1.00 0.00 C ATOM 1341 CG LYS B 13 -24.348 3.506 5.840 1.00 0.00 C ATOM 1342 CD LYS B 13 -24.312 2.942 7.250 1.00 0.00 C ATOM 1343 CE LYS B 13 -25.283 3.666 8.167 1.00 0.00 C ATOM 1344 NZ LYS B 13 -25.355 3.035 9.511 1.00 0.00 N ATOM 0 H LYS B 13 -22.878 7.141 6.184 1.00 0.00 H new ATOM 0 HA LYS B 13 -22.273 4.631 7.228 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -24.498 5.554 6.436 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -23.954 5.324 4.786 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -25.366 3.459 5.454 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -23.730 2.891 5.185 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -24.558 1.880 7.224 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -23.302 3.026 7.650 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -24.976 4.707 8.271 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -26.275 3.670 7.715 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -26.028 3.560 10.105 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -25.673 2.049 9.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -24.414 3.054 9.954 1.00 0.00 H new ATOM 1358 N LYS B 14 -21.360 5.046 4.081 1.00 0.00 N ATOM 1359 CA LYS B 14 -20.519 4.530 3.020 1.00 0.00 C ATOM 1360 C LYS B 14 -19.057 4.450 3.456 1.00 0.00 C ATOM 1361 O LYS B 14 -18.413 3.418 3.278 1.00 0.00 O ATOM 1362 CB LYS B 14 -20.656 5.409 1.777 1.00 0.00 C ATOM 1363 CG LYS B 14 -20.020 4.807 0.539 1.00 0.00 C ATOM 1364 CD LYS B 14 -20.515 3.389 0.299 1.00 0.00 C ATOM 1365 CE LYS B 14 -22.012 3.336 0.024 1.00 0.00 C ATOM 1366 NZ LYS B 14 -22.382 4.052 -1.227 1.00 0.00 N ATOM 0 H LYS B 14 -21.849 5.908 3.842 1.00 0.00 H new ATOM 0 HA LYS B 14 -20.849 3.518 2.785 1.00 0.00 H new ATOM 0 HB2 LYS B 14 -21.714 5.588 1.583 1.00 0.00 H new ATOM 0 HB3 LYS B 14 -20.200 6.379 1.975 1.00 0.00 H new ATOM 0 HG2 LYS B 14 -20.249 5.426 -0.328 1.00 0.00 H new ATOM 0 HG3 LYS B 14 -18.936 4.802 0.650 1.00 0.00 H new ATOM 0 HD2 LYS B 14 -19.978 2.957 -0.545 1.00 0.00 H new ATOM 0 HD3 LYS B 14 -20.286 2.775 1.170 1.00 0.00 H new ATOM 0 HE2 LYS B 14 -22.329 2.296 -0.048 1.00 0.00 H new ATOM 0 HE3 LYS B 14 -22.549 3.776 0.864 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 -23.379 3.862 -1.454 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 -22.246 5.075 -1.095 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 -21.780 3.720 -2.008 1.00 0.00 H new ATOM 1380 N LEU B 15 -18.544 5.531 4.034 1.00 0.00 N ATOM 1381 CA LEU B 15 -17.156 5.569 4.495 1.00 0.00 C ATOM 1382 C LEU B 15 -16.904 4.513 5.567 1.00 0.00 C ATOM 1383 O LEU B 15 -15.879 3.827 5.545 1.00 0.00 O ATOM 1384 CB LEU B 15 -16.794 6.957 5.033 1.00 0.00 C ATOM 1385 CG LEU B 15 -16.206 7.932 4.007 1.00 0.00 C ATOM 1386 CD1 LEU B 15 -14.894 7.397 3.455 1.00 0.00 C ATOM 1387 CD2 LEU B 15 -17.188 8.199 2.878 1.00 0.00 C ATOM 0 H LEU B 15 -19.066 6.393 4.195 1.00 0.00 H new ATOM 0 HA LEU B 15 -16.520 5.351 3.637 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -17.690 7.406 5.462 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -16.077 6.837 5.845 1.00 0.00 H new ATOM 0 HG LEU B 15 -16.012 8.877 4.515 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -14.491 8.102 2.728 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -14.182 7.269 4.270 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -15.068 6.436 2.971 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -16.743 8.894 2.166 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -17.424 7.263 2.372 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -18.102 8.632 3.285 1.00 0.00 H new ATOM 1399 N ASN B 16 -17.847 4.379 6.491 1.00 0.00 N ATOM 1400 CA ASN B 16 -17.751 3.383 7.555 1.00 0.00 C ATOM 1401 C ASN B 16 -17.697 1.977 6.953 1.00 0.00 C ATOM 1402 O ASN B 16 -16.800 1.188 7.261 1.00 0.00 O ATOM 1403 CB ASN B 16 -18.952 3.509 8.505 1.00 0.00 C ATOM 1404 CG ASN B 16 -18.794 2.720 9.797 1.00 0.00 C ATOM 1405 OD1 ASN B 16 -18.110 1.697 9.849 1.00 0.00 O ATOM 1406 ND2 ASN B 16 -19.436 3.194 10.857 1.00 0.00 N ATOM 0 H ASN B 16 -18.692 4.950 6.526 1.00 0.00 H new ATOM 0 HA ASN B 16 -16.837 3.557 8.122 1.00 0.00 H new ATOM 0 HB2 ASN B 16 -19.103 4.561 8.748 1.00 0.00 H new ATOM 0 HB3 ASN B 16 -19.850 3.169 7.989 1.00 0.00 H new ATOM 0 HD21 ASN B 16 -19.372 2.708 11.752 1.00 0.00 H new ATOM 0 HD22 ASN B 16 -19.994 4.044 10.777 1.00 0.00 H new ATOM 1413 N ALA B 17 -18.646 1.686 6.069 1.00 0.00 N ATOM 1414 CA ALA B 17 -18.728 0.381 5.421 1.00 0.00 C ATOM 1415 C ALA B 17 -17.491 0.103 4.574 1.00 0.00 C ATOM 1416 O ALA B 17 -16.940 -1.000 4.603 1.00 0.00 O ATOM 1417 CB ALA B 17 -19.986 0.297 4.568 1.00 0.00 C ATOM 0 H ALA B 17 -19.374 2.341 5.783 1.00 0.00 H new ATOM 0 HA ALA B 17 -18.776 -0.380 6.200 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -20.036 -0.681 4.089 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -20.864 0.438 5.199 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -19.960 1.074 3.804 1.00 0.00 H new ATOM 1423 N GLN B 18 -17.055 1.114 3.833 1.00 0.00 N ATOM 1424 CA GLN B 18 -15.894 0.997 2.960 1.00 0.00 C ATOM 1425 C GLN B 18 -14.639 0.675 3.764 1.00 0.00 C ATOM 1426 O GLN B 18 -13.894 -0.243 3.421 1.00 0.00 O ATOM 1427 CB GLN B 18 -15.704 2.293 2.169 1.00 0.00 C ATOM 1428 CG GLN B 18 -14.469 2.307 1.287 1.00 0.00 C ATOM 1429 CD GLN B 18 -14.371 3.572 0.459 1.00 0.00 C ATOM 1430 OE1 GLN B 18 -14.849 3.626 -0.674 1.00 0.00 O ATOM 1431 NE2 GLN B 18 -13.759 4.602 1.025 1.00 0.00 N ATOM 0 H GLN B 18 -17.494 2.035 3.820 1.00 0.00 H new ATOM 0 HA GLN B 18 -16.066 0.177 2.262 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -16.583 2.458 1.547 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -15.647 3.127 2.868 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -13.579 