USER MOD reduce.3.24.130724 H: found=0, std=0, add=844, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 842 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 1 MET N :NH3+ 180:sc= -0.0188 (180deg=-0.0188) USER MOD Set 1.2: A 3 MET CE :methyl -177:sc= -2.65 (180deg=-2.87) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.455 K(o=0.45,f=-1.8!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 117:sc= 1.01 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= 1.22 K(o=1.2,f=-5.8!) USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 1.33 (180deg=1.24) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.942 K(o=0.94,f=-0.038) USER MOD Single : A 33 MET CE :methyl 168:sc= 0 (180deg=-0.123) USER MOD Single : A 37 LYS NZ :NH3+ -158:sc= 1.3 (180deg=1.14) USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 1.24 (180deg=1.12) USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= 1.1 (180deg=1.09) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0421 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= 1.28 (180deg=1.25) USER MOD Single : A 49 HIS : no HE2:sc= 0.615 K(o=0.61,f=-2.4!) USER MOD Single : A 50 MET CE :methyl 173:sc= -0.636 (180deg=-0.688) USER MOD Single : A 53 LYS NZ :NH3+ -149:sc= 1.96 (180deg=0.911) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -147:sc= 0.18 USER MOD Single : A 69 LYS NZ :NH3+ 170:sc= -0.0076 (180deg=-0.132) USER MOD Single : A 72 SER OG : rot 180:sc= -0.268 USER MOD Single : A 79 SER OG : rot -167:sc= 0.976 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 85:sc= 0.723 USER MOD Single : A 105 THR OG1 : rot -86:sc= 1.06 USER MOD Single : A 110 SER OG : rot -8:sc= 0.991 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.253 -1.930 11.939 1.00 3.98 N ATOM 2 CA MET A 1 4.314 -1.197 12.670 1.00 2.86 C ATOM 3 C MET A 1 5.564 -2.076 12.696 1.00 1.83 C ATOM 4 O MET A 1 5.443 -3.205 13.146 1.00 2.71 O ATOM 5 CB MET A 1 3.838 -0.865 14.098 1.00 2.85 C ATOM 6 CG MET A 1 4.676 0.219 14.784 1.00 3.69 C ATOM 7 SD MET A 1 4.192 1.905 14.327 1.00 5.34 S ATOM 8 CE MET A 1 5.388 2.857 15.301 1.00 6.69 C ATOM 0 H1 MET A 1 2.390 -1.351 11.908 1.00 3.98 H new ATOM 0 H2 MET A 1 3.573 -2.128 10.969 1.00 3.98 H new ATOM 0 H3 MET A 1 3.051 -2.826 12.427 1.00 3.98 H new ATOM 0 HA MET A 1 4.542 -0.254 12.173 1.00 2.86 H new ATOM 0 HB2 MET A 1 2.798 -0.540 14.060 1.00 2.85 H new ATOM 0 HB3 MET A 1 3.866 -1.772 14.702 1.00 2.85 H new ATOM 0 HG2 MET A 1 4.589 0.105 15.865 1.00 3.69 H new ATOM 0 HG3 MET A 1 5.726 0.070 14.531 1.00 3.69 H new ATOM 0 HE1 MET A 1 5.228 3.922 15.134 1.00 6.69 H new ATOM 0 HE2 MET A 1 5.257 2.632 16.359 1.00 6.69 H new ATOM 0 HE3 MET A 1 6.400 2.590 14.996 1.00 6.69 H new ATOM 20 N SER A 2 6.703 -1.608 12.162 1.00 1.37 N ATOM 21 CA SER A 2 7.956 -2.376 11.963 1.00 1.30 C ATOM 22 C SER A 2 7.890 -3.328 10.754 1.00 0.94 C ATOM 23 O SER A 2 7.992 -4.548 10.881 1.00 0.88 O ATOM 24 CB SER A 2 8.429 -3.101 13.239 1.00 2.23 C ATOM 25 OG SER A 2 8.529 -2.183 14.312 1.00 3.10 O ATOM 0 H SER A 2 6.786 -0.643 11.841 1.00 1.37 H new ATOM 0 HA SER A 2 8.716 -1.630 11.732 1.00 1.30 H new ATOM 0 HB2 SER A 2 7.729 -3.897 13.495 1.00 2.23 H new ATOM 0 HB3 SER A 2 9.396 -3.572 13.062 1.00 2.23 H new ATOM 0 HG SER A 2 8.828 -2.653 15.118 1.00 3.10 H new ATOM 31 N MET A 3 7.730 -2.757 9.553 1.00 0.89 N ATOM 32 CA MET A 3 7.516 -3.502 8.300 1.00 0.82 C ATOM 33 C MET A 3 8.631 -4.500 7.976 1.00 1.09 C ATOM 34 O MET A 3 8.351 -5.629 7.580 1.00 2.73 O ATOM 35 CB MET A 3 7.313 -2.512 7.138 1.00 0.84 C ATOM 36 CG MET A 3 6.169 -2.955 6.223 1.00 1.48 C ATOM 37 SD MET A 3 4.528 -2.316 6.678 1.00 1.96 S ATOM 38 CE MET A 3 4.340 -2.914 8.378 1.00 2.75 C ATOM 0 H MET A 3 7.746 -1.746 9.420 1.00 0.89 H new ATOM 0 HA MET A 3 6.618 -4.103 8.440 1.00 0.82 H new ATOM 0 HB2 MET A 3 7.100 -1.520 7.536 1.00 0.84 H new ATOM 0 HB3 MET A 3 8.234 -2.433 6.560 1.00 0.84 H new ATOM 0 HG2 MET A 3 6.395 -2.639 5.205 1.00 1.48 H new ATOM 0 HG3 MET A 3 6.129 -4.044 6.218 1.00 1.48 H new ATOM 0 HE1 MET A 3 3.355 -2.637 8.754 1.00 2.75 H new ATOM 0 HE2 MET A 3 4.443 -3.999 8.396 1.00 2.75 H new ATOM 0 HE3 MET A 3 5.108 -2.466 9.008 1.00 2.75 H new ATOM 48 N THR A 4 9.873 -4.084 8.233 1.00 0.72 N ATOM 49 CA THR A 4 11.115 -4.865 8.226 1.00 0.49 C ATOM 50 C THR A 4 11.017 -6.199 8.966 1.00 0.50 C ATOM 51 O THR A 4 11.669 -7.152 8.551 1.00 0.64 O ATOM 52 CB THR A 4 12.195 -3.992 8.890 1.00 0.63 C ATOM 53 OG1 THR A 4 12.434 -2.872 8.071 1.00 0.77 O ATOM 54 CG2 THR A 4 13.530 -4.689 9.136 1.00 0.85 C ATOM 0 H THR A 4 10.052 -3.109 8.472 1.00 0.72 H new ATOM 0 HA THR A 4 11.350 -5.120 7.193 1.00 0.49 H new ATOM 0 HB THR A 4 11.800 -3.729 9.871 1.00 0.63 H new ATOM 0 HG1 THR A 4 13.119 -2.306 8.483 1.00 0.77 H new ATOM 0 HG21 THR A 4 14.223 -3.992 9.606 1.00 0.85 H new ATOM 0 HG22 THR A 4 13.377 -5.547 9.791 1.00 0.85 H new ATOM 0 HG23 THR A 4 13.944 -5.027 8.186 1.00 0.85 H new ATOM 62 N ASP A 5 10.241 -6.252 10.054 1.00 0.57 N ATOM 63 CA ASP A 5 10.121 -7.411 10.940 1.00 0.67 C ATOM 64 C ASP A 5 8.861 -8.233 10.623 1.00 0.73 C ATOM 65 O ASP A 5 8.902 -9.460 10.604 1.00 0.91 O ATOM 66 CB ASP A 5 10.104 -6.884 12.384 1.00 0.77 C ATOM 67 CG ASP A 5 10.401 -7.977 13.408 1.00 1.04 C ATOM 68 OD1 ASP A 5 11.579 -8.395 13.458 1.00 1.75 O ATOM 69 OD2 ASP A 5 9.461 -8.343 14.146 1.00 1.92 O ATOM 0 H ASP A 5 9.663 -5.465 10.350 1.00 0.57 H new ATOM 0 HA ASP A 5 10.964 -8.087 10.796 1.00 0.67 H new ATOM 0 HB2 ASP A 5 10.840 -6.086 12.485 1.00 0.77 H new ATOM 0 HB3 ASP A 5 9.128 -6.447 12.596 1.00 0.77 H new ATOM 74 N LEU A 6 7.746 -7.549 10.330 1.00 0.73 N ATOM 75 CA LEU A 6 6.465 -8.165 9.978 1.00 0.82 C ATOM 76 C LEU A 6 6.513 -8.850 8.609 1.00 0.73 C ATOM 77 O LEU A 6 6.131 -10.009 8.486 1.00 0.81 O ATOM 78 CB LEU A 6 5.371 -7.091 9.990 1.00 0.97 C ATOM 79 CG LEU A 6 5.089 -6.510 11.384 1.00 1.17 C ATOM 80 CD1 LEU A 6 4.279 -5.235 11.191 1.00 2.53 C ATOM 81 CD2 LEU A 6 4.297 -7.470 12.277 1.00 1.86 C ATOM 0 H LEU A 6 7.712 -6.530 10.332 1.00 0.73 H new ATOM 0 HA LEU A 6 6.245 -8.936 10.716 1.00 0.82 H new ATOM 0 HB2 LEU A 6 5.662 -6.281 9.321 1.00 0.97 H new ATOM 0 HB3 LEU A 6 4.451 -7.518 9.592 1.00 0.97 H new ATOM 0 HG LEU A 6 6.042 -6.325 11.881 1.00 1.17 H new ATOM 0 HD11 LEU A 6 4.059 -4.793 12.163 1.00 2.53 H new ATOM 0 HD12 LEU A 6 4.852 -4.527 10.592 1.00 2.53 H new ATOM 0 HD13 LEU A 6 3.345 -5.471 10.680 1.00 2.53 H new ATOM 0 HD21 LEU A 6 4.127 -7.007 13.249 1.00 1.86 H new ATOM 0 HD22 LEU A 6 3.338 -7.694 11.810 1.00 1.86 H new ATOM 0 HD23 LEU A 6 4.861 -8.393 12.409 1.00 1.86 H new ATOM 93 N LEU A 7 6.969 -8.139 7.574 1.00 0.69 N ATOM 94 CA LEU A 7 7.207 -8.686 6.240 1.00 0.57 C ATOM 95 C LEU A 7 8.664 -9.125 6.195 1.00 0.62 C ATOM 96 O LEU A 7 8.976 -10.115 6.859 1.00 1.41 O ATOM 97 CB LEU A 7 6.756 -7.667 5.181 1.00 0.70 C ATOM 98 CG LEU A 7 5.269 -7.277 5.276 1.00 0.71 C ATOM 99 CD1 LEU A 7 4.934 -6.266 4.181 1.00 1.98 C ATOM 100 CD2 LEU A 7 4.355 -8.497 5.098 1.00 1.69 C ATOM 0 H LEU A 7 7.187 -7.145 7.644 1.00 0.69 H new ATOM 0 HA LEU A 7 6.615 -9.572 6.010 1.00 0.57 H new ATOM 0 HB2 LEU A 7 7.363 -6.767 5.277 1.00 0.70 H new ATOM 0 HB3 LEU A 7 6.950 -8.079 4.191 1.00 0.70 H new ATOM 0 HG LEU A 7 5.102 -6.850 6.265 1.00 0.71 H new ATOM 0 HD11 LEU A 7 3.881 -5.991 4.249 1.00 1.98 H new ATOM 0 HD12 LEU A 7 5.551 -5.376 4.307 1.00 1.98 H new ATOM 0 HD13 LEU A 7 5.131 -6.709 3.205 1.00 1.98 H new ATOM 0 HD21 LEU A 7 3.313 -8.185 5.171 1.00 1.69 H new ATOM 0 HD22 LEU A 7 4.532 -8.945 4.120 1.00 1.69 H new ATOM 0 HD23 LEU A 7 4.570 -9.229 5.876 1.00 1.69 H new ATOM 112 N ASN A 8 9.541 -8.433 5.471 1.00 0.68 N ATOM 113 CA ASN A 8 10.981 -8.610 5.589 1.00 0.61 C ATOM 114 C ASN A 8 11.714 -7.475 4.859 1.00 0.54 C ATOM 115 O ASN A 8 11.283 -7.045 3.792 1.00 0.62 O ATOM 116 CB ASN A 8 11.350 -9.969 4.959 1.00 0.81 C ATOM 117 CG ASN A 8 11.961 -10.980 5.911 1.00 1.51 C ATOM 118 OD1 ASN A 8 12.309 -10.701 7.047 1.00 2.41 O ATOM 119 ND2 ASN A 8 12.107 -12.214 5.481 1.00 1.87 N ATOM 0 H ASN A 8 9.268 -7.731 4.783 1.00 0.68 H new ATOM 0 HA ASN A 8 11.277 -8.588 6.638 1.00 0.61 H new ATOM 0 HB2 ASN A 8 10.452 -10.404 4.521 1.00 0.81 H new ATOM 0 HB3 ASN A 8 12.050 -9.794 4.142 1.00 0.81 H new ATOM 0 HD21 ASN A 8 12.507 -12.924 6.095 1.00 1.87 H new ATOM 0 HD22 ASN A 8 11.820 -12.461 4.534 1.00 1.87 H new ATOM 126 N ALA A 9 12.890 -7.057 5.338 1.00 0.51 N ATOM 127 CA ALA A 9 13.733 -6.116 4.585 1.00 0.63 C ATOM 128 C ALA A 9 13.978 -6.555 3.121 1.00 0.49 C ATOM 129 O ALA A 9 13.901 -5.730 2.211 1.00 0.57 O ATOM 130 CB ALA A 9 15.053 -5.905 5.333 1.00 0.84 C ATOM 0 H ALA A 9 13.279 -7.350 6.234 1.00 0.51 H new ATOM 0 HA ALA A 9 13.195 -5.170 4.519 1.00 0.63 H new ATOM 0 HB1 ALA A 9 15.679 -5.208 4.776 1.00 0.84 H new ATOM 0 HB2 ALA A 9 14.849 -5.498 6.323 1.00 0.84 H new ATOM 0 HB3 ALA A 9 15.571 -6.859 5.432 1.00 0.84 H new ATOM 136 N GLU A 10 14.213 -7.856 2.885 1.00 0.42 N ATOM 137 CA GLU A 10 14.395 -8.454 1.549 1.00 0.56 C ATOM 138 C GLU A 10 13.182 -8.301 0.611 1.00 0.48 C ATOM 139 O GLU A 10 13.376 -8.166 -0.600 1.00 0.84 O ATOM 140 CB GLU A 10 14.782 -9.949 1.667 1.00 0.71 C ATOM 141 CG GLU A 10 13.787 -10.741 2.533 1.00 3.02 C ATOM 142 CD GLU A 10 13.811 -12.265 2.426 1.00 3.67 C ATOM 143 OE1 GLU A 10 14.768 -12.815 1.842 1.00 3.54 O ATOM 144 OE2 GLU A 10 12.831 -12.851 2.954 1.00 4.93 O ATOM 0 H GLU A 10 14.284 -8.541 3.638 1.00 0.42 H new ATOM 0 HA GLU A 10 15.206 -7.888 1.091 1.00 0.56 H new ATOM 0 HB2 GLU A 10 14.826 -10.391 0.671 1.00 0.71 H new ATOM 0 HB3 GLU A 10 15.780 -10.031 2.097 1.00 0.71 H new ATOM 0 HG2 GLU A 10 13.963 -10.475 3.575 1.00 3.02 H new ATOM 0 HG3 GLU A 10 12.781 -10.403 2.283 1.00 3.02 H new ATOM 151 N ASP A 11 11.951 -8.305 1.144 1.00 0.37 N ATOM 152 CA ASP A 11 10.717 -8.240 0.358 1.00 0.40 C ATOM 153 C ASP A 11 10.238 -6.790 0.221 1.00 0.38 C ATOM 154 O ASP A 11 9.912 -6.367 -0.891 1.00 0.39 O ATOM 155 CB ASP A 11 9.694 -9.295 0.836 1.00 0.36 C ATOM 156 CG ASP A 11 9.115 -9.173 2.242 1.00 2.40 C ATOM 157 OD1 ASP A 11 8.936 -8.038 2.724 1.00 4.13 O ATOM 158 OD2 ASP A 11 8.812 -10.259 2.798 1.00 2.93 O ATOM 0 H ASP A 11 11.786 -8.354 2.149 1.00 0.37 H new ATOM 0 HA ASP A 11 10.897 -8.538 -0.675 1.00 0.40 H new ATOM 0 HB2 ASP A 11 8.860 -9.288 0.134 1.00 0.36 H new ATOM 0 HB3 ASP A 11 10.168 -10.273 0.758 1.00 0.36 H new ATOM 163 N ILE A 12 10.385 -5.973 1.274 1.00 0.32 N ATOM 164 CA ILE A 12 10.282 -4.511 1.201 1.00 0.30 C ATOM 165 C ILE A 12 11.161 -3.938 0.078 1.00 0.23 C ATOM 166 O ILE A 12 10.692 -3.079 -0.671 1.00 0.27 O ATOM 167 CB ILE A 12 10.574 -3.867 2.589 1.00 0.44 C ATOM 168 CG1 ILE A 12 9.280 -3.580 3.381 1.00 0.64 C ATOM 169 CG2 ILE A 12 11.340 -2.542 2.517 1.00 0.54 C ATOM 170 CD1 ILE A 12 8.798 -4.813 4.126 1.00 0.75 C ATOM 0 H ILE A 12 10.582 -6.316 2.214 1.00 0.32 H new ATOM 0 HA ILE A 12 9.256 -4.251 0.941 1.00 0.30 H new ATOM 0 HB ILE A 12 11.191 -4.615 3.088 1.00 0.44 H new ATOM 0 HG12 ILE A 12 9.458 -2.772 4.090 1.00 0.64 H new ATOM 0 HG13 ILE A 12 8.502 -3.239 2.698 1.00 0.64 H new ATOM 0 HG21 ILE A 12 11.503 -2.160 3.525 1.00 0.54 H new ATOM 0 HG22 ILE A 12 12.302 -2.704 2.031 1.00 0.54 H new ATOM 0 HG23 ILE A 12 10.761 -1.818 1.944 1.00 0.54 H new ATOM 0 HD11 ILE A 12 7.886 -4.574 4.672 1.00 0.75 H new ATOM 0 HD12 ILE A 12 8.596 -5.613 3.413 1.00 0.75 H new ATOM 0 HD13 ILE A 12 9.566 -5.138 4.827 1.00 0.75 H new ATOM 182 N LYS A 13 12.410 -4.418 -0.077 1.00 0.27 N ATOM 183 CA LYS A 13 13.324 -3.949 -1.133 1.00 0.40 C ATOM 184 C LYS A 13 12.722 -4.110 -2.537 1.00 0.40 C ATOM 185 O LYS A 13 12.744 -3.165 -3.325 1.00 0.48 O ATOM 186 CB LYS A 13 14.733 -4.571 -0.962 1.00 0.51 C ATOM 187 CG LYS A 13 15.237 -5.472 -2.101 1.00 1.71 C ATOM 188 CD LYS A 13 16.653 -5.985 -1.810 1.00 2.92 C ATOM 189 CE LYS A 13 17.151 -6.824 -2.990 1.00 4.16 C ATOM 190 NZ LYS A 13 18.543 -7.289 -2.781 1.00 5.40 N ATOM 0 H LYS A 13 12.811 -5.138 0.524 1.00 0.27 H new ATOM 0 HA LYS A 13 13.458 -2.873 -1.020 1.00 0.40 H new ATOM 0 HB2 LYS A 13 15.448 -3.759 -0.829 1.00 0.51 H new ATOM 0 HB3 LYS A 13 14.737 -5.154 -0.041 1.00 0.51 H new ATOM 0 HG2 LYS A 13 14.559 -6.316 -2.229 1.00 1.71 H new ATOM 0 HG3 LYS A 13 15.233 -4.916 -3.038 1.00 1.71 H new ATOM 0 HD2 LYS A 13 17.326 -5.145 -1.639 1.00 2.92 H new ATOM 0 HD3 LYS A 13 16.653 -6.584 -0.900 1.00 2.92 H new ATOM 0 HE2 LYS A 13 16.496 -7.685 -3.127 1.00 4.16 H new ATOM 0 HE3 LYS A 13 17.098 -6.234 -3.905 1.00 4.16 H new ATOM 0 HZ1 LYS A 13 18.847 -7.854 -3.600 1.00 5.40 H new ATOM 0 HZ2 LYS A 13 19.171 -6.467 -2.675 1.00 5.40 H new ATOM 0 HZ3 LYS A 13 18.589 -7.873 -1.922 1.00 5.40 H new ATOM 204 N LYS A 14 12.157 -5.288 -2.842 1.00 0.40 N ATOM 205 CA LYS A 14 11.461 -5.545 -4.110 1.00 0.48 C ATOM 206 C LYS A 14 10.171 -4.734 -4.226 1.00 0.40 C ATOM 207 O LYS A 14 9.861 -4.237 -5.304 1.00 0.45 O ATOM 208 CB LYS A 14 11.161 -7.044 -4.269 1.00 0.66 C ATOM 209 CG LYS A 14 12.376 -7.846 -4.753 1.00 0.90 C ATOM 210 CD LYS A 14 11.947 -9.277 -5.116 1.00 1.95 C ATOM 211 CE LYS A 14 13.026 -10.029 -5.904 1.00 2.20 C ATOM 212 NZ LYS A 14 14.229 -10.297 -5.084 1.00 2.57 N ATOM 0 H LYS A 14 12.171 -6.091 -2.213 1.00 0.40 H new ATOM 0 HA LYS A 14 12.126 -5.228 -4.914 1.00 0.48 H new ATOM 0 HB2 LYS A 14 10.824 -7.446 -3.313 1.00 0.66 H new ATOM 0 HB3 LYS A 14 10.341 -7.173 -4.976 1.00 0.66 H new ATOM 0 HG2 LYS A 14 12.822 -7.359 -5.621 1.00 0.90 H new ATOM 0 HG3 LYS A 14 13.139 -7.872 -3.975 1.00 0.90 H new ATOM 0 HD2 LYS A 14 11.718 -9.827 -4.203 1.00 1.95 H new ATOM 0 HD3 LYS A 14 11.030 -9.240 -5.705 1.00 1.95 H new ATOM 0 HE2 LYS A 14 12.618 -10.972 -6.267 1.00 2.20 H new ATOM 0 HE3 LYS A 14 13.308 -9.445 -6.780 1.00 2.20 H new ATOM 0 HZ1 LYS A 14 14.932 -10.807 -5.656 1.00 2.57 H new ATOM 0 HZ2 LYS A 14 14.635 -9.397 -4.758 1.00 2.57 H new ATOM 0 HZ3 LYS A 14 13.966 -10.876 -4.261 1.00 2.57 H new ATOM 226 N ALA A 15 9.441 -4.590 -3.123 1.00 0.35 N ATOM 227 CA ALA A 15 8.169 -3.892 -3.059 1.00 0.40 C ATOM 228 C ALA A 15 8.284 -2.396 -3.368 1.00 0.34 C ATOM 229 O ALA A 15 7.587 -1.901 -4.252 1.00 0.39 O ATOM 230 CB ALA A 15 7.622 -4.107 -1.661 1.00 0.43 C ATOM 0 H ALA A 15 9.732 -4.970 -2.222 1.00 0.35 H new ATOM 0 HA ALA A 15 7.502 -4.292 -3.823 1.00 0.40 H new ATOM 0 HB1 ALA A 15 6.663 -3.599 -1.564 1.00 0.43 H new ATOM 0 HB2 ALA A 15 7.487 -5.174 -1.483 1.00 0.43 H new ATOM 0 HB3 ALA A 15 8.322 -3.703 -0.930 1.00 0.43 H new ATOM 236 N VAL A 16 9.174 -1.663 -2.683 1.00 0.28 N ATOM 237 CA VAL A 16 9.387 -0.237 -2.981 1.00 0.28 C ATOM 238 C VAL A 16 9.799 -0.066 -4.451 1.00 0.28 C ATOM 239 O VAL A 16 9.276 0.807 -5.140 1.00 0.36 O ATOM 240 CB VAL A 16 10.393 0.414 -2.010 1.00 0.34 C ATOM 241 CG1 VAL A 16 10.626 1.898 -2.321 1.00 0.64 C ATOM 242 CG2 VAL A 16 9.899 0.337 -0.561 1.00 0.66 C ATOM 0 H VAL A 16 9.753 -2.028 -1.927 1.00 0.28 H new ATOM 0 HA VAL A 16 8.446 0.291 -2.829 1.00 0.28 H new ATOM 0 HB VAL A 16 11.321 -0.144 -2.137 1.00 0.34 H new ATOM 0 HG11 VAL A 16 11.342 2.311 -1.610 1.00 0.64 H new ATOM 0 HG12 VAL A 16 11.019 2.000 -3.332 1.00 0.64 H new ATOM 0 HG13 VAL A 16 9.683 2.439 -2.242 1.00 0.64 H new ATOM 0 HG21 VAL A 16 10.631 0.804 0.098 1.00 0.66 H new ATOM 0 HG22 VAL A 16 8.946 0.859 -0.473 1.00 0.66 H new ATOM 0 HG23 VAL A 16 9.769 -0.707 -0.276 1.00 0.66 H new ATOM 252 N GLY A 17 10.628 -0.983 -4.970 1.00 0.27 N ATOM 253 CA GLY A 17 11.003 -1.055 -6.384 1.00 0.37 C ATOM 254 C GLY A 17 9.858 -1.415 -7.347 1.00 0.47 C ATOM 255 O GLY A 17 10.041 -1.283 -8.554 1.00 0.73 O ATOM 0 H GLY A 17 11.065 -1.710 -4.403 1.00 0.27 H new ATOM 0 HA2 GLY A 17 11.419 -0.093 -6.683 1.00 0.37 H new ATOM 0 HA3 GLY A 17 11.797 -1.794 -6.496 1.00 0.37 H new ATOM 259 N ALA A 18 8.693 -1.848 -6.849 1.00 0.41 N ATOM 260 CA ALA A 18 7.511 -2.172 -7.647 1.00 0.52 C ATOM 261 C ALA A 18 6.592 -0.958 -7.866 1.00 0.54 C ATOM 262 O ALA A 18 6.037 -0.815 -8.952 1.00 0.86 O ATOM 263 CB ALA A 18 6.752 -3.316 -6.962 1.00 0.60 C ATOM 0 H ALA A 18 8.546 -1.986 -5.849 1.00 0.41 H new ATOM 0 HA ALA A 18 7.842 -2.481 -8.638 1.00 0.52 H new ATOM 0 HB1 ALA A 18 5.868 -3.568 -7.547 1.00 0.60 H new ATOM 0 HB2 ALA A 18 7.399 -4.190 -6.889 1.00 0.60 H new ATOM 0 HB3 ALA A 18 6.449 -3.004 -5.962 1.00 0.60 H new ATOM 269 N PHE A 19 6.434 -0.082 -6.859 1.00 0.40 N ATOM 270 CA PHE A 19 5.670 1.170 -6.989 1.00 0.46 C ATOM 271 C PHE A 19 6.540 2.394 -7.327 1.00 0.52 C ATOM 272 O PHE A 19 5.985 3.409 -7.737 1.00 0.70 O ATOM 273 CB PHE A 19 4.893 1.481 -5.699 1.00 0.48 C ATOM 274 CG PHE A 19 3.751 0.566 -5.269 1.00 0.49 C ATOM 275 CD1 PHE A 19 2.998 -0.127 -6.229 1.00 2.06 C ATOM 276 CD2 PHE A 19 3.326 0.527 -3.920 1.00 1.94 C ATOM 277 CE1 PHE A 19 1.853 -0.831 -5.834 1.00 2.05 C ATOM 278 CE2 PHE A 19 2.190 -0.201 -3.526 1.00 1.96 C ATOM 279 CZ PHE A 19 1.457 -0.893 -4.490 1.00 0.57 C ATOM 0 H PHE A 19 6.833 -0.223 -5.931 1.00 0.40 H new ATOM 0 HA PHE A 19 4.989 0.997 -7.822 1.00 0.46 H new ATOM 0 HB2 PHE A 19 5.614 1.508 -4.882 1.00 0.48 H new ATOM 0 HB3 PHE A 19 4.485 2.487 -5.798 1.00 0.48 H new ATOM 0 HD1 PHE A 19 3.299 -0.118 -7.266 1.00 2.06 H new ATOM 0 HD2 PHE A 19 3.888 1.070 -3.175 1.00 1.94 H new ATOM 0 HE1 PHE A 19 1.261 -1.338 -6.582 1.00 2.05 H new ATOM 0 HE2 PHE A 19 1.888 -0.224 -2.489 1.00 1.96 H new ATOM 0 HZ PHE A 19 0.591 -1.472 -4.204 1.00 0.57 H new ATOM 289 N SER A 20 7.877 2.347 -7.186 1.00 0.51 N ATOM 290 CA SER A 20 8.777 3.451 -7.575 1.00 0.62 C ATOM 291 C SER A 20 8.873 3.593 -9.109 1.00 0.69 C ATOM 292 O SER A 20 9.902 3.328 -9.727 1.00 0.84 O ATOM 293 CB SER A 20 10.146 3.285 -6.901 1.00 0.81 C ATOM 294 OG SER A 20 10.896 4.482 -6.981 1.00 1.84 O ATOM 0 H SER A 20 8.366 1.541 -6.798 1.00 0.51 H new ATOM 0 HA SER A 20 8.354 4.390 -7.217 1.00 0.62 H new ATOM 0 HB2 SER A 20 10.010 3.005 -5.856 1.00 0.81 H new ATOM 0 HB3 SER A 20 10.695 2.474 -7.379 1.00 0.81 H new ATOM 0 HG SER A 20 11.764 4.354 -6.544 1.00 1.84 H new ATOM 300 N ALA A 21 7.749 3.976 -9.726 1.00 0.84 N ATOM 301 CA ALA A 21 7.487 3.947 -11.164 1.00 1.31 C ATOM 302 C ALA A 21 6.496 5.057 -11.593 1.00 1.59 C ATOM 303 O ALA A 21 5.685 4.841 -12.495 1.00 3.52 O ATOM 304 CB ALA A 21 6.991 2.535 -11.517 1.00 1.45 C ATOM 0 H ALA A 21 6.952 4.336 -9.200 1.00 0.84 H new ATOM 0 HA ALA A 21 8.400 4.159 -11.720 1.00 1.31 H new ATOM 0 HB1 ALA A 21 6.785 2.478 -12.586 1.00 1.45 H new ATOM 0 HB2 ALA A 21 7.757 1.804 -11.255 1.00 1.45 H new ATOM 0 HB3 ALA A 21 6.079 2.320 -10.960 1.00 1.45 H new ATOM 310 N THR A 22 6.575 6.219 -10.922 1.00 1.04 N ATOM 311 CA THR A 22 5.771 7.458 -11.052 1.00 1.07 C ATOM 312 C THR A 22 4.256 7.265 -10.927 1.00 1.39 C ATOM 313 O THR A 22 3.663 7.678 -9.931 1.00 2.87 O ATOM 314 CB THR A 22 6.155 8.309 -12.290 1.00 1.10 C ATOM 315 OG1 THR A 22 6.028 7.631 -13.525 1.00 1.06 O ATOM 316 CG2 THR A 22 7.613 8.770 -12.210 1.00 1.57 C ATOM 0 H THR A 22 7.280 6.330 -10.194 1.00 1.04 H new ATOM 0 HA THR A 22 6.049 8.036 -10.171 1.00 1.07 H new ATOM 0 HB THR A 22 5.451 9.141 -12.264 1.00 1.10 H new ATOM 0 HG1 THR A 22 5.351 8.078 -14.075 1.00 1.06 H new ATOM 0 HG21 THR A 22 7.855 9.365 -13.091 1.00 1.57 H new ATOM 0 HG22 THR A 22 7.755 9.374 -11.314 1.00 1.57 H new ATOM 0 HG23 THR A 22 8.268 7.900 -12.168 1.00 1.57 H new ATOM 324 N ASP A 23 3.648 6.691 -11.964 1.00 0.82 N ATOM 325 CA ASP A 23 2.228 6.481 -12.207 1.00 0.85 C ATOM 326 C ASP A 23 1.891 5.005 -12.509 1.00 0.69 C ATOM 327 O ASP A 23 0.716 4.644 -12.592 1.00 1.03 O ATOM 328 CB ASP A 23 1.749 7.421 -13.342 1.00 1.08 C ATOM 329 CG ASP A 23 2.795 8.430 -13.853 1.00 2.47 C ATOM 330 OD1 ASP A 23 3.816 7.993 -14.433 1.00 3.62 O ATOM 331 OD2 ASP A 23 2.624 9.642 -13.579 1.00 3.34 O ATOM 0 H ASP A 23 4.203 6.323 -12.737 1.00 0.82 H new ATOM 0 HA ASP A 23 1.689 6.728 -11.292 1.00 0.85 H new ATOM 0 HB2 ASP A 23 1.419 6.809 -14.182 1.00 1.08 H new ATOM 0 HB3 ASP A 23 0.878 7.974 -12.989 1.00 1.08 H new ATOM 336 N SER A 24 2.903 4.140 -12.671 1.00 0.53 N ATOM 337 CA SER A 24 2.752 2.749 -13.111 1.00 0.68 C ATOM 338 C SER A 24 2.536 1.808 -11.917 1.00 0.70 C ATOM 339 O SER A 24 3.352 0.941 -11.603 1.00 1.31 O ATOM 340 CB SER A 24 3.956 2.355 -13.972 1.00 1.08 C ATOM 341 OG SER A 24 3.661 1.189 -14.717 1.00 1.66 O ATOM 0 H SER A 24 3.874 4.397 -12.494 1.00 0.53 H new ATOM 0 HA SER A 24 1.858 2.655 -13.727 1.00 0.68 H new ATOM 0 HB2 SER A 24 4.213 3.172 -14.647 1.00 1.08 H new ATOM 0 HB3 SER A 24 4.825 2.180 -13.338 1.00 1.08 H new ATOM 0 HG SER A 24 4.436 0.946 -15.265 1.00 1.66 H new ATOM 347 N PHE A 25 1.418 2.013 -11.219 1.00 0.67 N ATOM 348 CA PHE A 25 1.062 1.302 -9.992 1.00 0.64 C ATOM 349 C PHE A 25 0.618 -0.146 -10.251 1.00 