2.212 1.909 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -14.488 1.442 0.624 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -13.377 4.514 1.967 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -13.670 5.483 0.519 1.00 0.00 H new ATOM 1440 N ALA B 19 -14.422 1.418 4.843 1.00 0.00 N ATOM 1441 CA ALA B 19 -13.265 1.198 5.700 1.00 0.00 C ATOM 1442 C ALA B 19 -13.305 -0.194 6.320 1.00 0.00 C ATOM 1443 O ALA B 19 -12.287 -0.878 6.393 1.00 0.00 O ATOM 1444 CB ALA B 19 -13.198 2.262 6.782 1.00 0.00 C ATOM 0 H ALA B 19 -15.032 2.178 5.144 1.00 0.00 H new ATOM 0 HA ALA B 19 -12.367 1.269 5.086 1.00 0.00 H new ATOM 0 HB1 ALA B 19 -12.328 2.084 7.414 1.00 0.00 H new ATOM 0 HB2 ALA B 19 -13.116 3.246 6.320 1.00 0.00 H new ATOM 0 HB3 ALA B 19 -14.102 2.221 7.389 1.00 0.00 H new ATOM 1450 N THR B 20 -14.495 -0.608 6.745 1.00 0.00 N ATOM 1451 CA THR B 20 -14.687 -1.928 7.334 1.00 0.00 C ATOM 1452 C THR B 20 -14.311 -3.031 6.341 1.00 0.00 C ATOM 1453 O THR B 20 -13.659 -4.014 6.704 1.00 0.00 O ATOM 1454 CB THR B 20 -16.151 -2.120 7.786 1.00 0.00 C ATOM 1455 OG1 THR B 20 -16.540 -1.052 8.662 1.00 0.00 O ATOM 1456 CG2 THR B 20 -16.330 -3.449 8.504 1.00 0.00 C ATOM 0 H THR B 20 -15.344 -0.045 6.692 1.00 0.00 H new ATOM 0 HA THR B 20 -14.034 -1.997 8.204 1.00 0.00 H new ATOM 0 HB THR B 20 -16.781 -2.114 6.897 1.00 0.00 H new ATOM 0 HG1 THR B 20 -16.666 -0.231 8.141 1.00 0.00 H new ATOM 0 HG21 THR B 20 -17.370 -3.559 8.812 1.00 0.00 H new ATOM 0 HG22 THR B 20 -16.062 -4.264 7.832 1.00 0.00 H new ATOM 0 HG23 THR B 20 -15.686 -3.477 9.383 1.00 0.00 H new ATOM 1464 N ALA B 21 -14.713 -2.851 5.086 1.00 0.00 N ATOM 1465 CA ALA B 21 -14.432 -3.827 4.042 1.00 0.00 C ATOM 1466 C ALA B 21 -12.943 -3.868 3.714 1.00 0.00 C ATOM 1467 O ALA B 21 -12.337 -4.939 3.685 1.00 0.00 O ATOM 1468 CB ALA B 21 -15.247 -3.513 2.795 1.00 0.00 C ATOM 0 H ALA B 21 -15.236 -2.035 4.768 1.00 0.00 H new ATOM 0 HA ALA B 21 -14.720 -4.812 4.410 1.00 0.00 H new ATOM 0 HB1 ALA B 21 -15.028 -4.250 2.022 1.00 0.00 H new ATOM 0 HB2 ALA B 21 -16.309 -3.546 3.037 1.00 0.00 H new ATOM 0 HB3 ALA B 21 -14.988 -2.518 2.432 1.00 0.00 H new ATOM 1474 N LEU B 22 -12.354 -2.695 3.493 1.00 0.00 N ATOM 1475 CA LEU B 22 -10.943 -2.595 3.130 1.00 0.00 C ATOM 1476 C LEU B 22 -10.042 -3.128 4.241 1.00 0.00 C ATOM 1477 O LEU B 22 -8.989 -3.700 3.971 1.00 0.00 O ATOM 1478 CB LEU B 22 -10.574 -1.144 2.804 1.00 0.00 C ATOM 1479 CG LEU B 22 -11.286 -0.552 1.585 1.00 0.00 C ATOM 1480 CD1 LEU B 22 -10.841 0.883 1.354 1.00 0.00 C ATOM 1481 CD2 LEU B 22 -11.018 -1.398 0.349 1.00 0.00 C ATOM 0 H LEU B 22 -12.834 -1.798 3.559 1.00 0.00 H new ATOM 0 HA LEU B 22 -10.786 -3.210 2.244 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -10.798 -0.524 3.673 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -9.498 -1.087 2.640 1.00 0.00 H new ATOM 0 HG LEU B 22 -12.359 -0.554 1.778 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -11.357 1.288 0.484 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -11.081 1.484 2.231 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -9.765 0.907 1.182 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -11.532 -0.963 -0.508 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -9.946 -1.427 0.153 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -11.384 -2.411 0.515 1.00 0.00 H new ATOM 1493 N LYS B 23 -10.474 -2.945 5.484 1.00 0.00 N ATOM 1494 CA LYS B 23 -9.749 -3.461 6.640 1.00 0.00 C ATOM 1495 C LYS B 23 -9.477 -4.957 6.479 1.00 0.00 C ATOM 1496 O LYS B 23 -8.342 -5.420 6.619 1.00 0.00 O ATOM 1497 CB LYS B 23 -10.565 -3.220 7.912 1.00 0.00 C ATOM 1498 CG LYS B 23 -9.891 -3.712 9.183 1.00 0.00 C ATOM 1499 CD LYS B 23 -10.837 -3.650 10.370 1.00 0.00 C ATOM 1500 CE LYS B 23 -12.028 -4.571 10.167 1.00 0.00 C ATOM 1501 NZ LYS B 23 -13.011 -4.476 11.275 1.00 0.00 N ATOM 0 H LYS B 23 -11.329 -2.440 5.718 1.00 0.00 H new ATOM 0 HA LYS B 23 -8.795 -2.938 6.714 1.00 0.00 H new ATOM 0 HB2 LYS B 23 -10.762 -2.152 8.008 1.00 0.00 H new ATOM 0 HB3 LYS B 23 -11.531 -3.715 7.811 1.00 0.00 H new ATOM 0 HG2 LYS B 23 -9.548 -4.737 9.042 1.00 0.00 H new ATOM 0 HG3 LYS B 23 -9.008 -3.106 9.387 1.00 0.00 H new ATOM 0 HD2 LYS B 23 -10.305 -3.933 11.278 1.00 0.00 H new ATOM 0 HD3 LYS B 23 -11.184 -2.626 10.509 1.00 0.00 H new ATOM 0 HE2 LYS B 23 -12.520 -4.323 9.226 1.00 0.00 H new ATOM 0 HE3 LYS B 23 -11.678 -5.600 10.082 1.00 0.00 H new ATOM 0 HZ1 LYS B 23 -13.805 -5.122 11.091 1.00 0.00 H new ATOM 0 HZ2 LYS B 23 -12.551 -4.738 12.170 1.00 0.00 H new ATOM 0 HZ3 LYS B 23 -13.367 -3.501 11.341 1.00 0.00 H new ATOM 1515 N MET B 24 -10.528 -5.705 6.178 1.00 0.00 N ATOM 1516 CA MET B 24 -10.416 -7.145 6.000 1.00 0.00 C ATOM 1517 C MET B 24 -9.785 -7.472 4.651 1.00 0.00 C ATOM 1518 O MET B 24 -9.019 -8.427 4.526 1.00 0.00 O ATOM 1519 CB MET B 24 -11.795 -7.799 6.111 1.00 0.00 C ATOM 1520 CG MET B 24 -12.478 -7.559 7.450 1.00 0.00 C ATOM 1521 SD MET B 24 -14.133 -8.274 7.527 1.00 0.00 S ATOM 1522 CE MET B 24 -13.756 -10.014 7.310 1.00 0.00 C ATOM 0 H MET B 24 -11.471 -5.337 6.052 1.00 0.00 H new ATOM 0 HA MET B 24 -9.773 -7.541 6.786 1.00 0.00 H new ATOM 0 HB2 MET B 24 -12.433 -7.418 5.314 1.00 0.00 H new ATOM 0 HB3 MET B 24 -11.692 -8.872 5.952 1.00 0.00 H new ATOM 0 HG2 MET B 24 -11.866 -7.983 8.246 1.00 0.00 H new ATOM 0 HG3 MET B 24 -12.541 -6.486 7.634 1.00 0.00 H new ATOM 0 HE1 MET B 24 -14.595 -10.615 7.662 1.00 0.00 H new ATOM 0 HE2 MET B 24 -13.580 -10.219 6.254 1.00 0.00 H new ATOM 0 HE3 MET B 24 -12.863 -10.267 7.882 1.00 0.00 H new ATOM 1532 N ASP B 25 -10.105 -6.658 3.652 1.00 0.00 N ATOM 1533 CA ASP B 25 -9.626 -6.865 2.287 1.00 0.00 C ATOM 1534 C ASP B 25 -8.099 -6.785 2.222 1.00 0.00 C ATOM 1535 O ASP B 25 -7.448 -7.620 1.586 1.00 0.00 