0.94 C ATOM 350 O PHE A 25 -0.322 -0.385 -11.011 1.00 2.01 O ATOM 351 CB PHE A 25 -0.091 2.063 -9.329 1.00 0.66 C ATOM 352 CG PHE A 25 -0.301 1.751 -7.864 1.00 0.83 C ATOM 353 CD1 PHE A 25 0.652 2.169 -6.920 1.00 1.98 C ATOM 354 CD2 PHE A 25 -1.471 1.099 -7.438 1.00 1.60 C ATOM 355 CE1 PHE A 25 0.443 1.931 -5.554 1.00 2.24 C ATOM 356 CE2 PHE A 25 -1.657 0.812 -6.072 1.00 1.62 C ATOM 357 CZ PHE A 25 -0.691 1.216 -5.133 1.00 1.37 C ATOM 0 H PHE A 25 0.716 2.698 -11.500 1.00 0.67 H new ATOM 0 HA PHE A 25 1.946 1.257 -9.355 1.00 0.64 H new ATOM 0 HB2 PHE A 25 0.090 3.133 -9.435 1.00 0.66 H new ATOM 0 HB3 PHE A 25 -1.012 1.841 -9.868 1.00 0.66 H new ATOM 0 HD1 PHE A 25 1.548 2.675 -7.247 1.00 1.98 H new ATOM 0 HD2 PHE A 25 -2.226 0.819 -8.157 1.00 1.60 H new ATOM 0 HE1 PHE A 25 1.153 2.297 -4.827 1.00 2.24 H new ATOM 0 HE2 PHE A 25 -2.540 0.283 -5.746 1.00 1.62 H new ATOM 0 HZ PHE A 25 -0.821 0.977 -4.088 1.00 1.37 H new ATOM 367 N ASP A 26 1.217 -1.116 -9.549 1.00 0.58 N ATOM 368 CA ASP A 26 0.789 -2.517 -9.587 1.00 0.74 C ATOM 369 C ASP A 26 0.727 -3.124 -8.175 1.00 0.56 C ATOM 370 O ASP A 26 1.660 -3.774 -7.705 1.00 0.58 O ATOM 371 CB ASP A 26 1.672 -3.315 -10.559 1.00 1.17 C ATOM 372 CG ASP A 26 1.087 -4.698 -10.866 1.00 2.02 C ATOM 373 OD1 ASP A 26 0.305 -5.216 -10.030 1.00 3.25 O ATOM 374 OD2 ASP A 26 1.443 -5.254 -11.925 1.00 2.48 O ATOM 0 H ASP A 26 2.015 -0.949 -8.937 1.00 0.58 H new ATOM 0 HA ASP A 26 -0.230 -2.569 -9.971 1.00 0.74 H new ATOM 0 HB2 ASP A 26 1.786 -2.756 -11.488 1.00 1.17 H new ATOM 0 HB3 ASP A 26 2.668 -3.430 -10.132 1.00 1.17 H new ATOM 379 N HIS A 27 -0.383 -2.875 -7.467 1.00 0.61 N ATOM 380 CA HIS A 27 -0.606 -3.359 -6.098 1.00 0.56 C ATOM 381 C HIS A 27 -0.591 -4.882 -6.017 1.00 0.51 C ATOM 382 O HIS A 27 -0.044 -5.453 -5.075 1.00 0.50 O ATOM 383 CB HIS A 27 -1.913 -2.775 -5.530 1.00 0.68 C ATOM 384 CG HIS A 27 -3.043 -2.685 -6.532 1.00 1.48 C ATOM 385 ND1 HIS A 27 -3.245 -1.650 -7.416 1.00 2.90 N ATOM 386 CD2 HIS A 27 -4.011 -3.620 -6.770 1.00 2.58 C ATOM 387 CE1 HIS A 27 -4.305 -1.960 -8.179 1.00 3.49 C ATOM 388 NE2 HIS A 27 -4.799 -3.154 -7.825 1.00 3.27 N ATOM 0 H HIS A 27 -1.160 -2.325 -7.833 1.00 0.61 H new ATOM 0 HA HIS A 27 0.223 -3.009 -5.483 1.00 0.56 H new ATOM 0 HB2 HIS A 27 -2.236 -3.389 -4.690 1.00 0.68 H new ATOM 0 HB3 HIS A 27 -1.711 -1.778 -5.137 1.00 0.68 H new ATOM 0 HD1 HIS A 27 -2.688 -0.798 -7.480 1.00 2.90 H new ATOM 0 HD2 HIS A 27 -4.143 -4.551 -6.238 1.00 2.58 H new ATOM 0 HE1 HIS A 27 -4.703 -1.336 -8.966 1.00 3.49 H new ATOM 396 N LYS A 28 -1.139 -5.524 -7.047 1.00 0.54 N ATOM 397 CA LYS A 28 -1.161 -6.964 -7.268 1.00 0.64 C ATOM 398 C LYS A 28 0.264 -7.513 -7.186 1.00 0.55 C ATOM 399 O LYS A 28 0.510 -8.447 -6.421 1.00 0.61 O ATOM 400 CB LYS A 28 -1.827 -7.270 -8.625 1.00 0.82 C ATOM 401 CG LYS A 28 -3.111 -6.451 -8.912 1.00 1.46 C ATOM 402 CD LYS A 28 -2.924 -5.199 -9.797 1.00 2.20 C ATOM 403 CE LYS A 28 -2.442 -5.484 -11.227 1.00 2.29 C ATOM 404 NZ LYS A 28 -3.469 -6.177 -12.039 1.00 3.17 N ATOM 0 H LYS A 28 -1.609 -5.017 -7.797 1.00 0.54 H new ATOM 0 HA LYS A 28 -1.751 -7.457 -6.496 1.00 0.64 H new ATOM 0 HB2 LYS A 28 -1.106 -7.081 -9.420 1.00 0.82 H new ATOM 0 HB3 LYS A 28 -2.072 -8.331 -8.663 1.00 0.82 H new ATOM 0 HG2 LYS A 28 -3.838 -7.106 -9.391 1.00 1.46 H new ATOM 0 HG3 LYS A 28 -3.541 -6.139 -7.960 1.00 1.46 H new ATOM 0 HD2 LYS A 28 -3.872 -4.664 -9.849 1.00 2.20 H new ATOM 0 HD3 LYS A 28 -2.208 -4.534 -9.314 1.00 2.20 H new ATOM 0 HE2 LYS A 28 -2.172 -4.545 -11.711 1.00 2.29 H new ATOM 0 HE3 LYS A 28 -1.540 -6.094 -11.189 1.00 2.29 H new ATOM 0 HZ1 LYS A 28 -3.060 -6.453 -12.954 1.00 3.17 H new ATOM 0 HZ2 LYS A 28 -3.795 -7.026 -11.535 1.00 3.17 H new ATOM 0 HZ3 LYS A 28 -4.274 -5.539 -12.199 1.00 3.17 H new ATOM 418 N LYS A 29 1.191 -6.926 -7.953 1.00 0.52 N ATOM 419 CA LYS A 29 2.614 -7.273 -7.992 1.00 0.49 C ATOM 420 C LYS A 29 3.363 -6.848 -6.725 1.00 0.42 C ATOM 421 O LYS A 29 4.099 -7.666 -6.183 1.00 0.45 O ATOM 422 CB LYS A 29 3.203 -6.637 -9.252 1.00 0.64 C ATOM 423 CG LYS A 29 4.441 -7.334 -9.810 1.00 0.81 C ATOM 424 CD LYS A 29 4.920 -6.549 -11.041 1.00 1.37 C ATOM 425 CE LYS A 29 5.601 -7.477 -12.044 1.00 1.65 C ATOM 426 NZ LYS A 29 5.920 -6.752 -13.297 1.00 2.62 N ATOM 0 H LYS A 29 0.958 -6.164 -8.590 1.00 0.52 H new ATOM 0 HA LYS A 29 2.727 -8.357 -8.027 1.00 0.49 H new ATOM 0 HB2 LYS A 29 2.435 -6.620 -10.025 1.00 0.64 H new ATOM 0 HB3 LYS A 29 3.457 -5.600 -9.032 1.00 0.64 H new ATOM 0 HG2 LYS A 29 5.227 -7.375 -9.056 1.00 0.81 H new ATOM 0 HG3 LYS A 29 4.207 -8.363 -10.083 1.00 0.81 H new ATOM 0 HD2 LYS A 29 4.072 -6.054 -11.514 1.00 1.37 H new ATOM 0 HD3 LYS A 29 5.614 -5.768 -10.732 1.00 1.37 H new ATOM 0 HE2 LYS A 29 6.515 -7.882 -11.610 1.00 1.65 H new ATOM 0 HE3 LYS A 29 4.950 -8.323 -12.264 1.00 1.65 H new ATOM 0 HZ1 LYS A 29 6.382 -7.401 -13.965 1.00 2.62 H new ATOM 0 HZ2 LYS A 29 5.043 -6.387 -13.720 1.00 2.62 H new ATOM 0 HZ3 LYS A 29 6.559 -5.959 -13.086 1.00 2.62 H new ATOM 440 N PHE A 30 3.133 -5.637 -6.199 1.00 0.41 N ATOM 441 CA PHE A 30 3.685 -5.181 -4.915 1.00 0.38 C ATOM 442 C PHE A 30 3.388 -6.180 -3.792 1.00 0.38 C ATOM 443 O PHE A 30 4.311 -6.611 -3.107 1.00 0.47 O ATOM 444 CB PHE A 30 3.129 -3.795 -4.556 1.00 0.42 C ATOM 445 CG PHE A 30 3.677 -3.225 -3.255 1.00 0.45 C ATOM 446 CD1 PHE A 30 3.184 -3.659 -2.008 1.00 1.96 C ATOM 447 CD2 PHE A 30 4.697 -2.259 -3.292 1.00 1.92 C ATOM 448 CE1 PHE A 30 3.760 -3.193 -0.815 1.00 1.97 C ATOM 449 CE2 PHE A 30 5.251 -1.764 -2.098 1.00 2.01 C ATOM 450 CZ PHE A 30 4.814 -2.270 -0.864 1.00 0.76 C ATOM 0 H PHE A 30 2.551 -4.937 -6.659 1.00 0.41 H new ATOM 0 HA PHE A 30 4.767 -5.111 -5.023 1.00 0.38 H new ATOM 0 HB2 PHE A 30 3.355 -3.103 -5.367 1.00 0.42 H new ATOM 0 HB3 PHE A 30 2.043 -3.858 -4.484 1.00 0.42 H new ATOM 0 HD1 PHE A 30 2.358 -4.354 -1.970 1.00 1.96 H new ATOM 0 HD2 PHE A 30 5.057 -1.895 -4.243 1.00 1.92 H new ATOM 0 HE1 PHE A 30 3.392 -3.545 0.138 1.00 1.97 H new ATOM 0 HE2 PHE A 30 6.010 -0.997 -2.130 1.00 2.01 H new ATOM 0 HZ PHE A 30 5.291 -1.948 0.050 1.00 0.76 H new ATOM 460 N PHE A 31 2.119 -6.572 -3.605 1.00 0.36 N ATOM 461 CA PHE A 31 1.725 -7.492 -2.534 1.00 0.35 C ATOM 462 C PHE A 31 2.350 -8.887 -2.681 1.00 0.32 C ATOM 463 O PHE A 31 2.562 -9.561 -1.675 1.00 0.38 O ATOM 464 CB PHE A 31 0.200 -7.606 -2.439 1.00 0.40 C ATOM 465 CG PHE A 31 -0.474 -6.568 -1.554 1.00 0.57 C ATOM 466 CD1 PHE A 31 -0.295 -5.191 -1.792 1.00 1.88 C ATOM 467 CD2 PHE A 31 -1.330 -6.979 -0.513 1.00 1.63 C ATOM 468 CE1 PHE A 31 -0.910 -4.241 -0.960 1.00 2.05 C ATOM 469 CE2 PHE A 31 -1.960 -6.031 0.310 1.00 1.65 C ATOM 470 CZ PHE A 31 -1.734 -4.662 0.097 1.00 1.02 C ATOM 0 H PHE A 31 1.343 -6.261 -4.189 1.00 0.36 H new ATOM 0 HA PHE A 31 2.111 -7.063 -1.610 1.00 0.35 H new ATOM 0 HB2 PHE A 31 -0.217 -7.530 -3.443 1.00 0.40 H new ATOM 0 HB3 PHE A 31 -0.051 -8.598 -2.064 1.00 0.40 H new ATOM 0 HD1 PHE A 31 0.318 -4.864 -2.619 1.00 1.88 H new ATOM 0 HD2 PHE A 31 -1.503 -8.032 -0.346 1.00 1.63 H new ATOM 0 HE1 PHE A 31 -0.749 -3.187 -1.133 1.00 2.05 H new ATOM 0 HE2 PHE A 31 -2.616 -6.354 1.104 1.00 1.65 H new ATOM 0 HZ PHE A 31 -2.194 -3.932 0.746 1.00 1.02 H new ATOM 480 N GLN A 32 2.666 -9.310 -3.910 1.00 0.28 N ATOM 481 CA GLN A 32 3.462 -10.509 -4.178 1.00 0.29 C ATOM 482 C GLN A 32 4.945 -10.271 -3.841 1.00 0.38 C ATOM 483 O GLN A 32 5.531 -11.042 -3.087 1.00 0.44 O ATOM 484 CB GLN A 32 3.265 -10.940 -5.645 1.00 0.34 C ATOM 485 CG GLN A 32 1.851 -11.491 -5.882 1.00 0.41 C ATOM 486 CD GLN A 32 1.504 -11.608 -7.362 1.00 0.98 C ATOM 487 OE1 GLN A 32 1.996 -12.458 -8.081 1.00 1.98 O ATOM 488 NE2 GLN A 32 0.602 -10.780 -7.851 1.00 1.02 N ATOM 0 H GLN A 32 2.372 -8.822 -4.756 1.00 0.28 H new ATOM 0 HA GLN A 32 3.121 -11.321 -3.535 1.00 0.29 H new ATOM 0 HB2 GLN A 32 3.440 -10.089 -6.303 1.00 0.34 H new ATOM 0 HB3 GLN A 32 4.002 -11.700 -5.905 1.00 0.34 H new ATOM 0 HG2 GLN A 32 1.765 -12.472 -5.414 1.00 0.41 H new ATOM 0 HG3 GLN A 32 1.126 -10.840 -5.394 1.00 0.41 H new ATOM 0 HE21 GLN A 32 0.187 -10.066 -7.252 1.00 1.02 H new ATOM 0 HE22 GLN A 32 0.319 -10.853 -8.828 1.00 1.02 H new ATOM 497 N MET A 33 5.544 -9.188 -4.351 1.00 0.45 N ATOM 498 CA MET A 33 6.957 -8.826 -4.181 1.00 0.55 C ATOM 499 C MET A 33 7.358 -8.539 -2.724 1.00 0.59 C ATOM 500 O MET A 33 8.423 -8.987 -2.308 1.00 0.67 O ATOM 501 CB MET A 33 7.284 -7.631 -5.092 1.00 0.58 C ATOM 502 CG MET A 33 7.360 -8.077 -6.558 1.00 0.63 C ATOM 503 SD MET A 33 7.618 -6.747 -7.765 1.00 1.87 S ATOM 504 CE MET A 33 9.404 -6.852 -8.043 1.00 1.81 C ATOM 0 H MET A 33 5.035 -8.510 -4.918 1.00 0.45 H new ATOM 0 HA MET A 33 7.549 -9.694 -4.470 1.00 0.55 H new ATOM 0 HB2 MET A 33 6.521 -6.861 -4.979 1.00 0.58 H new ATOM 0 HB3 MET A 33 8.233 -7.186 -4.792 1.00 0.58 H new ATOM 0 HG2 MET A 33 8.171 -8.798 -6.659 1.00 0.63 H new ATOM 0 HG3 MET A 33 6.437 -8.599 -6.810 1.00 0.63 H new ATOM 0 HE1 MET A 33 9.674 -6.248 -8.909 1.00 1.81 H new ATOM 0 HE2 MET A 33 9.931 -6.482 -7.164 1.00 1.81 H new ATOM 0 HE3 MET A 33 9.684 -7.890 -8.224 1.00 1.81 H new ATOM 514 N VAL A 34 6.506 -7.852 -1.948 1.00 0.55 N ATOM 515 CA VAL A 34 6.620 -7.677 -0.486 1.00 0.54 C ATOM 516 C VAL A 34 6.151 -8.928 0.285 1.00 0.52 C ATOM 517 O VAL A 34 6.237 -8.982 1.508 1.00 0.61 O ATOM 518 CB VAL A 34 5.789 -6.454 -0.038 1.00 0.57 C ATOM 519 CG1 VAL A 34 4.326 -6.757 0.272 1.00 0.68 C ATOM 520 CG2 VAL A 34 6.453 -5.750 1.151 1.00 0.51 C ATOM 0 H VAL A 34 5.686 -7.384 -2.333 1.00 0.55 H new ATOM 0 HA VAL A 34 7.674 -7.519 -0.257 1.00 0.54 H new ATOM 0 HB VAL A 34 5.774 -5.789 -0.901 1.00 0.57 H new ATOM 0 HG11 VAL A 34 3.822 -5.840 0.578 1.00 0.68 H new ATOM 0 HG12 VAL A 34 3.841 -7.158 -0.618 1.00 0.68 H new ATOM 0 HG13 VAL A 34 4.269 -7.489 1.078 1.00 0.68 H new ATOM 0 HG21 VAL A 34 5.850 -4.892 1.449 1.00 0.51 H new ATOM 0 HG22 VAL A 34 6.533 -6.445 1.987 1.00 0.51 H new ATOM 0 HG23 VAL A 34 7.449 -5.412 0.864 1.00 0.51 H new ATOM 530 N GLY A 35 5.579 -9.929 -0.397 1.00 0.46 N ATOM 531 CA GLY A 35 5.027 -11.125 0.230 1.00 0.47 C ATOM 532 C GLY A 35 3.892 -10.877 1.229 1.00 0.44 C ATOM 533 O GLY A 35 3.697 -11.689 2.125 1.00 0.48 O ATOM 0 H GLY A 35 5.488 -9.925 -1.413 1.00 0.46 H new ATOM 0 HA2 GLY A 35 4.661 -11.789 -0.553 1.00 0.47 H new ATOM 0 HA3 GLY A 35 5.832 -11.650 0.743 1.00 0.47 H new ATOM 537 N LEU A 36 3.126 -9.793 1.084 1.00 0.44 N ATOM 538 CA LEU A 36 2.007 -9.413 1.953 1.00 0.46 C ATOM 539 C LEU A 36 1.015 -10.574 2.096 1.00 0.37 C ATOM 540 O LEU A 36 0.817 -11.110 3.182 1.00 0.35 O ATOM 541 CB LEU A 36 1.344 -8.148 1.364 1.00 0.50 C ATOM 542 CG LEU A 36 1.386 -6.947 2.320 1.00 0.90 C ATOM 543 CD1 LEU A 36 1.201 -5.610 1.589 1.00 0.76 C ATOM 544 CD2 LEU A 36 0.296 -7.144 3.376 1.00 1.42 C ATOM 0 H LEU A 36 3.274 -9.127 0.326 1.00 0.44 H new ATOM 0 HA LEU A 36 2.364 -9.188 2.958 1.00 0.46 H new ATOM 0 HB2 LEU A 36 1.845 -7.882 0.433 1.00 0.50 H new ATOM 0 HB3 LEU A 36 0.306 -8.371 1.115 1.00 0.50 H new ATOM 0 HG LEU A 36 2.370 -6.901 2.787 1.00 0.90 H new ATOM 0 HD11 LEU A 36 1.239 -4.793 2.310 1.00 0.76 H new ATOM 0 HD12 LEU A 36 1.997 -5.483 0.855 1.00 0.76 H new ATOM 0 HD13 LEU A 36 0.236 -5.603 1.082 1.00 0.76 H new ATOM 0 HD21 LEU A 36 0.305 -6.303 4.069 1.00 1.42 H new ATOM 0 HD22 LEU A 36 -0.677 -7.202 2.888 1.00 1.42 H new ATOM 0 HD23 LEU A 36 0.483 -8.067 3.924 1.00 1.42 H new ATOM 556 N LYS A 37 0.493 -11.013 0.947 1.00 0.34 N ATOM 557 CA LYS A 37 -0.331 -12.230 0.759 1.00 0.36 C ATOM 558 C LYS A 37 0.304 -13.532 1.300 1.00 0.33 C ATOM 559 O LYS A 37 -0.427 -14.499 1.494 1.00 0.38 O ATOM 560 CB LYS A 37 -0.663 -12.447 -0.734 1.00 0.50 C ATOM 561 CG LYS A 37 -1.756 -11.518 -1.283 1.00 0.57 C ATOM 562 CD LYS A 37 -2.309 -11.994 -2.638 1.00 0.59 C ATOM 563 CE LYS A 37 -1.262 -11.936 -3.759 1.00 0.62 C ATOM 564 NZ LYS A 37 -1.848 -12.290 -5.075 1.00 1.20 N ATOM 0 H LYS A 37 0.636 -10.509 0.072 1.00 0.34 H new ATOM 0 HA LYS A 37 -1.230 -12.037 1.345 1.00 0.36 H new ATOM 0 HB2 LYS A 37 0.245 -12.305 -1.320 1.00 0.50 H new ATOM 0 HB3 LYS A 37 -0.977 -13.481 -0.877 1.00 0.50 H new ATOM 0 HG2 LYS A 37 -2.572 -11.457 -0.563 1.00 0.57 H new ATOM 0 HG3 LYS A 37 -1.352 -10.512 -1.393 1.00 0.57 H new ATOM 0 HD2 LYS A 37 -2.672 -13.017 -2.538 1.00 0.59 H new ATOM 0 HD3 LYS A 37 -3.165 -11.377 -2.913 1.00 0.59 H new ATOM 0 HE2 LYS A 37 -0.836 -10.934 -3.808 1.00 0.62 H new ATOM 0 HE3 LYS A 37 -0.444 -12.619 -3.529 1.00 0.62 H new ATOM 0 HZ1 LYS A 37 -1.093 -12.603 -5.718 1.00 1.20 H new ATOM 0 HZ2 LYS A 37 -2.539 -13.058 -4.952 1.00 1.20 H new ATOM 0 HZ3 LYS A 37 -2.324 -11.458 -5.478 1.00 1.20 H new ATOM 578 N LYS A 38 1.630 -13.592 1.519 1.00 0.34 N ATOM 579 CA LYS A 38 2.338 -14.756 2.094 1.00 0.38 C ATOM 580 C LYS A 38 2.367 -14.713 3.632 1.00 0.32 C ATOM 581 O LYS A 38 2.602 -15.743 4.261 1.00 0.39 O ATOM 582 CB LYS A 38 3.755 -14.893 1.464 1.00 0.53 C ATOM 583 CG LYS A 38 4.950 -14.565 2.393 1.00 1.40 C ATOM 584 CD LYS A 38 6.264 -14.236 1.658 1.00 1.58 C ATOM 585 CE LYS A 38 7.056 -13.222 2.502 1.00 2.51 C ATOM 586 NZ LYS A 38 8.220 -12.642 1.791 1.00 3.44 N ATOM 0 H LYS A 38 2.255 -12.817 1.297 1.00 0.34 H new ATOM 0 HA LYS A 38 1.780 -15.657 1.839 1.00 0.38 H new ATOM 0 HB2 LYS A 38 3.872 -15.915 1.103 1.00 0.53 H new ATOM 0 HB3 LYS A 38 3.808 -14.239 0.594 1.00 0.53 H new ATOM 0 HG2 LYS A 38 4.681 -13.718 3.024 1.00 1.40 H new ATOM 0 HG3 LYS A 38 5.122 -15.414 3.055 1.00 1.40 H new ATOM 0 HD2 LYS A 38 6.850 -15.142 1.507 1.00 1.58 H new ATOM 0 HD3 LYS A 38 6.053 -13.824 0.671 1.00 1.58 H new ATOM 0 HE2 LYS A 38 6.389 -12.416 2.808 1.00 2.51 H new ATOM 0 HE3 LYS A 38 7.403 -13.711 3.412 1.00 2.51 H new ATOM 0 HZ1 LYS A 38 8.658 -11.907 2.383 1.00 3.44 H new ATOM 0 HZ2 LYS A 38 8.916 -13.390 1.596 1.00 3.44 H new ATOM 0 HZ3 LYS A 38 7.904 -12.221 0.894 1.00 3.44 H new ATOM 600 N LYS A 39 2.170 -13.528 4.225 1.00 0.31 N ATOM 601 CA LYS A 39 2.180 -13.268 5.663 1.00 0.30 C ATOM 602 C LYS A 39 0.780 -13.430 6.286 1.00 0.37 C ATOM 603 O LYS A 39 -0.185 -13.721 5.580 1.00 0.44 O ATOM 604 CB LYS A 39 2.775 -11.864 5.891 1.00 0.33 C ATOM 605 CG LYS A 39 3.921 -11.933 6.904 1.00 1.30 C ATOM 606 CD LYS A 39 5.267 -12.348 6.289 1.00 0.65 C ATOM 607 CE LYS A 39 6.186 -12.749 7.450 1.00 1.67 C ATOM 608 NZ LYS A 39 7.616 -12.438 7.218 1.00 2.29 N ATOM 0 H LYS A 39 1.990 -12.683 3.682 1.00 0.31 H new ATOM 0 HA LYS A 39 2.802 -14.005 6.170 1.00 0.30 H new ATOM 0 HB2 LYS A 39 3.138 -11.457 4.947 1.00 0.33 H new ATOM 0 HB3 LYS A 39 2.001 -11.187 6.253 1.00 0.33 H new ATOM 0 HG2 LYS A 39 4.034 -10.958 7.378 1.00 1.30 H new ATOM 0 HG3 LYS A 39 3.657 -12.641 7.690 1.00 1.30 H new ATOM 0 HD2 LYS A 39 5.135 -13.180 5.597 1.00 0.65 H new ATOM 0 HD3 LYS A 39 5.701 -11.526 5.720 1.00 0.65 H new ATOM 0 HE2 LYS A 39 5.856 -12.239 8.355 1.00 1.67 H new ATOM 0 HE3 LYS A 39 6.081 -13.819 7.631 1.00 1.67 H new ATOM 0 HZ1 LYS A 39 8.172 -12.721 8.050 1.00 2.29 H new ATOM 0 HZ2 LYS A 39 7.953 -12.958 6.383 1.00 2.29 H new ATOM 0 HZ3 LYS A 39 7.728 -11.416 7.058 1.00 2.29 H new ATOM 622 N SER A 40 0.663 -13.292 7.614 1.00 0.45 N ATOM 623 CA SER A 40 -0.605 -13.523 8.315 1.00 0.51 C ATOM 624 C SER A 40 -1.662 -12.436 8.073 1.00 0.41 C ATOM 625 O SER A 40 -1.357 -11.320 7.665 1.00 0.34 O ATOM 626 CB SER A 40 -0.351 -13.711 9.816 1.00 0.64 C ATOM 627 OG SER A 40 -1.511 -14.206 10.459 1.00 1.67 O ATOM 0 H SER A 40 1.434 -13.021 8.224 1.00 0.45 H new ATOM 0 HA SER A 40 -1.025 -14.436 7.893 1.00 0.51 H new ATOM 0 HB2 SER A 40 0.478 -14.403 9.966 1.00 0.64 H new ATOM 0 HB3 SER A 40 -0.058 -12.761 10.263 1.00 0.64 H new ATOM 0 HG SER A 40 -1.331 -14.322 11.415 1.00 1.67 H new ATOM 633 N ALA A 41 -2.918 -12.722 8.423 1.00 0.56 N ATOM 634 CA ALA A 41 -3.980 -11.719 8.501 1.00 0.57 C ATOM 635 C ALA A 41 -3.597 -10.579 9.457 1.00 0.54 C ATOM 636 O ALA A 41 -3.736 -9.401 9.127 1.00 0.49 O ATOM 637 CB ALA A 41 -5.258 -12.406 8.983 1.00 0.81 C ATOM 0 H ALA A 41 -3.228 -13.664 8.662 1.00 0.56 H new ATOM 0 HA ALA A 41 -4.135 -11.281 7.515 1.00 0.57 H new ATOM 0 HB1 ALA A 41 -6.063 -11.674 9.048 1.00 0.81 H new ATOM 0 HB2 ALA A 41 -5.537 -13.190 8.279 1.00 0.81 H new ATOM 0 HB3 ALA A 41 -5.087 -12.845 9.966 1.00 0.81 H new ATOM 643 N ASP A 42 -3.077 -10.941 10.636 1.00 0.66 N ATOM 644 CA ASP A 42 -2.629 -9.997 11.657 1.00 0.74 C ATOM 645 C ASP A 42 -1.427 -9.166 11.173 1.00 0.66 C ATOM 646 O ASP A 42 -1.344 -7.961 11.421 1.00 0.86 O ATOM 647 CB ASP A 42 -2.290 -10.774 12.943 1.00 0.92 C ATOM 648 CG ASP A 42 -2.945 -10.145 14.172 1.00 1.99 C ATOM 649 OD1 ASP A 42 -2.874 -8.898 14.289 1.00 3.44 O ATOM 650 OD2 ASP A 42 -3.469 -10.906 15.009 1.00 2.40 O ATOM 0 H ASP A 42 -2.955 -11.916 10.908 1.00 0.66 H new ATOM 0 HA ASP A 42 -3.433 -9.290 11.863 1.00 0.74 H new ATOM 0 HB2 ASP A 42 -2.622 -11.807 12.842 1.00 0.92 H new ATOM 0 HB3 ASP A 42 -1.209 -10.799 13.079 1.00 0.92 H new ATOM 655 N ASP A 43 -0.531 -9.801 10.412 1.00 0.54 N ATOM 656 CA ASP A 43 0.579 -9.140 9.732 1.00 0.48 C ATOM 657 C ASP A 43 0.038 -8.111 8.734 1.00 0.48 C ATOM 658 O ASP A 43 0.338 -6.929 8.863 1.00 0.59 O ATOM 659 CB ASP A 43 1.465 -10.173 9.026 1.00 0.40 C ATOM 660 CG ASP A 43 2.262 -11.063 9.975 1.00 1.84 C ATOM 661 OD1 ASP A 43 2.837 -10.518 10.940 1.00 2.44 O ATOM 662 OD2 ASP A 43 2.280 -12.285 9.697 1.00 3.38 O ATOM 0 H ASP A 43 -0.560 -10.808 10.250 1.00 0.54 H new ATOM 0 HA ASP A 43 1.190 -8.621 10.470 1.00 0.48 H new ATOM 0 HB2 ASP A 43 0.838 -10.803 8.395 1.00 0.40 H new ATOM 0 HB3 ASP A 43 2.158 -9.651 8.366 1.00 0.40 H new ATOM 667 N VAL A 44 -0.805 -8.530 7.781 1.00 0.47 N ATOM 668 CA VAL A 44 -1.439 -7.693 6.767 1.00 0.60 C ATOM 669 C VAL A 44 -2.229 -6.523 7.395 1.00 0.62 C ATOM 670 O VAL A 44 -2.183 -5.404 6.879 1.00 0.70 O ATOM 671 CB VAL A 44 -2.305 -8.614 5.883 1.00 0.67 C ATOM 672 CG1 VAL A 44 -3.077 -7.800 4.862 1.00 1.47 C ATOM 673 CG2 VAL A 44 -1.506 -9.673 5.099 1.00 1.33 C ATOM 0 H VAL A 44 -1.073 -9.511 7.697 1.00 0.47 H new ATOM 0 HA VAL A 44 -0.687 -7.206 6.145 1.00 0.60 H new ATOM 0 HB VAL A 44 -2.963 -9.128 6.584 1.00 0.67 H new ATOM 0 HG11 VAL A 44 -3.682 -8.467 4.248 1.00 1.47 H new ATOM 0 HG12 VAL A 44 -3.726 -7.092 5.377 1.00 1.47 H new ATOM 0 HG13 VAL A 44 -2.378 -7.256 4.227 1.00 1.47 H new ATOM 0 HG21 VAL A 44 -2.190 -10.278 4.504 1.00 1.33 H new ATOM 0 HG22 VAL A 44 -0.793 -9.177 4.440 1.00 1.33 H new ATOM 0 HG23 VAL A 44 -0.969 -10.314 5.798 1.00 1.33 H new ATOM 683 N LYS A 45 -2.871 -6.729 8.557 1.00 0.57 N ATOM 684 CA LYS A 45 -3.401 -5.670 9.425 1.00 0.65 C ATOM 685 C LYS A 45 -2.300 -4.688 9.832 1.00 0.67 C ATOM 686 O LYS A 45 -2.430 -3.501 9.529 1.00 0.98 O ATOM 687 CB LYS A 45 -4.188 -6.325 10.586 1.00 0.69 C ATOM 688 CG LYS A 45 -4.088 -5.658 11.962 1.00 1.73 C ATOM 689 CD LYS A 45 -4.838 -4.331 12.141 1.00 2.77 C ATOM 690 CE LYS A 45 -6.319 -4.575 12.454 1.00 2.97 C ATOM 691 NZ LYS A 45 -7.002 -3.326 12.875 1.00 4.41 N ATOM 0 H LYS A 45 -3.039 -7.665 8.927 1.00 0.57 H new ATOM 0 HA LYS A 45 -4.116 -5.042 8.894 1.00 0.65 H new ATOM 0 HB2 LYS A 45 -5.240 -6.361 10.303 1.00 0.69 H new ATOM 0 HB3 LYS A 45 -3.849 -7.356 10.685 1.00 0.69 H new ATOM 0 HG2 LYS A 45 -4.458 -6.361 12.709 1.00 1.73 H new ATOM 0 HG3 LYS A 45 -3.034 -5.485 12.181 1.00 1.73 H new ATOM 0 HD2 LYS A 45 -4.382 -3.757 12.948 1.00 2.77 H new ATOM 0 HD3 LYS A 45 -4.748 -3.733 11.234 1.00 2.77 H new ATOM 0 HE2 LYS A 45 -6.815 -4.982 11.573 1.00 2.97 H new ATOM 0 HE3 LYS A 45 -6.406 -5.322 13.243 1.00 2.97 H new ATOM 0 HZ1 LYS A 45 -8.002 -3.529 13.079 1.00 4.41 H new ATOM 0 HZ2 LYS A 45 -6.544 -2.951 13.730 1.00 4.41 H new ATOM 0 HZ3 LYS A 45 -6.940 -2.622 12.112 1.00 4.41 H new ATOM 705 N LYS A 46 -1.226 -5.140 10.499 1.00 0.40 N ATOM 706 CA LYS A 46 -0.136 -4.251 10.932 1.00 0.38 C ATOM 707 C LYS A 46 0.612 -3.602 9.756 1.00 0.44 C ATOM 708 O LYS A 46 1.211 -2.544 9.968 1.00 0.56 O ATOM 709 CB LYS A 46 0.846 -4.973 11.871 1.00 0.37 C ATOM 710 CG LYS A 46 0.518 -4.843 13.368 1.00 0.91 C ATOM 711 CD LYS A 46 -0.541 -5.814 13.910 1.00 1.54 C ATOM 712 CE LYS A 46 0.101 -6.955 14.709 1.00 1.54 C ATOM 713 NZ LYS A 46 -0.903 -7.677 15.522 1.00 1.92 N ATOM 0 H LYS A 46 -1.089 -6.119 10.751 1.00 0.40 H new ATOM 0 HA LYS A 46 -0.612 -3.444 11.488 1.00 0.38 H new ATOM 0 HB2 LYS A 46 0.867 -6.031 11.608 1.00 0.37 H new ATOM 0 HB3 LYS A 46 1.848 -4.581 11.697 1.00 0.37 H new ATOM 0 HG2 LYS A 46 1.438 -4.986 13.935 1.00 0.91 H new ATOM 0 HG3 LYS A 46 0.180 -3.824 13.559 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -1.242 -5.272 14.545 1.00 1.54 H new ATOM 0 HD3 LYS A 46 -1.116 -6.227 13.081 1.00 1.54 H new ATOM 0 HE2 LYS A 46 0.587 -7.651 14.025 1.00 1.54 H new ATOM 0 HE3 LYS A 46 0.878 -6.553 15.360 1.00 1.54 H new ATOM 0 HZ1 LYS A 46 -0.421 -8.223 16.264 1.00 1.92 H new ATOM 0 HZ2 LYS A 46 -1.551 -6.993 15.961 1.00 1.92 H new ATOM 0 HZ3 LYS A 46 -1.443 -8.323 14.912 1.00 1.92 H new ATOM 727 N VAL A 47 0.553 -4.193 8.556 1.00 0.42 N ATOM 728 CA VAL A 47 0.970 -3.610 7.273 1.00 0.41 C ATOM 729 C VAL A 47 0.073 -2.431 6.879 1.00 0.41 C ATOM 730 O VAL A 47 0.570 -1.305 6.838 1.00 0.39 O ATOM 731 CB VAL A 47 1.070 -4.669 6.158 1.00 0.60 C ATOM 732 CG1 VAL A 47 1.423 -4.031 4.814 1.00 0.66 C ATOM 733 CG2 VAL A 47 2.157 -5.718 6.417 1.00 0.77 C ATOM 0 H VAL A 47 0.194 -5.142 8.447 1.00 0.42 H new ATOM 0 HA VAL A 47 1.977 -3.216 7.408 1.00 0.41 H new ATOM 0 HB VAL A 47 0.087 -5.141 6.143 1.00 0.60 H new ATOM 0 HG11 VAL A 47 1.486 -4.805 4.049 1.00 0.66 H new ATOM 0 HG12 VAL A 47 0.652 -3.311 4.539 1.00 0.66 H new ATOM 0 HG13 VAL A 47 2.383 -3.521 4.894 1.00 0.66 H new ATOM 0 HG21 VAL A 47 2.175 -6.434 5.595 1.00 0.77 H new ATOM 0 HG22 VAL A 47 3.127 -5.226 6.491 1.00 0.77 H new ATOM 0 HG23 VAL A 47 1.943 -6.241 7.349 1.00 0.77 H new ATOM 743 N PHE A 48 -1.235 -2.637 6.646 1.00 0.50 N ATOM 744 CA PHE A 48 -2.181 -1.558 6.344 1.00 0.58 C ATOM 745 C PHE A 48 -2.083 -0.403 7.359 1.00 0.54 C ATOM 746 O PHE A 48 -1.999 0.769 6.989 1.00 0.53 O ATOM 747 CB PHE A 48 -3.594 -2.158 6.304 1.00 0.72 C ATOM 748 CG PHE A 48 -4.689 -1.116 6.342 1.00 0.67 C ATOM 749 CD1 PHE A 48 -4.883 -0.260 5.243 1.00 1.94 C ATOM 750 CD2 PHE A 48 -5.470 -0.959 7.504 1.00 1.54 C ATOM 751 CE1 PHE A 48 -5.859 0.746 5.308 1.00 1.93 C ATOM 752 CE2 PHE A 48 -6.461 0.034 7.556 1.00 1.60 C ATOM 753 CZ PHE A 48 -6.651 0.885 6.456 1.00 0.79 C ATOM 0 H PHE A 48 -1.664 -3.562 6.663 1.00 0.50 H new ATOM 0 HA PHE A 48 -1.937 -1.123 5.375 1.00 0.58 H new ATOM 0 HB2 PHE A 48 -3.702 -2.755 5.399 1.00 0.72 H new ATOM 0 HB3 PHE A 48 -3.717 -2.835 7.149 1.00 0.72 H new ATOM 0 HD1 PHE A 48 -4.283 -0.377 4.353 1.00 1.94 H new ATOM 0 HD2 PHE A 48 -5.306 -1.603 8.355 1.00 1.54 H new ATOM 0 HE1 PHE A 48 -6.000 1.415 4.472 1.00 1.93 H new ATOM 0 HE2 PHE A 48 -7.074 0.143 8.438 1.00 1.60 H new ATOM 0 HZ PHE A 48 -7.411 1.651 6.494 1.00 0.79 H new ATOM 763 N HIS A 49 -2.006 -0.759 8.645 1.00 0.54 N ATOM 764 CA HIS A 49 -1.935 0.144 9.793 1.00 0.58 C ATOM 765 C HIS A 49 -0.620 0.954 9.867 1.00 0.49 C ATOM 766 O HIS A 49 -0.486 1.831 10.728 1.00 0.79 O ATOM 767 CB HIS A 49 -2.158 -0.722 11.046 1.00 0.87 C ATOM 768 CG HIS A 49 -2.690 -0.010 12.255 1.00 1.12 C ATOM 769 ND1 HIS A 49 -2.407 1.277 12.636 1.00 2.04 N ATOM 770 CD2 HIS A 49 -3.566 -0.535 13.164 1.00 2.27 C ATOM 771 CE1 HIS A 49 -3.111 1.522 13.757 1.00 2.50 C ATOM 772 NE2 HIS A 49 -3.824 0.446 14.118 1.00 2.60 N ATOM 0 H HIS A 49 -1.991 -1.739 8.926 1.00 0.54 H new ATOM 0 HA HIS A 49 -2.704 0.912 9.703 1.00 0.58 H new ATOM 0 HB2 HIS A 49 -2.849 -1.525 10.789 1.00 0.87 H new ATOM 0 HB3 HIS A 49 -1.210 -1.190 11.313 1.00 0.87 H new ATOM 0 HD1 HIS A 49 -1.781 1.926 12.160 1.00 2.04 H new ATOM 0 HD2 HIS A 49 -3.983 -1.531 13.145 1.00 2.27 H new ATOM 0 HE1 HIS A 49 -3.102 2.459 14.293 1.00 2.50 H new ATOM 780 N MET A 50 0.347 0.672 8.980 1.00 0.38 N ATOM 781 CA MET A 50 1.598 1.413 8.828 1.00 0.40 C ATOM 782 C MET A 50 1.503 2.523 7.768 1.00 0.37 C ATOM 783 O MET A 50 2.075 3.591 7.967 1.00 0.49 O ATOM 784 CB MET A 50 2.728 0.433 8.468 1.00 0.46 C ATOM 785 CG MET A 50 4.034 0.700 9.230 1.00 0.96 C ATOM 786 SD MET A 50 4.615 2.419 9.352 1.00 1.59 S ATOM 787 CE MET A 50 4.786 2.579 11.139 1.00 1.75 C ATOM 0 H MET A 50 0.271 -0.108 8.327 1.00 0.38 H new ATOM 0 HA MET A 50 1.810 1.903 9.778 1.00 0.40 H new ATOM 0 HB2 MET A 50 2.396 -0.584 8.676 1.00 0.46 H new ATOM 0 HB3 MET A 50 2.922 0.492 7.397 1.00 0.46 H new ATOM 0 HG2 MET A 50 3.914 0.315 10.243 1.00 0.96 H new ATOM 0 HG3 MET A 50 4.822 0.114 8.757 1.00 0.96 H new ATOM 0 HE1 MET A 50 5.253 3.535 11.376 1.00 1.75 H new ATOM 0 HE2 MET A 50 3.802 2.530 11.605 1.00 1.75 H new ATOM 0 HE3 MET A 50 5.407 1.768 11.519 1.00 1.75 H new ATOM 797 N LEU A 51 0.769 2.324 6.663 1.00 0.40 N ATOM 798 CA LEU A 51 0.543 3.383 5.663 1.00 0.48 C ATOM 799 C LEU A 51 -0.326 4.505 6.234 1.00 0.52 C ATOM 800 O LEU A 51 -0.128 5.669 5.898 1.00 0.60 O ATOM 801 CB LEU A 51 -0.145 2.816 4.420 1.00 0.64 C ATOM 802 CG LEU A 51 0.554 1.701 3.617 1.00 0.92 C ATOM 803 CD1 LEU A 51 2.019 1.438 3.970 1.00 2.46 C ATOM 804 CD2 LEU A 51 -0.226 0.391 3.745 1.00 1.54 C ATOM 0 H LEU A 51 0.320 1.437 6.437 1.00 0.40 H new ATOM 0 HA LEU A 51 1.520 3.785 5.393 1.00 0.48 H new ATOM 0 HB2 LEU A 51 -1.119 2.437 4.728 1.00 0.64 H new ATOM 0 HB3 LEU A 51 -0.327 3.647 3.738 1.00 0.64 H new ATOM 0 HG LEU A 51 0.561 2.075 2.593 1.00 0.92 H new ATOM 0 HD11 LEU A 51 2.406 0.635 3.343 1.00 2.46 H new ATOM 0 HD12 LEU A 51 2.602 2.343 3.801 1.00 2.46 H new ATOM 0 HD13 LEU A 51 2.094 1.148 5.018 1.00 2.46 H new ATOM 0 HD21 LEU A 51 0.277 -0.389 3.174 1.00 1.54 H new ATOM 0 HD22 LEU A 51 -0.276 0.098 4.794 1.00 1.54 H new ATOM 0 HD23 LEU A 51 -1.236 0.530 3.359 1.00 1.54 H new ATOM 816 N ASP A 52 -1.247 4.145 7.133 1.00 0.53 N ATOM 817 CA ASP A 52 -1.996 5.066 7.972 1.00 0.67 C ATOM 818 C ASP A 52 -1.046 6.026 8.717 1.00 0.83 C ATOM 819 O ASP A 52 -0.267 5.617 9.586 1.00 1.59 O ATOM 820 CB ASP A 52 -2.881 4.243 8.923 1.00 0.99 C ATOM 821 CG ASP A 52 -3.848 5.111 9.723 1.00 1.47 C ATOM 822 OD1 ASP A 52 -3.693 6.352 9.698 1.00 2.35 O ATOM 823 OD2 ASP A 52 -4.762 4.543 10.355 1.00 2.04 O ATOM 0 H ASP A 52 -1.495 3.169 7.297 1.00 0.53 H new ATOM 0 HA ASP A 52 -2.641 5.700 7.364 1.00 0.67 H new ATOM 0 HB2 ASP A 52 -3.447 3.512 8.345 1.00 0.99 H new ATOM 0 HB3 ASP A 52 -2.247 3.683 9.611 1.00 0.99 H new ATOM 828 N LYS A 53 -1.080 7.313 8.349 1.00 0.62 N ATOM 829 CA LYS A 53 -0.183 8.350 8.875 1.00 0.79 C ATOM 830 C LYS A 53 -0.874 9.330 9.834 1.00 0.95 C ATOM 831 O LYS A 53 -0.235 10.286 10.266 1.00 1.62 O ATOM 832 CB LYS A 53 0.563 9.026 7.706 1.00 0.88 C ATOM 833 CG LYS A 53 2.093 8.937 7.821 1.00 1.42 C ATOM 834 CD LYS A 53 2.679 7.544 7.499 1.00 1.67 C ATOM 835 CE LYS A 53 3.322 6.867 8.717 1.00 3.04 C ATOM 836 NZ LYS A 53 2.437 5.862 9.347 1.00 4.89 N ATOM 0 H LYS A 53 -1.745 7.670 7.663 1.00 0.62 H new ATOM 0 HA LYS A 53 0.563 7.872 9.510 1.00 0.79 H new ATOM 0 HB2 LYS A 53 0.250 8.564 6.770 1.00 0.88 H new ATOM 0 HB3 LYS A 53 0.271 10.075 7.657 1.00 0.88 H new ATOM 0 HG2 LYS A 53 2.539 9.669 7.148 1.00 1.42 H new ATOM 0 HG3 LYS A 53 2.386 9.215 8.833 1.00 1.42 H new ATOM 0 HD2 LYS A 53 1.887 6.904 7.111 1.00 1.67 H new ATOM 0 HD3 LYS A 53 3.424 7.643 6.710 1.00 1.67 H new ATOM 0 HE2 LYS A 53 4.251 6.386 8.411 1.00 3.04 H new ATOM 0 HE3 LYS A 53 3.584 7.627 9.453 1.00 3.04 H new ATOM 0 HZ1 LYS A 53 2.630 5.821 10.368 1.00 4.89 H new ATOM 0 HZ2 LYS A 53 1.444 6.129 9.192 1.00 4.89 H new ATOM 0 HZ3 LYS A 53 2.615 4.929 8.924 1.00 4.89 H new ATOM 850 N ASP A 54 -2.118 9.042 10.239 1.00 0.70 N ATOM 851 CA ASP A 54 -2.846 9.795 11.278 1.00 0.86 C ATOM 852 C ASP A 54 -3.354 8.902 12.420 1.00 0.98 C ATOM 853 O ASP A 54 -3.389 9.359 13.561 1.00 1.40 O ATOM 854 CB ASP A 54 -3.983 10.637 10.673 1.00 1.05 C ATOM 855 CG ASP A 54 -5.300 9.874 10.482 1.00 1.40 C ATOM 856 OD1 ASP A 54 -5.286 8.777 9.866 1.00 1.42 O ATOM 857 OD2 ASP A 54 -6.335 10.355 10.980 1.00 2.58 O ATOM 0 H ASP A 54 -2.658 8.269 9.851 1.00 0.70 H new ATOM 0 HA ASP A 54 -2.123 10.479 11.722 1.00 0.86 H new ATOM 0 HB2 ASP A 54 -4.165 11.497 11.317 1.00 1.05 H new ATOM 0 HB3 ASP A 54 -3.658 11.025 9.708 1.00 1.05 H new ATOM 862 N LYS A 55 -3.695 7.641 12.103 1.00 0.86 N ATOM 863 CA LYS A 55 -4.061 6.492 12.935 1.00 0.97 C ATOM 864 C LYS A 55 -5.578 6.198 12.892 1.00 0.92 C ATOM 865 O LYS A 55 -6.085 5.479 13.752 1.00 1.42 O ATOM 866 CB LYS A 55 -3.457 6.589 14.353 1.00 1.26 C ATOM 867 CG LYS A 55 -3.259 5.201 14.975 1.00 1.85 C ATOM 868 CD LYS A 55 -1.787 4.803 15.170 1.00 1.88 C ATOM 869 CE LYS A 55 -1.074 4.614 13.824 1.00 1.83 C ATOM 870 NZ LYS A 55 0.283 4.046 14.002 1.00 2.42 N ATOM 0 H LYS A 55 -3.722 7.373 11.119 1.00 0.86 H new ATOM 0 HA LYS A 55 -3.601 5.605 12.499 1.00 0.97 H new ATOM 0 HB2 LYS A 55 -2.500 7.108 14.307 1.00 1.26 H new ATOM 0 HB3 LYS A 55 -4.112 7.184 14.989 1.00 1.26 H new ATOM 0 HG2 LYS A 55 -3.763 5.173 15.941 1.00 1.85 H new ATOM 0 HG3 LYS A 55 -3.744 4.458 14.341 1.00 1.85 H new ATOM 0 HD2 LYS A 55 -1.275 5.571 15.750 1.00 1.88 H new ATOM 0 HD3 LYS A 55 -1.732 3.879 15.745 1.00 1.88 H new ATOM 0 HE2 LYS A 55 -1.665 3.955 13.188 1.00 1.83 H new ATOM 0 HE3 LYS A 55 -1.003 5.573 13.311 1.00 1.83 H new ATOM 0 HZ1 LYS A 55 0.736 3.932 13.073 1.00 2.42 H new ATOM 0 HZ2 LYS A 55 0.854 4.688 14.589 1.00 2.42 H new ATOM 0 HZ3 LYS A 55 0.213 3.120 14.469 1.00 2.42 H new ATOM 884 N SER A 56 -6.312 6.740 11.906 1.00 0.56 N ATOM 885 CA SER A 56 -7.770 6.585 11.781 1.00 0.52 C ATOM 886 C SER A 56 -8.281 5.176 11.440 1.00 0.60 C ATOM 887 O SER A 56 -9.478 4.934 11.591 1.00 0.69 O ATOM 888 CB SER A 56 -8.324 7.559 10.732 1.00 0.59 C ATOM 889 OG SER A 56 -7.967 7.182 9.408 1.00 0.84 O ATOM 0 H SER A 56 -5.903 7.306 11.163 1.00 0.56 H new ATOM 0 HA SER A 56 -8.134 6.801 12.785 1.00 0.52 H new ATOM 0 HB2 SER A 56 -9.410 7.601 10.816 1.00 0.59 H new ATOM 0 HB3 SER A 56 -7.949 8.562 10.936 1.00 0.59 H new ATOM 0 HG SER A 56 -7.855 7.985 8.858 1.00 0.84 H new ATOM 895 N GLY A 57 -7.436 4.256 10.954 1.00 0.68 N ATOM 896 CA GLY A 57 -7.877 2.956 10.436 1.00 0.74 C ATOM 897 C GLY A 57 -8.368 2.996 8.981 1.00 0.64 C ATOM 898 O GLY A 57 -8.915 2.006 8.499 1.00 0.70 O ATOM 0 H GLY A 57 -6.426 4.394 10.910 1.00 0.68 H new ATOM 0 HA2 GLY A 57 -7.052 2.248 10.511 1.00 0.74 H new ATOM 0 HA3 GLY A 57 -8.680 2.578 11.069 1.00 0.74 H new ATOM 902 N PHE A 58 -8.158 4.116 8.279 1.00 0.58 N ATOM 903 CA PHE A 58 -8.498 4.341 6.869 1.00 0.58 C ATOM 904 C PHE A 58 -7.308 4.975 6.142 1.00 0.71 C ATOM 905 O PHE A 58 -6.478 5.661 6.758 1.00 1.31 O ATOM 906 CB PHE A 58 -9.725 5.269 6.789 1.00 0.63 C ATOM 907 CG PHE A 58 -10.887 4.875 7.686 1.00 0.72 C ATOM 908 CD1 PHE A 58 -11.602 3.686 7.447 1.00 1.39 C ATOM 909 CD2 PHE A 58 -11.219 5.673 8.799 1.00 2.30 C ATOM 910 CE1 PHE A 58 -12.631 3.293 8.322 1.00 1.39 C ATOM 911 CE2 PHE A 58 -12.245 5.280 9.674 1.00 2.52 C ATOM 912 CZ PHE A 58 -12.951 4.088 9.437 1.00 1.24 C ATOM 0 H PHE A 58 -7.722 4.935 8.703 1.00 0.58 H new ATOM 0 HA PHE A 58 -8.732 3.390 6.391 1.00 0.58 H new ATOM 0 HB2 PHE A 58 -9.414 6.281 7.047 1.00 0.63 H new ATOM 0 HB3 PHE A 58 -10.075 5.296 5.757 1.00 0.63 H new ATOM 0 HD1 PHE A 58 -11.360 3.074 6.590 1.00 1.39 H new ATOM 0 HD2 PHE A 58 -10.681 6.592 8.980 1.00 2.30 H new ATOM 0 HE1 PHE A 58 -13.176 2.379 8.137 1.00 1.39 H new ATOM 0 HE2 PHE A 58 -12.491 5.893 10.528 1.00 2.52 H new ATOM 0 HZ PHE A 58 -13.738 3.783 10.110 1.00 1.24 H new ATOM 922 N ILE A 59 -7.270 4.801 4.816 1.00 0.29 N ATOM 923 CA ILE A 59 -6.392 5.575 3.927 1.00 0.28 C ATOM 924 C ILE A 59 -7.256 6.339 2.922 1.00 0.33 C ATOM 925 O ILE A 59 -8.115 5.764 2.254 1.00 0.39 O ATOM 926 CB ILE A 59 -5.344 4.675 3.251 1.00 0.33 C ATOM 927 CG1 ILE A 59 -4.402 4.029 4.286 1.00 0.59 C ATOM 928 CG2 ILE A 59 -4.532 5.439 2.187 1.00 0.53 C ATOM 929 CD1 ILE A 59 -3.621 2.863 3.679 1.00 0.80 C ATOM 0 H ILE A 59 -7.848 4.118 4.327 1.00 0.29 H new ATOM 0 HA ILE A 59 -5.823 6.300 4.509 1.00 0.28 H new ATOM 0 HB ILE A 59 -5.892 3.880 2.746 1.00 0.33 H new ATOM 0 HG12 ILE A 59 -3.706 4.778 4.664 1.00 0.59 H new ATOM 0 HG13 ILE A 59 -4.983 3.675 5.138 1.00 0.59 H new ATOM 0 HG21 ILE A 59 -3.803 4.767 1.734 1.00 0.53 H new ATOM 0 HG22 ILE A 59 -5.205 5.817 1.417 1.00 0.53 H new ATOM 0 HG23 ILE A 59 -4.013 6.275 2.656 1.00 0.53 H new ATOM 0 HD11 ILE A 59 -2.966 2.430 4.436 1.00 0.80 H new ATOM 0 HD12 ILE A 59 -4.318 2.103 3.325 1.00 0.80 H new ATOM 0 HD13 ILE A 59 -3.021 3.223 2.843 1.00 0.80 H new ATOM 941 N GLU A 60 -7.000 7.643 2.873 1.00 0.41 N ATOM 942 CA GLU A 60 -7.720 8.759 2.267 1.00 0.62 C ATOM 943 C GLU A 60 -6.743 9.570 1.389 1.00 0.63 C ATOM 944 O GLU A 60 -5.527 9.498 1.592 1.00 0.59 O ATOM 945 CB GLU A 60 -8.301 9.682 3.374 1.00 0.83 C ATOM 946 CG GLU A 60 -8.522 9.107 4.798 1.00 1.66 C ATOM 947 CD GLU A 60 -7.234 8.853 5.611 1.00 1.88 C ATOM 948 OE1 GLU A 60 -6.123 8.905 5.042 1.00 2.26 O ATOM 949 OE2 GLU A 60 -7.308 8.487 6.818 1.00 3.17 O ATOM 0 H GLU A 60 -6.155 7.991 3.326 1.00 0.41 H new ATOM 0 HA GLU A 60 -8.538 8.373 1.659 1.00 0.62 H new ATOM 0 HB2 GLU A 60 -7.637 10.542 3.466 1.00 0.83 H new ATOM 0 HB3 GLU A 60 -9.261 10.057 3.019 1.00 0.83 H new ATOM 0 HG2 GLU A 60 -9.155 9.796 5.357 1.00 1.66 H new ATOM 0 HG3 GLU A 60 -9.070 8.169 4.713 1.00 1.66 H new ATOM 956 N GLU A 61 -7.253 10.354 0.425 1.00 0.77 N ATOM 957 CA GLU A 61 -6.427 10.920 -0.658 1.00 0.81 C ATOM 958 C GLU A 61 -5.246 11.812 -0.218 1.00 0.83 C ATOM 959 O GLU A 61 -4.233 11.833 -0.915 1.00 0.92 O ATOM 960 CB GLU A 61 -7.294 11.548 -1.762 1.00 0.96 C ATOM 961 CG GLU A 61 -8.027 12.847 -1.395 1.00 1.39 C ATOM 962 CD GLU A 61 -7.582 14.006 -2.297 1.00 1.64 C ATOM 963 OE1 GLU A 61 -8.006 14.010 -3.476 1.00 2.49 O ATOM 964 OE2 GLU A 61 -6.813 14.862 -1.811 1.00 2.69 O ATOM 0 H GLU A 61 -8.238 10.612 0.373 1.00 0.77 H new ATOM 0 HA GLU A 61 -5.914 10.060 -1.088 1.00 0.81 H new ATOM 0 HB2 GLU A 61 -6.658 11.746 -2.625 1.00 0.96 H new ATOM 0 HB3 GLU A 61 -8.036 10.813 -2.074 1.00 0.96 H new ATOM 0 HG2 GLU A 61 -9.103 12.700 -1.490 1.00 1.39 H new ATOM 0 HG3 GLU A 61 -7.830 13.097 -0.352 1.00 1.39 H new ATOM 971 N ASP A 62 -5.313 12.440 0.966 1.00 0.76 N ATOM 972 CA ASP A 62 -4.201 13.141 1.621 1.00 0.77 C ATOM 973 C ASP A 62 -2.974 12.238 1.850 1.00 0.73 C ATOM 974 O ASP A 62 -1.881 12.520 1.358 1.00 0.89 O ATOM 975 CB ASP A 62 -4.681 13.698 2.972 1.00 0.76 C ATOM 976 CG ASP A 62 -5.767 14.762 2.820 1.00 2.32 C ATOM 977 OD1 ASP A 62 -6.950 14.352 2.776 1.00 3.71 O ATOM 978 OD2 ASP A 62 -5.399 15.958 2.777 1.00 2.97 O ATOM 0 H ASP A 62 -6.174 12.474 1.512 1.00 0.76 H new ATOM 0 HA ASP A 62 -3.888 13.945 0.955 1.00 0.77 H new ATOM 0 HB2 ASP A 62 -5.063 12.880 3.582 1.00 0.76 H new ATOM 0 HB3 ASP A 62 -3.832 14.125 3.506 1.00 0.76 H new ATOM 983 N GLU A 63 -3.140 11.147 2.610 1.00 0.68 N ATOM 984 CA GLU A 63 -2.076 10.173 2.901 1.00 0.70 C ATOM 985 C GLU A 63 -1.726 9.349 1.659 1.00 0.62 C ATOM 986 O GLU A 63 -0.590 8.895 1.499 1.00 0.63 O ATOM 987 CB GLU A 63 -2.524 9.269 4.064 1.00 0.89 C ATOM 988 CG GLU A 63 -2.244 9.984 5.392 1.00 1.02 C ATOM 989 CD GLU A 63 -3.101 9.501 6.567 1.00 1.43 C ATOM 990 OE1 GLU A 63 -3.255 8.270 6.801 1.00 1.53 O ATOM 991 OE2 GLU A 63 -3.615 10.379 7.284 1.00 2.90 O ATOM 0 H GLU A 63 -4.031 10.912 3.047 1.00 0.68 H new ATOM 0 HA GLU A 63 -1.172 10.707 3.193 1.00 0.70 H new ATOM 0 HB2 GLU A 63 -3.586 9.042 3.976 1.00 0.89 H new ATOM 0 HB3 GLU A 63 -1.991 8.319 4.029 1.00 0.89 H new ATOM 0 HG2 GLU A 63 -1.193 9.851 5.647 1.00 1.02 H new ATOM 0 HG3 GLU A 63 -2.406 11.053 5.256 1.00 1.02 H new ATOM 998 N LEU A 64 -2.697 9.205 0.751 1.00 0.64 N ATOM 999 CA LEU A 64 -2.578 8.442 -0.478 1.00 0.64 C ATOM 1000 C LEU A 64 -1.462 8.924 -1.419 1.00 0.58 C ATOM 1001 O LEU A 64 -0.978 8.133 -2.224 1.00 0.71 O ATOM 1002 CB LEU A 64 -3.945 8.416 -1.158 1.00 0.68 C ATOM 1003 CG LEU A 64 -4.154 7.172 -2.025 1.00 0.60 C ATOM 1004 CD1 LEU A 64 -5.520 6.540 -1.726 1.00 1.09 C ATOM 1005 CD2 LEU A 64 -4.115 7.557 -3.491 1.00 1.01 C ATOM 0 H LEU A 64 -3.615 9.634 0.863 1.00 0.64 H new ATOM 0 HA LEU A 64 -2.269 7.430 -0.219 1.00 0.64 H new ATOM 0 HB2 LEU A 64 -4.725 8.458 -0.397 1.00 0.68 H new ATOM 0 HB3 LEU A 64 -4.055 9.307 -1.777 1.00 0.68 H new ATOM 0 HG LEU A 64 -3.361 6.459 -1.801 1.00 0.60 H new ATOM 0 HD11 LEU A 64 -5.656 5.656 -2.349 1.00 1.09 H new ATOM 0 HD12 LEU A 64 -5.566 6.254 -0.675 1.00 1.09 H new ATOM 0 HD13 LEU A 64 -6.309 7.261 -1.941 1.00 1.09 H new ATOM 0 HD21 LEU A 64 -4.264 6.669 -4.105 1.00 1.01 H new ATOM 0 HD22 LEU A 64 -4.905 8.278 -3.699 1.00 1.01 H new ATOM 0 HD23 LEU A 64 -3.147 8.001 -3.725 1.00 1.01 H new ATOM 1017 N GLY A 65 -1.002 10.175 -1.285 1.00 0.48 N ATOM 1018 CA GLY A 65 0.098 10.726 -2.080 1.00 0.43 C ATOM 1019 C GLY A 65 1.488 10.147 -1.776 1.00 0.39 C ATOM 1020 O GLY A 65 2.404 10.391 -2.560 1.00 0.57 O ATOM 0 H GLY A 65 -1.389 10.838 -0.614 1.00 0.48 H new ATOM 0 HA2 GLY A 65 -0.122 10.562 -3.135 1.00 0.43 H new ATOM 0 HA3 GLY A 65 0.131 11.804 -1.925 1.00 0.43 H new ATOM 1024 N PHE A 66 1.673 9.405 -0.670 1.00 0.34 N ATOM 1025 CA PHE A 66 2.969 8.820 -0.282 1.00 0.38 C ATOM 1026 C PHE A 66 2.833 7.605 0.666 1.00 0.38 C ATOM 1027 O PHE A 66 3.607 7.448 1.611 1.00 0.48 O ATOM 1028 CB PHE A 66 3.904 9.923 0.269 1.00 0.40 C ATOM 1029 CG PHE A 66 3.378 10.747 1.434 1.00 0.40 C ATOM 1030 CD1 PHE A 66 2.590 11.889 1.192 1.00 1.58 C ATOM 1031 CD2 PHE A 66 3.715 10.410 2.759 1.00 1.37 C ATOM 1032 CE1 PHE A 66 2.127 12.671 2.265 1.00 1.67 C ATOM 1033 CE2 PHE A 66 3.265 11.198 3.833 1.00 1.40 C ATOM 1034 CZ PHE A 66 2.468 12.329 3.585 1.00 0.73 C ATOM 0 H PHE A 66 0.921 9.193 -0.015 1.00 0.34 H new ATOM 0 HA PHE A 66 3.431 8.408 -1.179 1.00 0.38 H new ATOM 0 HB2 PHE A 66 4.838 9.454 0.579 1.00 0.40 H new ATOM 0 HB3 PHE A 66 4.145 10.604 -0.548 1.00 0.40 H new ATOM 0 HD1 PHE A 66 2.340 12.165 0.178 1.00 1.58 H new ATOM 0 HD2 PHE A 66 4.324 9.539 2.952 1.00 1.37 H new ATOM 0 HE1 PHE A 66 1.508 13.536 2.075 1.00 1.67 H new ATOM 0 HE2 PHE A 66 3.531 10.935 4.846 1.00 1.40 H new ATOM 0 HZ PHE A 66 2.118 12.935 4.408 1.00 0.73 H new ATOM 1044 N ILE A 67 1.879 6.695 0.397 1.00 0.41 N ATOM 1045 CA ILE A 67 1.539 5.522 1.236 1.00 0.35 C ATOM 1046 C ILE A 67 2.774 4.692 1.568 1.00 0.36 C ATOM 1047 O ILE A 67 2.957 4.248 2.699 1.00 0.39 O ATOM 1048 CB ILE A 67 0.380 4.706 0.616 1.00 0.51 C ATOM 1049 CG1 ILE A 67 0.748 3.923 -0.655 1.00 1.60 C ATOM 1050 CG2 ILE A 67 -0.794 5.618 0.295 1.00 1.85 C ATOM 1051 CD1 ILE A 67 1.166 2.513 -0.267 1.00 0.79 C ATOM 0 H ILE A 67 1.300 6.755 -0.441 1.00 0.41 H new ATOM 0 HA ILE A 67 1.167 5.881 2.196 1.00 0.35 H new ATOM 0 HB ILE A 67 0.122 3.969 1.376 1.00 0.51 H new ATOM 0 HG12 ILE A 67 -0.103 3.889 -1.335 1.00 1.60 H new ATOM 0 HG13 ILE A 67 1.559 4.424 -1.184 1.00 1.60 H new ATOM 0 HG21 ILE A 67 -1.602 5.031 -0.141 1.00 1.85 H new ATOM 0 HG22 ILE A 67 -1.145 6.095 1.210 1.00 1.85 H new ATOM 0 HG23 ILE A 67 -0.478 6.382 -0.415 1.00 1.85 H new ATOM 0 HD11 ILE A 67 1.428 1.952 -1.164 1.00 0.79 H new ATOM 0 HD12 ILE A 67 2.029 2.559 0.398 1.00 0.79 H new ATOM 0 HD13 ILE A 67 0.341 2.016 0.243 1.00 0.79 H new ATOM 1063 N LEU A 68 3.670 4.565 0.589 1.00 0.40 N ATOM 1064 CA LEU A 68 4.921 3.833 0.700 1.00 0.48 C ATOM 1065 C LEU A 68 5.814 4.276 1.853 1.00 0.45 C ATOM 1066 O LEU A 68 6.583 3.450 2.345 1.00 0.48 O ATOM 1067 CB LEU A 68 5.677 3.944 -0.624 1.00 0.60 C ATOM 1068 CG LEU A 68 5.135 2.996 -1.697 1.00 1.03 C ATOM 1069 CD1 LEU A 68 4.712 3.797 -2.922 1.00 1.28 C ATOM 1070 CD2 LEU A 68 6.232 1.973 -2.032 1.00 1.89 C ATOM 0 H LEU A 68 3.536 4.984 -0.331 1.00 0.40 H new ATOM 0 HA LEU A 68 4.659 2.799 0.922 1.00 0.48 H new ATOM 0 HB2 LEU A 68 5.616 4.970 -0.987 1.00 0.60 H new ATOM 0 HB3 LEU A 68 6.732 3.728 -0.454 1.00 0.60 H new ATOM 0 HG LEU A 68 4.255 2.462 -1.339 1.00 1.03 H new ATOM 0 HD11 LEU A 68 4.327 3.120 -3.684 1.00 1.28 H new ATOM 0 HD12 LEU A 68 3.935 4.508 -2.641 1.00 1.28 H new ATOM 0 HD13 LEU A 68 5.572 4.337 -3.318 1.00 1.28 H new ATOM 0 HD21 LEU A 68 5.868 1.286 -2.796 1.00 1.89 H new ATOM 0 HD22 LEU A 68 7.114 2.494 -2.404 1.00 1.89 H new ATOM 0 HD23 LEU A 68 6.493 1.412 -1.134 1.00 1.89 H new ATOM 1082 N LYS A 69 5.699 5.523 2.334 1.00 0.44 N ATOM 1083 CA LYS A 69 6.484 6.011 3.473 1.00 0.50 C ATOM 1084 C LYS A 69 6.112 5.294 4.782 1.00 0.53 C ATOM 1085 O LYS A 69 6.852 5.408 5.757 1.00 0.66 O ATOM 1086 CB LYS A 69 6.362 7.545 3.570 1.00 0.61 C ATOM 1087 CG LYS A 69 7.706 8.290 3.586 1.00 0.62 C ATOM 1088 CD LYS A 69 8.555 8.043 4.841 1.00 1.67 C ATOM 1089 CE LYS A 69 9.865 8.842 4.800 1.00 1.71 C ATOM 1090 NZ LYS A 69 9.636 10.308 4.831 1.00 1.96 N ATOM 0 H LYS A 69 5.061 6.217 1.945 1.00 0.44 H new ATOM 0 HA LYS A 69 7.534 5.771 3.304 1.00 0.50 H new ATOM 0 HB2 LYS A 69 5.772 7.904 2.727 1.00 0.61 H new ATOM 0 HB3 LYS A 69 5.810 7.797 4.476 1.00 0.61 H new ATOM 0 HG2 LYS A 69 8.282 7.994 2.709 1.00 0.62 H new ATOM 0 HG3 LYS A 69 7.515 9.359 3.496 1.00 0.62 H new ATOM 0 HD2 LYS A 69 7.985 8.321 5.728 1.00 1.67 H new ATOM 0 HD3 LYS A 69 8.779 6.980 4.927 1.00 1.67 H new ATOM 0 HE2 LYS A 69 10.488 8.557 5.648 1.00 1.71 H new ATOM 0 HE3 LYS A 69 10.417 8.583 3.897 1.00 1.71 H new ATOM 0 HZ1 LYS A 69 10.542 10.798 4.972 1.00 1.96 H new ATOM 