O ATOM 1536 CB ASP B 25 -10.255 -5.814 1.363 1.00 0.00 C ATOM 1537 CG ASP B 25 -10.056 -6.108 -0.110 1.00 0.00 C ATOM 1538 OD1 ASP B 25 -9.020 -5.701 -0.670 1.00 0.00 O ATOM 1539 OD2 ASP B 25 -10.952 -6.733 -0.721 1.00 0.00 O ATOM 0 H ASP B 25 -10.702 -5.838 3.763 1.00 0.00 H new ATOM 0 HA ASP B 25 -9.921 -7.862 1.959 1.00 0.00 H new ATOM 0 HB2 ASP B 25 -11.323 -5.751 1.572 1.00 0.00 H new ATOM 0 HB3 ASP B 25 -9.827 -4.838 1.592 1.00 0.00 H new ATOM 1544 N LEU B 26 -7.534 -5.788 2.901 1.00 0.00 N ATOM 1545 CA LEU B 26 -6.090 -5.571 2.901 1.00 0.00 C ATOM 1546 C LEU B 26 -5.357 -6.750 3.543 1.00 0.00 C ATOM 1547 O LEU B 26 -4.406 -7.282 2.967 1.00 0.00 O ATOM 1548 CB LEU B 26 -5.750 -4.257 3.626 1.00 0.00 C ATOM 1549 CG LEU B 26 -4.309 -3.739 3.456 1.00 0.00 C ATOM 1550 CD1 LEU B 26 -4.240 -2.258 3.782 1.00 0.00 C ATOM 1551 CD2 LEU B 26 -3.333 -4.498 4.345 1.00 0.00 C ATOM 0 H LEU B 26 -8.058 -5.115 3.460 1.00 0.00 H new ATOM 0 HA LEU B 26 -5.755 -5.495 1.867 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -6.435 -3.485 3.275 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -5.942 -4.394 4.690 1.00 0.00 H new ATOM 0 HG LEU B 26 -4.024 -3.900 2.416 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -3.216 -1.905 3.658 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -4.898 -1.707 3.110 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -4.556 -2.097 4.813 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -2.327 -4.106 4.198 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -3.622 -4.376 5.389 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -3.351 -5.556 4.085 1.00 0.00 H new ATOM 1563 N HIS B 27 -5.796 -7.166 4.730 1.00 0.00 N ATOM 1564 CA HIS B 27 -5.102 -8.232 5.453 1.00 0.00 C ATOM 1565 C HIS B 27 -5.212 -9.554 4.706 1.00 0.00 C ATOM 1566 O HIS B 27 -4.268 -10.338 4.691 1.00 0.00 O ATOM 1567 CB HIS B 27 -5.634 -8.394 6.880 1.00 0.00 C ATOM 1568 CG HIS B 27 -4.785 -9.301 7.724 1.00 0.00 C ATOM 1569 ND1 HIS B 27 -5.123 -10.604 8.016 1.00 0.00 N ATOM 1570 CD2 HIS B 27 -3.587 -9.085 8.323 1.00 0.00 C ATOM 1571 CE1 HIS B 27 -4.175 -11.147 8.755 1.00 0.00 C ATOM 1572 NE2 HIS B 27 -3.233 -10.248 8.955 1.00 0.00 N ATOM 0 H HIS B 27 -6.616 -6.789 5.206 1.00 0.00 H new ATOM 0 HA HIS B 27 -4.053 -7.944 5.515 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -5.691 -7.414 7.354 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -6.649 -8.789 6.841 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -3.018 -8.167 8.305 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -4.172 -12.159 9.133 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -2.379 -10.394 9.493 1.00 0.00 H new ATOM 1581 N ASP B 28 -6.358 -9.782 4.082 1.00 0.00 N ATOM 1582 CA ASP B 28 -6.571 -10.987 3.285 1.00 0.00 C ATOM 1583 C ASP B 28 -5.567 -11.050 2.138 1.00 0.00 C ATOM 1584 O ASP B 28 -4.987 -12.097 1.863 1.00 0.00 O ATOM 1585 CB ASP B 28 -8.003 -11.013 2.743 1.00 0.00 C ATOM 1586 CG ASP B 28 -8.258 -12.173 1.801 1.00 0.00 C ATOM 1587 OD1 ASP B 28 -8.524 -13.296 2.284 1.00 0.00 O ATOM 1588 OD2 ASP B 28 -8.209 -11.960 0.573 1.00 0.00 O ATOM 0 H ASP B 28 -7.157 -9.149 4.111 1.00 0.00 H new ATOM 0 HA ASP B 28 -6.422 -11.859 3.922 1.00 0.00 H new ATOM 0 HB2 ASP B 28 -8.701 -11.070 3.578 1.00 0.00 H new ATOM 0 HB3 ASP B 28 -8.206 -10.077 2.222 1.00 0.00 H new ATOM 1593 N LEU B 29 -5.345 -9.907 1.494 1.00 0.00 N ATOM 1594 CA LEU B 29 -4.379 -9.814 0.404 1.00 0.00 C ATOM 1595 C LEU B 29 -2.957 -10.041 0.916 1.00 0.00 C ATOM 1596 O LEU B 29 -2.178 -10.778 0.314 1.00 0.00 O ATOM 1597 CB LEU B 29 -4.470 -8.445 -0.268 1.00 0.00 C ATOM 1598 CG LEU B 29 -3.503 -8.229 -1.434 1.00 0.00 C ATOM 1599 CD1 LEU B 29 -3.844 -9.150 -2.597 1.00 0.00 C ATOM 1600 CD2 LEU B 29 -3.526 -6.777 -1.872 1.00 0.00 C ATOM 0 H LEU B 29 -5.822 -9.031 1.709 1.00 0.00 H new ATOM 0 HA LEU B 29 -4.616 -10.590 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -5.488 -8.302 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -4.287 -7.676 0.483 1.00 0.00 H new ATOM 0 HG LEU B 29 -2.495 -8.473 -1.098 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -3.143 -8.979 -3.414 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -3.775 -10.188 -2.271 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -4.858 -8.944 -2.939 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -2.834 -6.636 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -4.533 -6.509 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -3.227 -6.141 -1.039 1.00 0.00 H new ATOM 1612 N ALA B 30 -2.633 -9.407 2.037 1.00 0.00 N ATOM 1613 CA ALA B 30 -1.308 -9.526 2.635 1.00 0.00 C ATOM 1614 C ALA B 30 -1.041 -10.949 3.116 1.00 0.00 C ATOM 1615 O ALA B 30 0.106 -11.387 3.196 1.00 0.00 O ATOM 1616 CB ALA B 30 -1.158 -8.539 3.781 1.00 0.00 C ATOM 0 H ALA B 30 -3.273 -8.803 2.552 1.00 0.00 H new ATOM 0 HA ALA B 30 -0.570 -9.291 1.868 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -0.165 -8.638 4.219 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -1.290 -7.524 3.407 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -1.912 -8.746 4.541 1.00 0.00 H new ATOM 1622 N GLU B 31 -2.108 -11.665 3.437 1.00 0.00 N ATOM 1623 CA GLU B 31 -2.000 -13.042 3.886 1.00 0.00 C ATOM 1624 C GLU B 31 -1.825 -13.971 2.686 1.00 0.00 C ATOM 1625 O GLU B 31 -1.239 -15.051 2.793 1.00 0.00 O ATOM 1626 CB GLU B 31 -3.250 -13.426 4.680 1.00 0.00 C ATOM 1627 CG GLU B 31 -3.087 -14.680 5.518 1.00 0.00 C ATOM 1628 CD GLU B 31 -4.346 -15.037 6.276 1.00 0.00 C ATOM 1629 OE1 GLU B 31 -4.674 -14.335 7.254 1.00 0.00 O ATOM 1630 OE2 GLU B 31 -5.007 -16.029 5.909 1.00 0.00 O ATOM 0 H GLU B 31 -3.064 -11.311 3.394 1.00 0.00 H new ATOM 0 HA GLU B 31 -1.128 -13.142 4.532 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -3.522 -12.597 5.334 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -4.079 -13.570 3.987 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -2.808 -15.512 4.871 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -2.269 -14.537 6.225 1.00 0.00 H new ATOM 1637 N ASP B 32 -2.310 -13.521 1.536 1.00 0.00 N ATOM 1638 CA ASP B 32 -2.254 -14.311 0.311 1.00 0.00 C ATOM 1639 C ASP B 32 -1.074 -13.867 -0.555 1.00 0.00 C ATOM 1640 O ASP B 32 -1.090 -14.021 -1.772 1.00 0.00 O ATOM 1641 CB ASP B 32 -3.569 -14.183 -0.465 1.00 0.00 C ATOM 1642 CG ASP B 32 -3.763 -15.310 -1.464 1.00 0.00 C ATOM 1643 OD1 ASP B 32 -3.697 -16.492 -1.056 1.00 0.00 O ATOM 1644 OD2 ASP B 32 -3.990 -15.027 -2.658 1.00 0.00 O ATOM 0 H ASP B 32 -2.749 -12.607 1.425 1.00 0.00 H new ATOM 0 HA ASP B 32 -2.111 -15.358 0.577 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -4.403 -14.176 0.237 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -3.586 -13.228 -0.990 1.00 0.00 H new ATOM 1649 N LEU B 33 -0.065 -13.297 0.106 1.00 0.00 N ATOM 1650 CA LEU B 33 1.198 -12.872 -0.521 1.00 0.00 C ATOM 1651 C LEU B 33 1.775 -13.904 -1.515 1.00 0.00 C ATOM 1652 O LEU B 33 1.302 -15.039 -1.588 1.00 0.00 O ATOM 1653 CB LEU B 33 2.212 -12.462 0.546 1.00 0.00 C ATOM 1654 CG LEU B 33 2.187 -10.971 0.888 1.00 0.00 C ATOM 1655 CD1 LEU B 33 3.302 -10.623 1.862 1.00 0.00 C ATOM 1656 CD2 LEU B 33 2.297 -10.132 -0.385 1.00 0.00 C ATOM 0 H LEU B 33 -0.098 -13.113 1.109 1.00 0.00 H new ATOM 0 HA LEU B 33 0.970 -11.998 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU B 33 2.021 -13.036 1.453 1.00 0.00 H new ATOM 0 HB3 LEU B 33 3.212 -12.729 0.204 1.00 0.00 H new ATOM 0 HG LEU B 33 1.236 -10.743 1.369 1.00 0.00 H new ATOM 0 HD11 LEU B 33 3.266 -9.558 2.091 1.00 0.00 H new ATOM 0 HD12 LEU B 33 3.175 -11.197 2.780 1.00 0.00 H new ATOM 0 HD13 LEU B 33 4.266 -10.865 1.413 1.00 0.00 H new ATOM 0 HD21 LEU B 33 2.278 -9.073 -0.126 1.00 0.00 H new ATOM 0 HD22 LEU B 33 3.232 -10.364 -0.894 1.00 0.00 H new ATOM 0 HD23 LEU B 33 1.459 -10.359 -1.044 1.00 0.00 H new ATOM 1668 N PRO B 34 2.877 -13.557 -2.241 1.00 0.00 N ATOM 1669 CA PRO B 34 3.164 -13.960 -3.605 1.00 0.00 C ATOM 1670 C PRO B 34 1.987 -14.399 -4.491 1.00 0.00 C ATOM 1671 O PRO B 34 2.177 -15.072 -5.505 1.00 0.00 O ATOM 1672 CB PRO B 34 4.229 -14.991 -3.304 1.00 0.00 C ATOM 1673 CG PRO B 34 5.046 -14.268 -2.238 1.00 0.00 C ATOM 1674 CD PRO B 34 4.158 -13.124 -1.719 1.00 0.00 C ATOM 0 HA PRO B 34 3.469 -13.149 -4.267 1.00 0.00 H new ATOM 0 HB2 PRO B 34 3.805 -15.925 -2.935 1.00 0.00 H new ATOM 0 HB3 PRO B 34 4.825 -15.237 -4.183 1.00 0.00 H new ATOM 0 HG2 PRO B 34 5.319 -14.947 -1.430 1.00 0.00 H new ATOM 0 HG3 PRO B 34 5.975 -13.881 -2.656 1.00 0.00 H new ATOM 0 HD2 PRO B 34 4.163 -13.050 -0.632 1.00 0.00 H new ATOM 0 HD3 PRO B 34 4.460 -12.151 -2.106 1.00 0.00 H new ATOM 1682 N THR B 35 0.784 -14.005 -4.113 1.00 0.00 N ATOM 1683 CA THR B 35 -0.337 -13.964 -5.028 1.00 0.00 C ATOM 1684 C THR B 35 -0.988 -12.590 -4.928 1.00 0.00 C ATOM 1685 O THR B 35 -1.196 -12.075 -3.832 1.00 0.00 O ATOM 1686 CB THR B 35 -1.382 -15.044 -4.720 1.00 0.00 C ATOM 1687 OG1 THR B 35 -0.882 -15.927 -3.709 1.00 0.00 O ATOM 1688 CG2 THR B 35 -1.725 -15.835 -5.973 1.00 0.00 C ATOM 0 H THR B 35 0.559 -13.705 -3.164 1.00 0.00 H new ATOM 0 HA THR B 35 0.037 -14.154 -6.034 1.00 0.00 H new ATOM 0 HB THR B 35 -2.289 -14.557 -4.361 1.00 0.00 H new ATOM 0 HG1 THR B 35 -0.851 -15.456 -2.850 1.00 0.00 H new ATOM 0 HG21 THR B 35 -2.468 -16.595 -5.731 1.00 0.00 H new ATOM 0 HG22 THR B 35 -2.128 -15.162 -6.729 1.00 0.00 H new ATOM 0 HG23 THR B 35 -0.825 -16.316 -6.357 1.00 0.00 H new ATOM 1696 N GLY B 36 -1.291 -11.992 -6.067 1.00 0.00 N ATOM 1697 CA GLY B 36 -1.851 -10.649 -6.079 1.00 0.00 C ATOM 1698 C GLY B 36 -0.909 -9.599 -5.502 1.00 0.00 C ATOM 1699 O GLY B 36 -1.356 -8.589 -4.964 1.00 0.00 O ATOM 0 H GLY B 36 -1.161 -12.409 -6.989 1.00 0.00 H new ATOM 0 HA2 GLY B 36 -2.103 -10.377 -7.104 1.00 0.00 H new ATOM 0 HA3 GLY B 36 -2.781 -10.645 -5.510 1.00 0.00 H new ATOM 1703 N TRP B 37 0.394 -9.834 -5.615 1.00 0.00 N ATOM 1704 CA TRP B 37 1.401 -8.884 -5.145 1.00 0.00 C ATOM 1705 C TRP B 37 1.234 -7.521 -5.829 1.00 0.00 C ATOM 1706 O TRP B 37 1.424 -6.477 -5.209 1.00 0.00 O ATOM 1707 CB TRP B 37 2.802 -9.459 -5.403 1.00 0.00 C ATOM 1708 CG TRP B 37 3.938 -8.580 -4.958 1.00 0.00 C ATOM 1709 CD1 TRP B 37 4.427 -7.477 -5.599 1.00 0.00 C ATOM 1710 CD2 TRP B 37 4.749 -8.752 -3.791 1.00 0.00 C ATOM 1711 NE1 TRP B 37 5.478 -6.944 -4.893 1.00 0.00 N ATOM 1712 CE2 TRP B 37 5.694 -7.709 -3.778 1.00 0.00 C ATOM 1713 CE3 TRP B 37 4.761 -9.680 -2.751 1.00 0.00 C ATOM 1714 CZ2 TRP B 37 6.638 -7.571 -2.766 1.00 0.00 C ATOM 1715 CZ3 TRP B 37 5.700 -9.546 -1.748 1.00 0.00 C ATOM 1716 CH2 TRP B 37 6.627 -8.498 -1.761 1.00 0.00 C ATOM 0 H TRP B 37 0.782 -10.681 -6.031 1.00 0.00 H new ATOM 0 HA TRP B 37 1.270 -8.729 -4.074 1.00 0.00 H new ATOM 0 HB2 TRP B 37 2.884 -10.420 -4.894 1.00 0.00 H new ATOM 0 HB3 TRP B 37 2.908 -9.653 -6.470 1.00 0.00 H new ATOM 0 HD1 TRP B 37 4.043 -7.081 -6.527 1.00 0.00 H new ATOM 0 HE1 TRP B 37 6.010 -6.115 -5.156 1.00 0.00 H new ATOM 0 HE3 TRP B 37 4.047 -10.490 -2.730 1.00 0.00 H new ATOM 0 HZ2 TRP B 37 7.353 -6.762 -2.774 1.00 0.00 H new ATOM 0 HZ3 TRP B 37 5.719 -10.262 -0.940 1.00 0.00 H new ATOM 0 HH2 TRP B 37 7.348 -8.420 -0.961 1.00 0.00 H new ATOM 1727 N ASN B 38 0.865 -7.535 -7.104 1.00 0.00 N ATOM 1728 CA ASN B 38 0.644 -6.296 -7.852 1.00 0.00 C ATOM 1729 C ASN B 38 -0.538 -5.513 -7.278 1.00 0.00 C ATOM 1730 O ASN B 38 -0.636 -4.298 -7.439 1.00 0.00 O ATOM 1731 CB ASN B 38 0.391 -6.604 -9.330 1.00 0.00 C ATOM 1732 CG ASN B 38 0.251 -5.353 -10.178 1.00 0.00 C ATOM 1733 OD1 ASN B 38 0.903 -4.340 -9.931 1.00 0.00 O ATOM 1734 ND2 ASN B 38 -0.612 -5.411 -11.178 1.00 0.00 N ATOM 0 H ASN B 38 0.712 -8.387 -7.644 1.00 0.00 H new ATOM 0 HA ASN B 38 1.542 -5.685 -7.761 1.00 0.00 H new ATOM 0 HB2 ASN B 38 1.212 -7.208 -9.716 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -0.516 -7.202 -9.421 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -0.755 -4.597 -11.776 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -1.135 -6.270 -11.352 1.00 0.00 H new ATOM 1741 N ARG B 39 -1.417 -6.216 -6.579 1.00 0.00 N ATOM 1742 CA ARG B 39 -2.628 -5.622 -6.024 1.00 0.00 C ATOM 1743 C ARG B 39 -2.311 -4.831 -4.749 1.00 0.00 C ATOM 1744 O ARG B 39 -3.106 -4.000 -4.308 1.00 0.00 O ATOM 1745 CB ARG B 39 -3.634 -6.740 -5.724 1.00 0.00 C ATOM 1746 CG ARG B 39 -5.029 -6.272 -5.347 1.00 0.00 C ATOM 1747 CD ARG B 39 -5.751 -5.646 -6.524 1.00 0.00 C ATOM 1748 NE ARG B 39 -7.191 -5.547 -6.290 1.00 0.00 N ATOM 1749 CZ ARG B 39 -8.073 -5.219 -7.233 1.00 0.00 C ATOM 1750 NH1 ARG B 39 -7.659 -4.939 -8.460 1.00 0.00 N ATOM 1751 NH2 ARG B 39 -9.368 -5.169 -6.951 1.00 0.00 N ATOM 0 H ARG B 39 -1.313 -7.211 -6.380 1.00 0.00 H new ATOM 0 HA ARG B 39 -3.055 -4.927 -6.748 1.00 0.00 H new ATOM 0 HB2 ARG B 39 -3.709 -7.384 -6.600 1.00 0.00 H new ATOM 0 HB3 ARG B 39 -3.241 -7.351 -4.912 1.00 0.00 H new ATOM 0 HG2 ARG B 39 -5.607 -7.117 -4.974 1.00 0.00 H new ATOM 0 HG3 ARG B 39 -4.962 -5.548 -4.535 1.00 0.00 H new ATOM 0 HD2 ARG B 39 -5.345 -4.652 -6.712 1.00 0.00 H new ATOM 0 HD3 ARG B 39 -5.569 -6.240 -7.420 1.00 0.00 H new ATOM 0 HE ARG B 39 -7.540 -5.740 -5.351 1.00 0.00 H new ATOM 0 HH11 ARG B 39 -6.664 -4.975 -8.683 1.00 0.00 H new ATOM 0 HH12 ARG B 39 -8.335 -4.688 -9.181 1.00 0.00 H new ATOM 0 HH21 ARG B 39 -9.693 -5.382 -6.008 1.00 0.00 H new ATOM 0 HH22 ARG B 39 -10.039 -4.917 -7.677 1.00 0.00 H new ATOM 1765 N ILE B 40 -1.130 -5.086 -4.186 1.00 0.00 N ATOM 1766 CA ILE B 40 -0.714 -4.492 -2.914 1.00 0.00 C ATOM 1767 C ILE B 40 -0.821 -2.964 -2.921 1.00 0.00 C ATOM 1768 O ILE B 40 -1.448 -2.386 -2.037 1.00 0.00 O ATOM 1769 CB ILE B 40 0.733 -4.913 -2.564 1.00 0.00 C ATOM 1770 CG1 ILE B 40 0.764 -6.389 -2.153 1.00 0.00 C ATOM 1771 CG2 ILE B 40 1.324 -4.031 -1.465 1.00 0.00 C ATOM 1772 CD1 ILE B 40 2.156 -6.896 -1.858 1.00 0.00 C ATOM 0 H ILE B 40 -0.435 -5.709 -4.598 1.00 0.00 H new ATOM 0 HA ILE B 40 -1.398 -4.868 -2.153 1.00 0.00 H new ATOM 0 HB ILE B 40 1.350 -4.780 -3.453 1.00 0.00 H new ATOM 0 HG12 ILE B 40 0.140 -6.527 -1.270 1.00 0.00 H new ATOM 0 HG13 ILE B 40 0.327 -6.991 -2.950 1.00 0.00 H new ATOM 0 HG21 ILE B 40 2.341 -4.356 -1.245 1.00 0.00 H new ATOM 0 HG22 ILE B 40 1.339 -2.994 -1.799 1.00 0.00 H new ATOM 0 HG23 ILE B 40 0.714 -4.113 -0.565 1.00 0.00 H new ATOM 0 HD11 ILE B 40 2.108 -7.947 -1.573 1.00 0.00 H new ATOM 0 HD12 ILE B 40 2.778 -6.789 -2.747 1.00 0.00 H new ATOM 0 HD13 ILE B 40 2.588 -6.318 -1.041 1.00 0.00 H new ATOM 1784 N MET B 41 -0.234 -2.323 -3.929 1.00 0.00 N ATOM 1785 CA MET B 41 -0.195 -0.860 -3.998 1.00 0.00 C ATOM 1786 C MET B 41 -1.601 -0.264 -3.987 1.00 0.00 C ATOM 1787 O MET B 41 -1.914 0.603 -3.169 1.00 0.00 O ATOM 1788 CB MET B 41 0.547 -0.410 -5.263 1.00 0.00 C ATOM 1789 CG MET B 41 0.561 1.100 -5.463 1.00 0.00 C ATOM 1790 SD MET B 41 1.546 1.963 -4.223 1.00 0.00 S ATOM 1791 CE MET B 41 3.193 1.403 -4.653 1.00 0.00 C ATOM 0 H MET B 41 0.222 -2.792 -4.711 1.00 0.00 H new ATOM 0 HA MET B 41 0.335 -0.500 -3.117 1.00 0.00 H new ATOM 0 HB2 MET B 41 1.575 -0.771 -5.218 1.00 0.00 H new ATOM 0 HB3 MET B 41 0.083 -0.878 -6.131 1.00 0.00 H new ATOM 0 HG2 MET B 41 0.954 1.327 -6.454 1.00 0.00 H new ATOM 0 HG3 MET B 41 -0.462 1.475 -5.433 1.00 0.00 H new ATOM 0 HE1 MET B 41 3.923 2.152 -4.347 1.00 0.00 H new ATOM 0 HE2 MET B 41 3.402 0.463 -4.143 1.00 0.00 H new ATOM 0 HE3 MET B 41 3.256 1.253 -5.731 1.00 0.00 H new ATOM 1801 N GLU B 42 -2.436 -0.748 -4.893 1.00 0.00 N ATOM 1802 CA GLU B 42 -3.795 -0.252 -5.056 1.00 0.00 C ATOM 1803 C GLU B 42 -4.589 -0.360 -3.757 1.00 0.00 C ATOM 1804 O GLU B 42 -5.142 0.631 -3.271 1.00 0.00 O ATOM 1805 CB GLU B 42 -4.486 -1.049 -6.161 1.00 0.00 C ATOM 1806 CG GLU B 42 -5.770 -0.429 -6.669 1.00 0.00 C ATOM 1807 CD GLU B 42 -6.435 -1.282 -7.725 1.00 0.00 C ATOM 1808 OE1 GLU B 42 -6.026 -1.206 -8.904 1.00 0.00 O ATOM 1809 OE2 GLU B 42 -7.373 -2.030 -7.379 1.00 0.00 O ATOM 0 H GLU B 42 -2.190 -1.498 -5.539 1.00 0.00 H new ATOM 0 HA GLU B 42 -3.751 0.803 -5.327 1.00 0.00 H new ATOM 0 HB2 GLU B 42 -3.796 -1.162 -6.997 1.00 0.00 H new ATOM 0 HB3 GLU B 42 -4.703 -2.050 -5.789 1.00 0.00 H new ATOM 0 HG2 GLU B 42 -6.457 -0.284 -5.835 1.00 0.00 H new ATOM 0 HG3 GLU B 42 -5.557 0.557 -7.081 1.00 0.00 H new ATOM 1816 N VAL B 43 -4.629 -1.562 -3.196 1.00 0.00 N ATOM 1817 CA VAL B 43 -5.376 -1.808 -1.969 1.00 0.00 C ATOM 1818 C VAL B 43 -4.815 -0.986 -0.814 1.00 0.00 C ATOM 1819 O VAL B 43 -5.564 -0.329 -0.089 1.00 0.00 O ATOM 1820 CB VAL B 43 -5.364 -3.304 -1.587 1.00 0.00 C ATOM 1821 CG1 VAL B 43 -6.136 -3.543 -0.300 1.00 0.00 C ATOM 1822 CG2 VAL B 43 -5.941 -4.143 -2.715 1.00 0.00 C ATOM 0 H VAL B 43 -4.153 -2.382 -3.571 1.00 0.00 H new ATOM 0 HA VAL B 43 -6.406 -1.505 -2.158 1.00 0.00 H new ATOM 0 HB VAL B 43 -4.329 -3.604 -1.422 1.00 0.00 H new ATOM 0 HG11 VAL B 43 -6.112 -4.604 -0.053 1.00 0.00 H new ATOM 0 HG12 VAL B 43 -5.680 -2.972 0.509 1.00 0.00 H new ATOM 0 HG13 VAL B 43 -7.170 -3.224 -0.431 1.00 0.00 H new ATOM 0 HG21 VAL B 43 -5.926 -5.195 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL B 43 -6.968 -3.835 -2.909 1.00 0.00 H new ATOM 0 HG23 VAL B 43 -5.344 -4.002 -3.616 1.00 0.00 H new ATOM 1832 N ALA B 44 -3.496 -1.001 -0.663 1.00 0.00 N ATOM 1833 CA ALA B 44 -2.846 -0.300 0.439 1.00 0.00 C ATOM 1834 C ALA B 44 -3.108 1.200 0.380 1.00 0.00 C ATOM 1835 O ALA B 44 -3.362 1.831 1.407 1.00 0.00 O ATOM 1836 CB ALA B 44 -1.351 -0.573 0.443 1.00 0.00 C ATOM 0 H ALA B 44 -2.856 -1.490 -1.289 1.00 0.00 H new ATOM 0 HA ALA B 44 -3.275 -0.680 1.366 1.00 0.00 H new ATOM 0 HB1 ALA B 44 -0.886 -0.041 1.273 1.00 0.00 H new ATOM 0 HB2 ALA B 44 -1.177 -1.643 0.555 1.00 0.00 H new ATOM 0 HB3 ALA B 44 -0.916 -0.231 -0.496 1.00 0.00 H new ATOM 1842 N GLU B 45 -3.055 1.766 -0.821 1.00 0.00 N ATOM 1843 CA GLU B 45 -3.271 3.196 -0.989 1.00 0.00 C ATOM 1844 C GLU B 45 -4.696 3.576 -0.618 1.00 0.00 C ATOM 1845 O GLU B 45 -4.917 4.456 0.217 1.00 0.00 O ATOM 1846 CB GLU B 45 -2.986 3.620 -2.432 1.00 0.00 C ATOM 1847 CG GLU B 45 -3.030 5.125 -2.632 1.00 0.00 C ATOM 1848 CD GLU B 45 -2.983 5.531 -4.088 1.00 0.00 C ATOM 1849 OE1 GLU B 45 -4.054 5.603 -4.723 1.00 0.00 O ATOM 1850 OE2 GLU B 45 -1.873 5.791 -4.601 1.00 0.00 O ATOM 0 H GLU B 45 -2.866 1.260 -1.686 1.00 0.00 H new ATOM 0 HA GLU B 45 -2.583 3.716 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -2.004 3.249 -2.726 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -3.715 3.150 -3.093 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -3.940 5.519 -2.180 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -2.190 5.580 -2.107 1.00 0.00 H new ATOM 1857 N LYS B 46 -5.659 2.894 -1.223 1.00 0.00 N ATOM 1858 CA LYS B 46 -7.062 3.229 -1.026 1.00 0.00 C ATOM 1859 C LYS B 46 -7.528 2.945 0.397 1.00 0.00 C ATOM 1860 O LYS B 46 -8.379 3.657 0.921 1.00 0.00 O ATOM 1861 CB LYS B 46 -7.935 2.498 -2.035 1.00 0.00 C ATOM 1862 CG LYS B 46 -7.865 3.125 -3.414 1.00 0.00 C ATOM 1863 CD LYS B 46 -8.796 2.444 -4.393 1.00 0.00 C ATOM 1864 CE LYS B 46 -8.323 1.043 -4.725 1.00 0.00 C ATOM 1865 NZ LYS B 46 -9.234 0.363 -5.680 1.00 0.00 N ATOM 0 H LYS B 46 -5.495 2.108 -1.852 1.00 0.00 H new ATOM 0 HA LYS B 46 -7.163 4.302 -1.188 1.00 0.00 H new ATOM 0 HB2 LYS B 46 -7.622 1.456 -2.095 1.00 0.00 H new ATOM 0 HB3 LYS B 46 -8.968 2.501 -1.688 1.00 0.00 H new ATOM 0 HG2 LYS B 46 -8.121 4.182 -3.345 1.00 0.00 H new ATOM 0 HG3 LYS B 46 -6.842 3.068 -3.787 1.00 0.00 H new ATOM 0 HD2 LYS B 46 -9.800 2.400 -3.972 1.00 0.00 H new ATOM 0 HD3 LYS B 46 -8.860 3.034 -5.307 1.00 0.00 H new ATOM 0 HE2 LYS B 46 -7.320 1.090 -5.150 1.00 0.00 H new ATOM 0 HE3 LYS B 46 -8.254 0.456 -3.809 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 -8.876 -0.592 -5.881 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 -10.185 0.296 -5.264 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 -9.280 0.909 -6.564 1.00 0.00 H new ATOM 1879 N THR B 47 -6.975 1.913 1.024 1.00 0.00 N ATOM 1880 CA THR B 47 -7.317 1.613 2.409 1.00 0.00 C ATOM 1881 C THR B 47 -6.813 2.721 3.331 1.00 0.00 C ATOM 1882 O THR B 47 -7.535 3.181 4.218 1.00 0.00 O ATOM 1883 CB THR B 47 -6.741 0.256 2.862 1.00 0.00 C ATOM 1884 OG1 THR B 47 -7.183 -0.778 1.973 1.00 0.00 O ATOM 1885 CG2 THR B 47 -7.179 -0.080 4.281 1.00 0.00 C ATOM 0 H THR B 47 -6.297 1.278 0.603 1.00 0.00 H new ATOM 0 HA THR B 47 -8.404 1.553 2.470 1.00 0.00 H new ATOM 0 HB THR B 47 -5.653 0.326 2.842 1.00 0.00 H new ATOM 0 HG1 THR B 47 -6.722 -0.689 1.113 1.00 0.00 H new ATOM 0 HG21 THR B 47 -6.758 -1.042 4.574 1.00 0.00 H new ATOM 0 HG22 THR B 47 -6.826 0.693 4.963 1.00 0.00 H new ATOM 0 HG23 THR B 47 -8.267 -0.132 4.323 1.00 0.00 H new ATOM 1893 N TYR B 48 -5.580 3.163 3.099 1.00 0.00 N ATOM 1894 CA TYR B 48 -5.008 4.259 3.869 1.00 0.00 C ATOM 1895 C TYR B 48 -5.836 5.524 3.672 1.00 0.00 C ATOM 1896 O TYR B 48 -6.263 6.156 4.638 1.00 0.00 O ATOM 1897 CB TYR B 48 -3.553 4.508 3.453 1.00 0.00 C ATOM 1898 CG TYR B 48 -2.918 5.704 4.135 1.00 0.00 C ATOM 1899 CD1 TYR B 48 -2.443 5.617 5.438 1.00 0.00 C ATOM 1900 CD2 TYR B 48 -2.809 6.928 3.480 1.00 0.00 C ATOM 1901 CE1 TYR B 48 -1.873 6.709 6.064 1.00 0.00 C ATOM 1902 CE2 TYR B 48 -2.242 8.024 4.102 1.00 0.00 C ATOM 1903 CZ TYR B 48 -1.780 7.911 5.394 1.00 0.00 C ATOM 1904 OH TYR B 48 -1.217 8.999 6.018 1.00 0.00 O ATOM 0 H TYR B 48 -4.961 2.779 2.385 1.00 0.00 H new ATOM 0 HA TYR B 48 -5.023 3.987 4.924 1.00 0.00 H new ATOM 0 HB2 TYR B 48 -2.964 3.619 3.677 1.00 0.00 H new ATOM 0 HB3 TYR B 48 -3.513 4.654 2.373 1.00 0.00 H new ATOM 0 HD1 TYR B 48 -2.521 4.680 5.970 1.00 0.00 H new ATOM 0 HD2 TYR B 48 -3.174 7.022 2.468 1.00 0.00 H new ATOM 0 HE1 TYR B 48 -1.502 6.622 7.074 1.00 0.00 H new ATOM 0 HE2 TYR B 48 -2.162 8.965 3.577 1.00 0.00 H new ATOM 0 HH TYR B 48 -1.227 9.767 5.409 1.00 0.00 H new ATOM 1914 N GLU B 49 -6.073 5.874 2.412 1.00 0.00 N ATOM 1915 CA GLU B 49 -6.845 7.059 2.075 1.00 0.00 C ATOM 1916 C GLU B 49 -8.259 7.002 2.654 1.00 0.00 C ATOM 1917 O GLU B 49 -8.786 8.017 3.096 1.00 0.00 O ATOM 1918 CB GLU B 49 -6.903 7.225 0.560 1.00 0.00 C ATOM 1919 CG GLU B 49 -5.598 7.717 -0.050 1.00 0.00 C ATOM 1920 CD GLU B 49 -5.281 9.150 0.329 1.00 0.00 C ATOM 1921 OE1 GLU B 49 -5.913 10.070 -0.238 1.00 0.00 O ATOM 1922 OE2 GLU B 49 -4.389 9.372 1.175 1.00 0.00 O ATOM 0 H GLU B 49 -5.738 5.348 1.605 1.00 0.00 H new ATOM 0 HA GLU B 49 -6.345 7.920 2.518 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -7.168 6.269 0.108 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -7.699 7.927 0.310 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -4.783 7.070 0.275 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -5.656 7.636 -1.135 1.00 0.00 H new ATOM 1929 N ALA B 50 -8.862 5.815 2.658 1.00 0.00 N ATOM 1930 CA ALA B 50 -10.217 5.645 3.182 1.00 0.00 C ATOM 1931 C ALA B 50 -10.276 5.916 4.680 1.00 0.00 C ATOM 1932 O ALA B 50 -11.139 6.659 5.143 1.00 0.00 O ATOM 1933 CB ALA B 50 -10.738 4.247 2.881 1.00 0.00 C ATOM 0 H ALA B 50 -8.436 4.958 2.305 1.00 0.00 H new ATOM 0 HA ALA B 50 -10.854 6.375 2.683 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -11.747 4.141 3.279 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -10.755 4.089 1.803 