0 HZ2 LYS A 69 9.214 10.613 3.930 1.00 1.96 H new ATOM 0 HZ3 LYS A 69 8.991 10.542 5.612 1.00 1.96 H new ATOM 1104 N GLY A 70 5.018 4.515 4.791 1.00 0.46 N ATOM 1105 CA GLY A 70 4.711 3.537 5.834 1.00 0.52 C ATOM 1106 C GLY A 70 5.239 2.119 5.569 1.00 0.63 C ATOM 1107 O GLY A 70 5.385 1.350 6.512 1.00 1.05 O ATOM 0 H GLY A 70 4.311 4.552 4.056 1.00 0.46 H new ATOM 0 HA2 GLY A 70 5.125 3.892 6.778 1.00 0.52 H new ATOM 0 HA3 GLY A 70 3.629 3.488 5.959 1.00 0.52 H new ATOM 1111 N PHE A 71 5.566 1.754 4.324 1.00 0.42 N ATOM 1112 CA PHE A 71 6.312 0.525 4.054 1.00 0.49 C ATOM 1113 C PHE A 71 7.799 0.716 4.382 1.00 0.57 C ATOM 1114 O PHE A 71 8.355 -0.100 5.115 1.00 0.83 O ATOM 1115 CB PHE A 71 6.134 0.056 2.598 1.00 0.47 C ATOM 1116 CG PHE A 71 4.725 -0.321 2.168 1.00 0.50 C ATOM 1117 CD1 PHE A 71 3.954 -1.243 2.906 1.00 1.48 C ATOM 1118 CD2 PHE A 71 4.210 0.187 0.960 1.00 1.66 C ATOM 1119 CE1 PHE A 71 2.676 -1.619 2.445 1.00 1.42 C ATOM 1120 CE2 PHE A 71 2.938 -0.194 0.505 1.00 1.93 C ATOM 1121 CZ PHE A 71 2.163 -1.093 1.250 1.00 1.02 C ATOM 0 H PHE A 71 5.325 2.292 3.491 1.00 0.42 H new ATOM 0 HA PHE A 71 5.907 -0.254 4.700 1.00 0.49 H new ATOM 0 HB2 PHE A 71 6.490 0.848 1.940 1.00 0.47 H new ATOM 0 HB3 PHE A 71 6.781 -0.806 2.437 1.00 0.47 H new ATOM 0 HD1 PHE A 71 4.342 -1.660 3.823 1.00 1.48 H new ATOM 0 HD2 PHE A 71 4.801 0.878 0.377 1.00 1.66 H new ATOM 0 HE1 PHE A 71 2.086 -2.319 3.018 1.00 1.42 H new ATOM 0 HE2 PHE A 71 2.555 0.207 -0.422 1.00 1.93 H new ATOM 0 HZ PHE A 71 1.179 -1.378 0.907 1.00 1.02 H new ATOM 1131 N SER A 72 8.456 1.750 3.823 1.00 0.38 N ATOM 1132 CA SER A 72 9.912 1.930 3.878 1.00 0.33 C ATOM 1133 C SER A 72 10.327 3.282 3.257 1.00 0.40 C ATOM 1134 O SER A 72 9.556 3.850 2.480 1.00 0.57 O ATOM 1135 CB SER A 72 10.522 0.767 3.086 1.00 0.48 C ATOM 1136 OG SER A 72 11.916 0.868 2.897 1.00 1.31 O ATOM 0 H SER A 72 7.979 2.493 3.313 1.00 0.38 H new ATOM 0 HA SER A 72 10.263 1.936 4.910 1.00 0.33 H new ATOM 0 HB2 SER A 72 10.303 -0.166 3.605 1.00 0.48 H new ATOM 0 HB3 SER A 72 10.037 0.711 2.111 1.00 0.48 H new ATOM 0 HG SER A 72 12.234 0.094 2.387 1.00 1.31 H new ATOM 1142 N PRO A 73 11.523 3.828 3.560 1.00 0.37 N ATOM 1143 CA PRO A 73 12.052 5.009 2.877 1.00 0.41 C ATOM 1144 C PRO A 73 12.323 4.805 1.369 1.00 0.39 C ATOM 1145 O PRO A 73 12.289 3.701 0.834 1.00 0.39 O ATOM 1146 CB PRO A 73 13.312 5.404 3.661 1.00 0.43 C ATOM 1147 CG PRO A 73 13.745 4.105 4.338 1.00 0.46 C ATOM 1148 CD PRO A 73 12.413 3.430 4.644 1.00 0.47 C ATOM 0 HA PRO A 73 11.310 5.807 2.875 1.00 0.41 H new ATOM 0 HB2 PRO A 73 14.089 5.789 3.001 1.00 0.43 H new ATOM 0 HB3 PRO A 73 13.100 6.184 4.392 1.00 0.43 H new ATOM 0 HG2 PRO A 73 14.368 3.495 3.684 1.00 0.46 H new ATOM 0 HG3 PRO A 73 14.322 4.293 5.244 1.00 0.46 H new ATOM 0 HD2 PRO A 73 12.522 2.346 4.686 1.00 0.47 H new ATOM 0 HD3 PRO A 73 12.023 3.749 5.611 1.00 0.47 H new ATOM 1156 N ASP A 74 12.547 5.936 0.689 1.00 0.46 N ATOM 1157 CA ASP A 74 12.535 6.160 -0.773 1.00 0.57 C ATOM 1158 C ASP A 74 11.232 5.723 -1.469 1.00 0.58 C ATOM 1159 O ASP A 74 11.174 5.486 -2.670 1.00 0.84 O ATOM 1160 CB ASP A 74 13.829 5.712 -1.477 1.00 0.85 C ATOM 1161 CG ASP A 74 14.089 6.549 -2.749 1.00 1.86 C ATOM 1162 OD1 ASP A 74 14.021 7.803 -2.656 1.00 3.08 O ATOM 1163 OD2 ASP A 74 14.377 5.952 -3.810 1.00 2.53 O ATOM 0 H ASP A 74 12.761 6.800 1.188 1.00 0.46 H new ATOM 0 HA ASP A 74 12.531 7.244 -0.892 1.00 0.57 H new ATOM 0 HB2 ASP A 74 14.672 5.812 -0.793 1.00 0.85 H new ATOM 0 HB3 ASP A 74 13.756 4.657 -1.741 1.00 0.85 H new ATOM 1168 N ALA A 75 10.157 5.724 -0.682 1.00 0.56 N ATOM 1169 CA ALA A 75 8.752 5.717 -1.054 1.00 0.63 C ATOM 1170 C ALA A 75 8.364 6.730 -2.139 1.00 0.83 C ATOM 1171 O ALA A 75 7.652 6.385 -3.080 1.00 1.79 O ATOM 1172 CB ALA A 75 8.032 6.072 0.243 1.00 0.57 C ATOM 0 H ALA A 75 10.265 5.730 0.332 1.00 0.56 H new ATOM 0 HA ALA A 75 8.492 4.750 -1.484 1.00 0.63 H new ATOM 0 HB1 ALA A 75 6.956 6.093 0.068 1.00 0.57 H new ATOM 0 HB2 ALA A 75 8.261 5.325 1.003 1.00 0.57 H new ATOM 0 HB3 ALA A 75 8.363 7.052 0.586 1.00 0.57 H new ATOM 1178 N ARG A 76 8.852 7.970 -1.971 1.00 0.50 N ATOM 1179 CA ARG A 76 8.613 9.170 -2.790 1.00 0.46 C ATOM 1180 C ARG A 76 7.137 9.605 -2.828 1.00 0.43 C ATOM 1181 O ARG A 76 6.246 8.949 -2.288 1.00 0.62 O ATOM 1182 CB ARG A 76 9.231 9.030 -4.206 1.00 0.61 C ATOM 1183 CG ARG A 76 10.401 8.033 -4.296 1.00 0.87 C ATOM 1184 CD ARG A 76 11.309 8.213 -5.513 1.00 1.14 C ATOM 1185 NE ARG A 76 12.466 9.048 -5.154 1.00 1.36 N ATOM 1186 CZ ARG A 76 13.730 8.863 -5.500 1.00 2.02 C ATOM 1187 NH1 ARG A 76 14.080 8.080 -6.492 1.00 3.02 N ATOM 1188 NH2 ARG A 76 14.669 9.460 -4.811 1.00 2.45 N ATOM 0 H ARG A 76 9.477 8.176 -1.192 1.00 0.50 H new ATOM 0 HA ARG A 76 9.135 9.986 -2.290 1.00 0.46 H new ATOM 0 HB2 ARG A 76 8.450 8.718 -4.900 1.00 0.61 H new ATOM 0 HB3 ARG A 76 9.578 10.009 -4.536 1.00 0.61 H new ATOM 0 HG2 ARG A 76 11.006 8.123 -3.394 1.00 0.87 H new ATOM 0 HG3 ARG A 76 9.996 7.021 -4.309 1.00 0.87 H new ATOM 0 HD2 ARG A 76 11.648 7.241 -5.872 1.00 1.14 H new ATOM 0 HD3 ARG A 76 10.753 8.677 -6.327 1.00 1.14 H new ATOM 0 HE ARG A 76 12.272 9.863 -4.572 1.00 1.36 H new ATOM 0 HH11 ARG A 76 13.366 7.587 -7.029 1.00 3.02 H new ATOM 0 HH12 ARG A 76 15.066 7.964 -6.727 1.00 3.02 H new ATOM 0 HH21 ARG A 76 14.421 10.056 -4.022 1.00 2.45 H new ATOM 0 HH22 ARG A 76 15.649 9.329 -5.063 1.00 2.45 H new ATOM 1202 N ASP A 77 6.901 10.757 -3.451 1.00 0.42 N ATOM 1203 CA ASP A 77 5.576 11.291 -3.751 1.00 0.44 C ATOM 1204 C ASP A 77 5.057 10.675 -5.058 1.00 0.43 C ATOM 1205 O ASP A 77 5.691 10.789 -6.109 1.00 0.49 O ATOM 1206 CB ASP A 77 5.649 12.820 -3.839 1.00 0.53 C ATOM 1207 CG ASP A 77 6.130 13.421 -2.516 1.00 2.25 C ATOM 1208 OD1 ASP A 77 5.262 13.695 -1.659 1.00 3.52 O ATOM 1209 OD2 ASP A 77 7.366 13.572 -2.374 1.00 3.15 O ATOM 0 H ASP A 77 7.654 11.365 -3.772 1.00 0.42 H new ATOM 0 HA ASP A 77 4.878 11.031 -2.956 1.00 0.44 H new ATOM 0 HB2 ASP A 77 6.326 13.110 -4.642 1.00 0.53 H new ATOM 0 HB3 ASP A 77 4.667 13.221 -4.090 1.00 0.53 H new ATOM 1214 N LEU A 78 3.923 9.977 -4.972 1.00 0.47 N ATOM 1215 CA LEU A 78 3.281 9.285 -6.095 1.00 0.48 C ATOM 1216 C LEU A 78 2.684 10.300 -7.086 1.00 0.38 C ATOM 1217 O LEU A 78 2.236 11.375 -6.678 1.00 0.40 O ATOM 1218 CB LEU A 78 2.199 8.326 -5.545 1.00 0.62 C ATOM 1219 CG LEU A 78 2.627 7.485 -4.318 1.00 0.89 C ATOM 1220 CD1 LEU A 78 1.544 6.515 -3.849 1.00 1.17 C ATOM 1221 CD2 LEU A 78 3.941 6.724 -4.523 1.00 1.58 C ATOM 0 H LEU A 78 3.411 9.874 -4.096 1.00 0.47 H new ATOM 0 HA LEU A 78 4.023 8.701 -6.640 1.00 0.48 H new ATOM 0 HB2 LEU A 78 1.320 8.912 -5.275 1.00 0.62 H new ATOM 0 HB3 LEU A 78 1.898 7.648 -6.343 1.00 0.62 H new ATOM 0 HG LEU A 78 2.788 8.227 -3.536 1.00 0.89 H new ATOM 0 HD11 LEU A 78 1.906 5.955 -2.986 1.00 1.17 H new ATOM 0 HD12 LEU A 78 0.651 7.074 -3.570 1.00 1.17 H new ATOM 0 HD13 LEU A 78 1.302 5.823 -4.655 1.00 1.17 H new ATOM 0 HD21 LEU A 78 4.178 6.157 -3.622 1.00 1.58 H new ATOM 0 HD22 LEU A 78 3.838 6.040 -5.365 1.00 1.58 H new ATOM 0 HD23 LEU A 78 4.744 7.433 -4.727 1.00 1.58 H new ATOM 1233 N SER A 79 2.628 9.971 -8.386 1.00 0.42 N ATOM 1234 CA SER A 79 1.977 10.858 -9.361 1.00 0.41 C ATOM 1235 C SER A 79 0.505 11.082 -9.020 1.00 0.39 C ATOM 1236 O SER A 79 -0.181 10.177 -8.549 1.00 0.39 O ATOM 1237 CB SER A 79 2.019 10.274 -10.774 1.00 0.42 C ATOM 1238 OG SER A 79 3.207 10.576 -11.460 1.00 1.94 O ATOM 0 H SER A 79 3.017 9.115 -8.780 1.00 0.42 H new ATOM 0 HA SER A 79 2.529 11.797 -9.319 1.00 0.41 H new ATOM 0 HB2 SER A 79 1.905 9.192 -10.717 1.00 0.42 H new ATOM 0 HB3 SER A 79 1.171 10.655 -11.343 1.00 0.42 H new ATOM 0 HG SER A 79 3.097 10.368 -12.411 1.00 1.94 H new ATOM 1244 N ALA A 80 -0.033 12.243 -9.410 1.00 0.42 N ATOM 1245 CA ALA A 80 -1.466 12.517 -9.320 1.00 0.44 C ATOM 1246 C ALA A 80 -2.312 11.467 -10.069 1.00 0.43 C ATOM 1247 O ALA A 80 -3.383 11.078 -9.602 1.00 0.51 O ATOM 1248 CB ALA A 80 -1.726 13.931 -9.851 1.00 0.53 C ATOM 0 H ALA A 80 0.513 13.014 -9.795 1.00 0.42 H new ATOM 0 HA ALA A 80 -1.772 12.453 -8.276 1.00 0.44 H new ATOM 0 HB1 ALA A 80 -2.792 14.152 -9.791 1.00 0.53 H new ATOM 0 HB2 ALA A 80 -1.171 14.653 -9.251 1.00 0.53 H new ATOM 0 HB3 ALA A 80 -1.400 13.995 -10.889 1.00 0.53 H new ATOM 1254 N LYS A 81 -1.807 10.970 -11.214 1.00 0.44 N ATOM 1255 CA LYS A 81 -2.437 9.886 -11.980 1.00 0.49 C ATOM 1256 C LYS A 81 -2.390 8.568 -11.207 1.00 0.55 C ATOM 1257 O LYS A 81 -3.378 7.835 -11.211 1.00 0.59 O ATOM 1258 CB LYS A 81 -1.794 9.679 -13.368 1.00 0.53 C ATOM 1259 CG LYS A 81 -1.272 10.918 -14.108 1.00 0.62 C ATOM 1260 CD LYS A 81 -2.329 12.032 -14.225 1.00 1.63 C ATOM 1261 CE LYS A 81 -1.887 13.122 -15.208 1.00 2.15 C ATOM 1262 NZ LYS A 81 -2.677 14.366 -15.032 1.00 3.26 N ATOM 0 H LYS A 81 -0.944 11.314 -11.634 1.00 0.44 H new ATOM 0 HA LYS A 81 -3.472 10.191 -12.131 1.00 0.49 H new ATOM 0 HB2 LYS A 81 -0.963 8.984 -13.251 1.00 0.53 H new ATOM 0 HB3 LYS A 81 -2.529 9.192 -14.008 1.00 0.53 H new ATOM 0 HG2 LYS A 81 -0.398 11.306 -13.585 1.00 0.62 H new ATOM 0 HG3 LYS A 81 -0.944 10.628 -15.106 1.00 0.62 H new ATOM 0 HD2 LYS A 81 -3.276 11.604 -14.555 1.00 1.63 H new ATOM 0 HD3 LYS A 81 -2.504 12.474 -13.244 1.00 1.63 H new ATOM 0 HE2 LYS A 81 -0.829 13.338 -15.062 1.00 2.15 H new ATOM 0 HE3 LYS A 81 -2.000 12.760 -16.230 1.00 2.15 H new ATOM 0 HZ1 LYS A 81 -2.352 15.083 -15.712 1.00 3.26 H new ATOM 0 HZ2 LYS A 81 -3.684 14.164 -15.196 1.00 3.26 H new ATOM 0 HZ3 LYS A 81 -2.549 14.725 -14.064 1.00 3.26 H new ATOM 1276 N GLU A 82 -1.271 8.309 -10.513 1.00 0.57 N ATOM 1277 CA GLU A 82 -1.139 7.173 -9.610 1.00 0.59 C ATOM 1278 C GLU A 82 -2.200 7.275 -8.530 1.00 0.51 C ATOM 1279 O GLU A 82 -3.072 6.425 -8.492 1.00 0.53 O ATOM 1280 CB GLU A 82 0.259 7.056 -8.970 1.00 0.64 C ATOM 1281 CG GLU A 82 0.561 5.562 -8.883 1.00 0.68 C ATOM 1282 CD GLU A 82 1.857 5.195 -8.163 1.00 1.63 C ATOM 1283 OE1 GLU A 82 1.838 5.226 -6.916 1.00 2.55 O ATOM 1284 OE2 GLU A 82 2.804 4.774 -8.862 1.00 2.75 O ATOM 0 H GLU A 82 -0.433 8.888 -10.568 1.00 0.57 H new ATOM 0 HA GLU A 82 -1.276 6.270 -10.204 1.00 0.59 H new ATOM 0 HB2 GLU A 82 1.008 7.571 -9.572 1.00 0.64 H new ATOM 0 HB3 GLU A 82 0.275 7.515 -7.981 1.00 0.64 H new ATOM 0 HG2 GLU A 82 -0.268 5.070 -8.375 1.00 0.68 