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -10.085 3.508 3.345 1.00 0.00 H new ATOM 1939 N TYR B 51 -9.362 5.317 5.436 1.00 0.00 N ATOM 1940 CA TYR B 51 -9.301 5.552 6.874 1.00 0.00 C ATOM 1941 C TYR B 51 -8.915 6.996 7.164 1.00 0.00 C ATOM 1942 O TYR B 51 -9.392 7.598 8.127 1.00 0.00 O ATOM 1943 CB TYR B 51 -8.323 4.586 7.544 1.00 0.00 C ATOM 1944 CG TYR B 51 -8.965 3.284 7.962 1.00 0.00 C ATOM 1945 CD1 TYR B 51 -9.533 3.154 9.223 1.00 0.00 C ATOM 1946 CD2 TYR B 51 -9.024 2.198 7.098 1.00 0.00 C ATOM 1947 CE1 TYR B 51 -10.140 1.978 9.615 1.00 0.00 C ATOM 1948 CE2 TYR B 51 -9.627 1.014 7.483 1.00 0.00 C ATOM 1949 CZ TYR B 51 -10.186 0.910 8.743 1.00 0.00 C ATOM 1950 OH TYR B 51 -10.792 -0.264 9.135 1.00 0.00 O ATOM 0 H TYR B 51 -8.658 4.670 5.080 1.00 0.00 H new ATOM 0 HA TYR B 51 -10.292 5.371 7.290 1.00 0.00 H new ATOM 0 HB2 TYR B 51 -7.503 4.375 6.858 1.00 0.00 H new ATOM 0 HB3 TYR B 51 -7.889 5.068 8.420 1.00 0.00 H new ATOM 0 HD1 TYR B 51 -9.499 3.988 9.909 1.00 0.00 H new ATOM 0 HD2 TYR B 51 -8.593 2.279 6.111 1.00 0.00 H new ATOM 0 HE1 TYR B 51 -10.577 1.894 10.599 1.00 0.00 H new ATOM 0 HE2 TYR B 51 -9.661 0.176 6.803 1.00 0.00 H new ATOM 0 HH TYR B 51 -11.696 -0.307 8.760 1.00 0.00 H new ATOM 1960 N ARG B 52 -8.052 7.541 6.320 1.00 0.00 N ATOM 1961 CA ARG B 52 -7.692 8.949 6.384 1.00 0.00 C ATOM 1962 C ARG B 52 -8.926 9.822 6.183 1.00 0.00 C ATOM 1963 O ARG B 52 -9.222 10.697 6.997 1.00 0.00 O ATOM 1964 CB ARG B 52 -6.650 9.265 5.313 1.00 0.00 C ATOM 1965 CG ARG B 52 -6.426 10.747 5.093 1.00 0.00 C ATOM 1966 CD ARG B 52 -5.554 10.993 3.879 1.00 0.00 C ATOM 1967 NE ARG B 52 -5.486 12.410 3.540 1.00 0.00 N ATOM 1968 CZ ARG B 52 -4.644 12.915 2.646 1.00 0.00 C ATOM 1969 NH1 ARG B 52 -3.843 12.110 1.956 1.00 0.00 N ATOM 1970 NH2 ARG B 52 -4.631 14.218 2.410 1.00 0.00 N ATOM 0 H ARG B 52 -7.584 7.023 5.576 1.00 0.00 H new ATOM 0 HA ARG B 52 -7.272 9.160 7.367 1.00 0.00 H new ATOM 0 HB2 ARG B 52 -5.704 8.802 5.593 1.00 0.00 H new ATOM 0 HB3 ARG B 52 -6.961 8.811 4.372 1.00 0.00 H new ATOM 0 HG2 ARG B 52 -7.386 11.247 4.963 1.00 0.00 H new ATOM 0 HG3 ARG B 52 -5.957 11.182 5.976 1.00 0.00 H new ATOM 0 HD2 ARG B 52 -4.549 10.616 4.071 1.00 0.00 H new ATOM 0 HD3 ARG B 52 -5.947 10.434 3.030 1.00 0.00 H new ATOM 0 HE ARG B 52 -6.122 13.050 4.017 1.00 0.00 H new ATOM 0 HH11 ARG B 52 -3.874 11.103 2.113 1.00 0.00 H new ATOM 0 HH12 ARG B 52 -3.197 12.499 1.270 1.00 0.00 H new ATOM 0 HH21 ARG B 52 -5.268 14.834 2.915 1.00 0.00 H new ATOM 0 HH22 ARG B 52 -3.984 14.605 1.723 1.00 0.00 H new ATOM 1984 N GLN B 53 -9.649 9.562 5.099 1.00 0.00 N ATOM 1985 CA GLN B 53 -10.859 10.306 4.776 1.00 0.00 C ATOM 1986 C GLN B 53 -11.926 10.117 5.843 1.00 0.00 C ATOM 1987 O GLN B 53 -12.724 11.012 6.081 1.00 0.00 O ATOM 1988 CB GLN B 53 -11.401 9.879 3.412 1.00 0.00 C ATOM 1989 CG GLN B 53 -10.629 10.465 2.240 1.00 0.00 C ATOM 1990 CD GLN B 53 -11.266 10.139 0.904 1.00 0.00 C ATOM 1991 OE1 GLN B 53 -10.940 9.135 0.269 1.00 0.00 O ATOM 1992 NE2 GLN B 53 -12.194 10.979 0.477 1.00 0.00 N ATOM 0 H GLN B 53 -9.414 8.834 4.424 1.00 0.00 H new ATOM 0 HA GLN B 53 -10.598 11.364 4.740 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -11.377 8.791 3.345 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -12.446 10.180 3.335 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -10.567 11.547 2.355 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -9.608 10.084 2.255 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -12.434 11.799 1.034 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -12.669 10.807 -0.409 1.00 0.00 H new ATOM 2001 N LEU B 54 -11.934 8.955 6.480 1.00 0.00 N ATOM 2002 CA LEU B 54 -12.866 8.685 7.564 1.00 0.00 C ATOM 2003 C LEU B 54 -12.619 9.648 8.726 1.00 0.00 C ATOM 2004 O LEU B 54 -13.551 10.263 9.248 1.00 0.00 O ATOM 2005 CB LEU B 54 -12.722 7.232 8.031 1.00 0.00 C ATOM 2006 CG LEU B 54 -13.710 6.783 9.108 1.00 0.00 C ATOM 2007 CD1 LEU B 54 -15.139 6.861 8.597 1.00 0.00 C ATOM 2008 CD2 LEU B 54 -13.385 5.371 9.568 1.00 0.00 C ATOM 0 H LEU B 54 -11.304 8.183 6.264 1.00 0.00 H new ATOM 0 HA LEU B 54 -13.883 8.835 7.202 1.00 0.00 H new ATOM 0 HB2 LEU B 54 -12.834 6.578 7.166 1.00 0.00 H new ATOM 0 HB3 LEU B 54 -11.710 7.090 8.410 1.00 0.00 H new ATOM 0 HG LEU B 54 -13.617 7.457 9.960 1.00 0.00 H new ATOM 0 HD11 LEU B 54 -15.824 6.537 9.381 1.00 0.00 H new ATOM 0 HD12 LEU B 54 -15.369 7.889 8.316 1.00 0.00 H new ATOM 0 HD13 LEU B 54 -15.250 6.214 7.727 1.00 0.00 H new ATOM 0 HD21 LEU B 54 -14.097 5.065 10.335 1.00 0.00 H new ATOM 0 HD22 LEU B 54 -13.449 4.688 8.721 1.00 0.00 H new ATOM 0 HD23 LEU B 54 -12.376 5.345 9.979 1.00 0.00 H new ATOM 2020 N ASP B 55 -11.354 9.795 9.103 1.00 0.00 N ATOM 2021 CA ASP B 55 -10.974 10.716 10.171 1.00 0.00 C ATOM 2022 C ASP B 55 -11.187 12.161 9.731 1.00 0.00 C ATOM 2023 O ASP B 55 -11.715 12.975 10.487 1.00 0.00 O ATOM 2024 CB ASP B 55 -9.513 10.495 10.575 1.00 0.00 C ATOM 2025 CG ASP B 55 -9.025 11.505 11.600 1.00 0.00 C ATOM 2026 OD1 ASP B 55 -9.343 11.352 12.798 1.00 0.00 O ATOM 2027 OD2 ASP B 55 -8.311 12.453 11.213 1.00 0.00 O ATOM 0 H ASP B 55 -10.573 9.289 8.686 1.00 0.00 H new ATOM 0 HA ASP B 55 -11.608 10.519 11.036 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -9.401 9.490 10.981 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -8.883 10.552 9.687 1.00 0.00 H new ATOM 2032 N GLU B 56 -10.801 12.470 8.496 1.00 0.00 N ATOM 2033 CA GLU B 56 -10.970 13.819 7.954 1.00 0.00 C ATOM 2034 C GLU B 56 -12.449 14.171 7.790 1.00 0.00 C ATOM 2035 O GLU B 56 -12.830 15.340 7.862 1.00 0.00 O ATOM 2036 CB GLU B 56 -10.226 13.967 6.622 1.00 0.00 C ATOM 2037 CG GLU B 56 -8.720 14.129 6.791 1.00 0.00 C ATOM 2038 CD GLU B 56 -8.027 14.616 5.534 1.00 0.00 C ATOM 2039 OE1 GLU B 56 -8.294 15.759 5.104 1.00 0.00 O ATOM 2040 OE2 GLU B 56 -7.199 13.871 4.976 1.00 0.00 O ATOM 0 H GLU B 56 -10.370 11.808 7.851 1.00 0.00 H new ATOM 0 HA GLU B 56 -10.538 14.520 8.668 1.00 0.00 H new ATOM 0 HB2 GLU B 56 -10.424 13.092 6.003 1.00 0.00 H new ATOM 0 HB3 GLU B 56 -10.620 14.831 6.087 1.00 0.00 H new ATOM 0 HG2 GLU B 56 -8.525 14.832 7.601 1.00 0.00 H new ATOM 0 HG3 GLU B 56 -8.289 13.173 7.088 1.00 0.00 H new ATOM 2047 N PHE B 57 -13.277 13.160 7.572 1.00 0.00 N ATOM 2048 CA PHE B 57 -14.719 13.357 7.497 1.00 0.00 C ATOM 2049 C PHE B 57 -15.268 13.616 8.893 1.00 0.00 C ATOM 2050 O PHE B 57 -16.114 14.488 9.089 1.00 0.00 O ATOM 2051 CB PHE B 57 -15.401 12.134 6.872 1.00 0.00 C ATOM 2052 CG PHE B 57 -16.852 12.344 6.538 1.00 0.00 C ATOM 2053 CD1 PHE B 57 -17.216 13.080 5.423 1.00 0.00 C ATOM 2054 CD2 PHE B 57 -17.847 11.795 7.331 1.00 0.00 C ATOM 2055 CE1 PHE B 57 -18.546 13.266 5.104 1.00 0.00 C ATOM 2056 CE2 PHE B 57 -19.179 11.981 7.017 1.00 0.00 C ATOM 2057 CZ PHE B 57 -19.529 12.717 5.902 1.00 0.00 C ATOM 0 H PHE B 57 -12.976 12.194 7.444 1.00 0.00 H new ATOM 0 HA PHE B 57 -14.927 14.219 6.863 1.00 0.00 H new ATOM 0 HB2 PHE B 57 -14.866 11.858 5.963 1.00 0.00 H new ATOM 0 HB3 PHE B 57 -15.316 11.293 7.560 1.00 0.00 H new ATOM 0 HD1 PHE B 57 -16.451 13.513 4.796 1.00 0.00 H new ATOM 0 HD2 PHE B 57 -17.578 11.216 8.202 1.00 0.00 H new ATOM 0 HE1 PHE B 57 -18.817 13.841 4.231 1.00 0.00 H new ATOM 0 HE2 PHE B 57 -19.947 11.551 7.643 1.00 0.00 H new ATOM 0 HZ PHE B 57 -20.570 12.863 5.655 1.00 0.00 H new ATOM 2067 N ARG B 58 -14.761 12.865 9.862 1.00 0.00 N ATOM 2068 CA ARG B 58 -15.137 13.046 11.250 1.00 0.00 C ATOM 2069 C ARG B 58 -14.701 14.419 11.754 1.00 0.00 C ATOM 2070 O ARG B 58 -15.420 15.066 12.515 1.00 0.00 O ATOM 2071 CB ARG B 58 -14.534 11.936 12.106 1.00 0.00 C ATOM 2072 CG ARG B 58 -15.322 10.635 12.050 1.00 0.00 C ATOM 2073 CD ARG B 58 -14.837 9.639 13.089 1.00 0.00 C ATOM 2074 NE ARG B 58 -14.856 10.209 14.436 1.00 0.00 N ATOM 2075 CZ ARG B 58 -15.520 9.689 15.466 1.00 0.00 C ATOM 2076 NH1 ARG B 58 -16.279 8.616 15.312 1.00 0.00 N ATOM 2077 NH2 ARG B 58 -15.439 10.267 16.656 1.00 0.00 N ATOM 0 H ARG B 58 -14.083 12.119 9.706 1.00 0.00 H new ATOM 0 HA ARG B 58 -16.223 12.991 11.327 1.00 0.00 H new ATOM 0 HB2 ARG B 58 -13.512 11.748 11.777 1.00 0.00 H new ATOM 0 HB3 ARG B 58 -14.478 12.274 13.141 1.00 0.00 H new ATOM 0 HG2 ARG B 58 -16.380 10.843 12.211 1.00 0.00 H new ATOM 0 HG3 ARG B 58 -15.231 10.197 11.056 1.00 0.00 H new ATOM 0 HD2 ARG B 58 -15.466 8.749 13.062 1.00 0.00 H new ATOM 0 HD3 ARG B 58 -13.824 9.321 12.843 1.00 0.00 H new ATOM 0 HE ARG B 58 -14.324 11.064 14.597 1.00 0.00 H new ATOM 0 HH11 ARG B 58 -16.361 8.177 14.395 1.00 0.00 H new ATOM 0 HH12 ARG B 58 -16.782 8.228 16.110 1.00 0.00 H new ATOM 0 HH21 ARG B 58 -14.870 11.105 16.778 1.00 0.00 H new ATOM 0 HH22 ARG B 58 -15.945 9.874 17.449 1.00 0.00 H new ATOM 2091 N LYS B 59 -13.519 14.854 11.327 1.00 0.00 N ATOM 2092 CA LYS B 59 -13.054 16.215 11.582 1.00 0.00 C ATOM 2093 C LYS B 59 -14.070 17.223 11.058 1.00 0.00 C ATOM 2094 O LYS B 59 -14.511 18.121 11.780 1.00 0.00 O ATOM 2095 CB LYS B 59 -11.712 16.463 10.889 1.00 0.00 C ATOM 2096 CG LYS B 59 -10.518 15.805 11.560 1.00 0.00 C ATOM 2097 CD LYS B 59 -10.079 16.577 12.794 1.00 0.00 C ATOM 2098 CE LYS B 59 -8.694 16.149 13.245 1.00 0.00 C ATOM 2099 NZ LYS B 59 -8.179 17.000 14.349 1.00 0.00 N ATOM 0 H LYS B 59 -12.862 14.280 10.799 1.00 0.00 H new ATOM 0 HA LYS B 59 -12.934 16.335 12.659 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -11.777 16.104 9.862 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -11.537 17.538 10.840 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -10.774 14.783 11.840 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -9.690 15.744 10.854 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -10.080 17.645 12.577 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -10.793 16.415 13.601 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -8.725 15.110 13.573 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -8.007 16.197 12.400 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -7.231 16.673 14.626 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -8.125 17.988 14.029 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -8.820 16.935 15.165 1.00 0.00 H new ATOM 2113 N SER B 60 -14.443 17.047 9.797 1.00 0.00 N ATOM 2114 CA SER B 60 -15.352 17.957 9.117 1.00 0.00 C ATOM 2115 C SER B 60 -16.695 18.037 9.837 1.00 0.00 C ATOM 2116 O SER B 60 -17.129 19.115 10.242 1.00 0.00 O ATOM 2117 CB SER B 60 -15.550 17.510 7.667 1.00 0.00 C ATOM 2118 OG SER B 60 -16.322 18.445 6.938 1.00 0.00 O ATOM 0 H SER B 60 -14.124 16.270 9.218 1.00 0.00 H new ATOM 0 HA SER B 60 -14.909 18.953 9.127 1.00 0.00 H new ATOM 0 HB2 SER B 60 -14.579 17.385 7.188 1.00 0.00 H new ATOM 0 HB3 SER B 60 -16.042 16.537 7.649 1.00 0.00 H new ATOM 0 HG SER B 60 -16.429 18.132 6.016 1.00 0.00 H new ATOM 2124 N THR B 61 -17.329 16.890 10.036 1.00 0.00 N ATOM 2125 CA THR B 61 -18.667 16.858 10.611 1.00 0.00 C ATOM 2126 C THR B 61 -18.670 17.336 12.061 1.00 0.00 C ATOM 2127 O THR B 61 -19.709 17.733 12.576 1.00 0.00 O ATOM 2128 CB THR B 61 -19.321 15.457 10.513 1.00 0.00 C ATOM 2129 OG1 THR B 61 -20.672 15.508 10.991 1.00 0.00 O ATOM 2130 CG2 THR B 61 -18.544 14.420 11.311 1.00 0.00 C ATOM 0 H THR B 61 -16.942 15.974 9.809 1.00 0.00 H new ATOM 0 HA THR B 61 -19.266 17.547 10.016 1.00 0.00 H new ATOM 0 HB THR B 61 -19.310 15.162 9.464 1.00 0.00 H new ATOM 0 HG1 THR B 61 -20.733 16.147 11.731 1.00 0.00 H new ATOM 0 HG21 THR B 61 -19.032 13.450 11.219 1.00 0.00 H new ATOM 0 HG22 THR B 61 -17.526 14.352 10.926 1.00 0.00 H new ATOM 0 HG23 THR B 61 -18.516 14.714 12.360 1.00 0.00 H new