H new ATOM 0 HG3 GLU A 82 0.600 5.157 -9.894 1.00 0.68 H new ATOM 1291 N THR A 83 -2.190 8.353 -7.739 1.00 0.48 N ATOM 1292 CA THR A 83 -3.170 8.664 -6.693 1.00 0.47 C ATOM 1293 C THR A 83 -4.606 8.390 -7.149 1.00 0.45 C ATOM 1294 O THR A 83 -5.356 7.697 -6.458 1.00 0.46 O ATOM 1295 CB THR A 83 -2.948 10.117 -6.232 1.00 0.61 C ATOM 1296 OG1 THR A 83 -1.773 10.146 -5.459 1.00 1.62 O ATOM 1297 CG2 THR A 83 -4.056 10.753 -5.393 1.00 1.40 C ATOM 0 H THR A 83 -1.464 9.066 -7.814 1.00 0.48 H new ATOM 0 HA THR A 83 -3.020 8.002 -5.840 1.00 0.47 H new ATOM 0 HB THR A 83 -2.909 10.700 -7.152 1.00 0.61 H new ATOM 0 HG1 THR A 83 -1.606 11.062 -5.153 1.00 1.62 H new ATOM 0 HG21 THR A 83 -3.776 11.774 -5.135 1.00 1.40 H new ATOM 0 HG22 THR A 83 -4.984 10.765 -5.965 1.00 1.40 H new ATOM 0 HG23 THR A 83 -4.199 10.174 -4.481 1.00 1.40 H new ATOM 1305 N LYS A 84 -4.977 8.876 -8.342 1.00 0.48 N ATOM 1306 CA LYS A 84 -6.295 8.660 -8.943 1.00 0.55 C ATOM 1307 C LYS A 84 -6.607 7.177 -9.202 1.00 0.63 C ATOM 1308 O LYS A 84 -7.667 6.705 -8.792 1.00 0.71 O ATOM 1309 CB LYS A 84 -6.405 9.527 -10.208 1.00 0.56 C ATOM 1310 CG LYS A 84 -7.863 9.871 -10.543 1.00 1.21 C ATOM 1311 CD LYS A 84 -7.925 11.071 -11.500 1.00 1.18 C ATOM 1312 CE LYS A 84 -9.367 11.577 -11.619 1.00 1.83 C ATOM 1313 NZ LYS A 84 -9.423 12.918 -12.247 1.00 1.94 N ATOM 0 H LYS A 84 -4.357 9.439 -8.924 1.00 0.48 H new ATOM 0 HA LYS A 84 -7.061 8.970 -8.232 1.00 0.55 H new ATOM 0 HB2 LYS A 84 -5.838 10.447 -10.067 1.00 0.56 H new ATOM 0 HB3 LYS A 84 -5.954 9.000 -11.049 1.00 0.56 H new ATOM 0 HG2 LYS A 84 -8.351 9.009 -10.998 1.00 1.21 H new ATOM 0 HG3 LYS A 84 -8.409 10.099 -9.628 1.00 1.21 H new ATOM 0 HD2 LYS A 84 -7.280 11.870 -11.135 1.00 1.18 H new ATOM 0 HD3 LYS A 84 -7.551 10.782 -12.482 1.00 1.18 H new ATOM 0 HE2 LYS A 84 -9.953 10.873 -12.210 1.00 1.83 H new ATOM 0 HE3 LYS A 84 -9.822 11.619 -10.629 1.00 1.83 H new ATOM 0 HZ1 LYS A 84 -10.413 13.230 -12.312 1.00 1.94 H new ATOM 0 HZ2 LYS A 84 -8.884 13.595 -11.670 1.00 1.94 H new ATOM 0 HZ3 LYS A 84 -9.011 12.872 -13.201 1.00 1.94 H new ATOM 1327 N MET A 85 -5.709 6.440 -9.867 1.00 0.65 N ATOM 1328 CA MET A 85 -5.912 5.011 -10.155 1.00 0.77 C ATOM 1329 C MET A 85 -5.790 4.128 -8.900 1.00 0.80 C ATOM 1330 O MET A 85 -6.546 3.172 -8.739 1.00 0.96 O ATOM 1331 CB MET A 85 -4.931 4.553 -11.251 1.00 0.84 C ATOM 1332 CG MET A 85 -5.625 3.601 -12.229 1.00 1.33 C ATOM 1333 SD MET A 85 -4.567 3.035 -13.585 1.00 2.08 S ATOM 1334 CE MET A 85 -5.820 2.297 -14.667 1.00 2.45 C ATOM 0 H MET A 85 -4.827 6.812 -10.219 1.00 0.65 H new ATOM 0 HA MET A 85 -6.934 4.891 -10.514 1.00 0.77 H new ATOM 0 HB2 MET A 85 -4.547 5.420 -11.789 1.00 0.84 H new ATOM 0 HB3 MET A 85 -4.075 4.055 -10.796 1.00 0.84 H new ATOM 0 HG2 MET A 85 -5.988 2.733 -11.679 1.00 1.33 H new ATOM 0 HG3 MET A 85 -6.498 4.101 -12.648 1.00 1.33 H new ATOM 0 HE1 MET A 85 -5.339 1.895 -15.559 1.00 2.45 H new ATOM 0 HE2 MET A 85 -6.331 1.493 -14.137 1.00 2.45 H new ATOM 0 HE3 MET A 85 -6.544 3.058 -14.957 1.00 2.45 H new ATOM 1344 N LEU A 86 -4.868 4.479 -7.999 1.00 0.68 N ATOM 1345 CA LEU A 86 -4.582 3.876 -6.701 1.00 0.76 C ATOM 1346 C LEU A 86 -5.826 3.913 -5.816 1.00 0.72 C ATOM 1347 O LEU A 86 -6.271 2.851 -5.393 1.00 0.83 O ATOM 1348 CB LEU A 86 -3.373 4.612 -6.086 1.00 0.74 C ATOM 1349 CG LEU A 86 -2.700 3.986 -4.854 1.00 1.00 C ATOM 1350 CD1 LEU A 86 -1.525 4.855 -4.402 1.00 2.95 C ATOM 1351 CD2 LEU A 86 -3.582 3.655 -3.651 1.00 1.76 C ATOM 0 H LEU A 86 -4.246 5.267 -8.181 1.00 0.68 H new ATOM 0 HA LEU A 86 -4.320 2.823 -6.803 1.00 0.76 H new ATOM 0 HB2 LEU A 86 -2.616 4.718 -6.863 1.00 0.74 H new ATOM 0 HB3 LEU A 86 -3.696 5.617 -5.816 1.00 0.74 H new ATOM 0 HG LEU A 86 -2.382 3.008 -5.216 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -1.054 4.404 -3.529 1.00 2.95 H new ATOM 0 HD12 LEU A 86 -0.796 4.930 -5.209 1.00 2.95 H new ATOM 0 HD13 LEU A 86 -1.886 5.851 -4.146 1.00 2.95 H new ATOM 0 HD21 LEU A 86 -2.971 3.220 -2.860 1.00 1.76 H new ATOM 0 HD22 LEU A 86 -4.055 4.566 -3.285 1.00 1.76 H new ATOM 0 HD23 LEU A 86 -4.351 2.942 -3.949 1.00 1.76 H new ATOM 1363 N MET A 87 -6.412 5.093 -5.554 1.00 0.65 N ATOM 1364 CA MET A 87 -7.629 5.170 -4.736 1.00 0.74 C ATOM 1365 C MET A 87 -8.790 4.376 -5.364 1.00 0.73 C ATOM 1366 O MET A 87 -9.455 3.617 -4.657 1.00 0.73 O ATOM 1367 CB MET A 87 -7.975 6.634 -4.390 1.00 0.89 C ATOM 1368 CG MET A 87 -8.636 7.469 -5.493 1.00 1.77 C ATOM 1369 SD MET A 87 -10.429 7.231 -5.654 1.00 2.71 S ATOM 1370 CE MET A 87 -10.731 8.181 -7.163 1.00 3.32 C ATOM 0 H MET A 87 -6.068 5.992 -5.891 1.00 0.65 H new ATOM 0 HA MET A 87 -7.437 4.680 -3.782 1.00 0.74 H new ATOM 0 HB2 MET A 87 -8.637 6.631 -3.524 1.00 0.89 H new ATOM 0 HB3 MET A 87 -7.057 7.137 -4.087 1.00 0.89 H new ATOM 0 HG2 MET A 87 -8.439 8.523 -5.299 1.00 1.77 H new ATOM 0 HG3 MET A 87 -8.164 7.227 -6.445 1.00 1.77 H new ATOM 0 HE1 MET A 87 -11.792 8.142 -7.411 1.00 3.32 H new ATOM 0 HE2 MET A 87 -10.433 9.218 -7.006 1.00 3.32 H new ATOM 0 HE3 MET A 87 -10.151 7.756 -7.982 1.00 3.32 H new ATOM 1380 N ALA A 88 -8.971 4.485 -6.691 1.00 0.82 N ATOM 1381 CA ALA A 88 -10.049 3.840 -7.439 1.00 0.88 C ATOM 1382 C ALA A 88 -9.947 2.306 -7.461 1.00 0.84 C ATOM 1383 O ALA A 88 -10.960 1.624 -7.319 1.00 0.91 O ATOM 1384 CB ALA A 88 -10.053 4.404 -8.865 1.00 1.03 C ATOM 0 H ALA A 88 -8.353 5.040 -7.283 1.00 0.82 H new ATOM 0 HA ALA A 88 -10.988 4.061 -6.932 1.00 0.88 H new ATOM 0 HB1 ALA A 88 -10.851 3.935 -9.440 1.00 1.03 H new ATOM 0 HB2 ALA A 88 -10.216 5.481 -8.830 1.00 1.03 H new ATOM 0 HB3 ALA A 88 -9.094 4.198 -9.341 1.00 1.03 H new ATOM 1390 N ALA A 89 -8.745 1.750 -7.651 1.00 0.79 N ATOM 1391 CA ALA A 89 -8.518 0.308 -7.571 1.00 0.73 C ATOM 1392 C ALA A 89 -8.444 -0.191 -6.119 1.00 0.57 C ATOM 1393 O ALA A 89 -8.922 -1.286 -5.833 1.00 0.62 O ATOM 1394 CB ALA A 89 -7.233 -0.036 -8.328 1.00 0.88 C ATOM 0 H ALA A 89 -7.905 2.289 -7.864 1.00 0.79 H new ATOM 0 HA ALA A 89 -9.367 -0.199 -8.029 1.00 0.73 H new ATOM 0 HB1 ALA A 89 -7.055 -1.110 -8.274 1.00 0.88 H new ATOM 0 HB2 ALA A 89 -7.334 0.263 -9.371 1.00 0.88 H new ATOM 0 HB3 ALA A 89 -6.393 0.494 -7.879 1.00 0.88 H new ATOM 1400 N GLY A 90 -7.849 0.609 -5.226 1.00 0.51 N ATOM 1401 CA GLY A 90 -7.617 0.343 -3.810 1.00 0.49 C ATOM 1402 C GLY A 90 -8.897 0.072 -3.035 1.00 0.46 C ATOM 1403 O GLY A 90 -9.077 -1.024 -2.503 1.00 0.66 O ATOM 0 H GLY A 90 -7.493 1.525 -5.499 1.00 0.51 H new ATOM 0 HA2 GLY A 90 -6.952 -0.515 -3.712 1.00 0.49 H new ATOM 0 HA3 GLY A 90 -7.104 1.196 -3.366 1.00 0.49 H new ATOM 1407 N ASP A 91 -9.785 1.071 -2.966 1.00 0.41 N ATOM 1408 CA ASP A 91 -11.119 0.877 -2.410 1.00 0.46 C ATOM 1409 C ASP A 91 -11.968 0.032 -3.381 1.00 0.53 C ATOM 1410 O ASP A 91 -12.765 0.545 -4.164 1.00 0.75 O ATOM 1411 CB ASP A 91 -11.778 2.220 -2.087 1.00 0.56 C ATOM 1412 CG ASP A 91 -13.222 2.000 -1.634 1.00 0.77 C ATOM 1413 OD1 ASP A 91 -13.464 1.292 -0.630 1.00 0.88 O ATOM 1414 OD2 ASP A 91 -14.130 2.538 -2.293 1.00 1.21 O ATOM 0 H ASP A 91 -9.599 2.020 -3.290 1.00 0.41 H new ATOM 0 HA ASP A 91 -11.041 0.333 -1.469 1.00 0.46 H new ATOM 0 HB2 ASP A 91 -11.217 2.731 -1.304 1.00 0.56 H new ATOM 0 HB3 ASP A 91 -11.758 2.865 -2.966 1.00 0.56 H new ATOM 1419 N LYS A 92 -11.830 -1.295 -3.305 1.00 0.54 N ATOM 1420 CA LYS A 92 -12.748 -2.243 -3.960 1.00 0.60 C ATOM 1421 C LYS A 92 -14.183 -2.186 -3.417 1.00 0.56 C ATOM 1422 O LYS A 92 -15.079 -2.764 -4.025 1.00 0.69 O ATOM 1423 CB LYS A 92 -12.191 -3.666 -3.805 1.00 0.77 C ATOM 1424 CG LYS A 92 -11.102 -3.987 -4.839 1.00 1.78 C ATOM 1425 CD LYS A 92 -11.651 -4.195 -6.263 1.00 2.81 C ATOM 1426 CE LYS A 92 -11.163 -3.097 -7.216 1.00 3.94 C ATOM 1427 NZ LYS A 92 -11.718 -3.288 -8.576 1.00 4.88 N ATOM 0 H LYS A 92 -11.077 -1.748 -2.787 1.00 0.54 H new ATOM 0 HA LYS A 92 -12.808 -1.956 -5.010 1.00 0.60 H new ATOM 0 HB2 LYS A 92 -11.781 -3.785 -2.802 1.00 0.77 H new ATOM 0 HB3 LYS A 92 -13.005 -4.384 -3.904 1.00 0.77 H new ATOM 0 HG2 LYS A 92 -10.375 -3.175 -4.853 1.00 1.78 H new ATOM 0 HG3 LYS A 92 -10.570 -4.886 -4.528 1.00 1.78 H new ATOM 0 HD2 LYS A 92 -11.337 -5.170 -6.637 1.00 2.81 H new ATOM 0 HD3 LYS A 92 -12.741 -4.199 -6.238 1.00 2.81 H new ATOM 0 HE2 LYS A 92 -11.459 -2.120 -6.833 1.00 3.94 H new ATOM 0 HE3 LYS A 92 -10.074 -3.106 -7.259 1.00 3.94 H new ATOM 0 HZ1 LYS A 92 -11.373 -2.532 -9.201 1.00 4.88 H new ATOM 0 HZ2 LYS A 92 -11.415 -4.211 -8.948 1.00 4.88 H new ATOM 0 HZ3 LYS A 92 -12.757 -3.255 -8.535 1.00 4.88 H new ATOM 1441 N ASP A 93 -14.386 -1.529 -2.274 1.00 0.52 N ATOM 1442 CA ASP A 93 -15.595 -1.602 -1.456 1.00 0.57 C ATOM 1443 C ASP A 93 -16.657 -0.549 -1.823 1.00 0.51 C ATOM 1444 O ASP A 93 -17.847 -0.813 -1.671 1.00 0.71 O ATOM 1445 CB ASP A 93 -15.158 -1.424 0.012 1.00 0.81 C ATOM 1446 CG ASP A 93 -15.761 -2.417 1.007 1.00 0.76 C ATOM 1447 OD1 ASP A 93 -16.177 -3.520 0.597 1.00 1.21 O ATOM 1448 OD2 ASP A 93 -15.692 -2.052 2.202 1.00 1.20 O ATOM 0 H ASP A 93 -13.682 -0.906 -1.878 1.00 0.52 H new ATOM 0 HA ASP A 93 -16.073 -2.566 -1.631 1.00 0.57 H new ATOM 0 HB2 ASP A 93 -14.072 -1.503 0.061 1.00 0.81 H new ATOM 0 HB3 ASP A 93 -15.419 -0.415 0.330 1.00 0.81 H new ATOM 1453 N GLY A 94 -16.245 0.638 -2.291 1.00 0.47 N ATOM 1454 CA GLY A 94 -17.133 1.755 -2.624 1.00 0.63 C ATOM 1455 C GLY A 94 -17.186 2.879 -1.573 1.00 0.63 C ATOM 1456 O GLY A 94 -18.040 3.754 -1.690 1.00 0.82 O ATOM 0 H GLY A 94 -15.260 0.850 -2.451 1.00 0.47 H new ATOM 0 HA2 GLY A 94 -16.814 2.182 -3.575 1.00 0.63 H new ATOM 0 HA3 GLY A 94 -18.141 1.367 -2.771 1.00 0.63 H new ATOM 1460 N ASP A 95 -16.300 2.887 -0.564 1.00 0.50 N ATOM 1461 CA ASP A 95 -16.201 3.995 0.411 1.00 0.59 C ATOM 1462 C ASP A 95 -15.302 5.159 -0.052 1.00 0.66 C ATOM 1463 O ASP A 95 -15.285 6.219 0.574 1.00 0.93 O ATOM 1464 CB ASP A 95 -15.577 3.522 1.730 1.00 0.70 C ATOM 1465 CG ASP A 95 -16.282 2.355 2.399 1.00 0.93 C ATOM 1466 OD1 ASP A 95 -17.473 2.479 2.740 1.00 1.82 O ATOM 1467 OD2 ASP A 95 -15.539 1.370 2.633 1.00 1.00 O ATOM 0 H ASP A 95 -15.634 2.132 -0.398 1.00 0.50 H new ATOM 0 HA ASP A 95 -17.231 4.333 0.522 1.00 0.59 H new ATOM 0 HB2 ASP A 95 -14.541 3.240 1.542 1.00 0.70 H new ATOM 0 HB3 ASP A 95 -15.558 4.361 2.426 1.00 0.70 H new ATOM 1472 N GLY A 96 -14.460 4.924 -1.062 1.00 0.62 N ATOM 1473 CA GLY A 96 -13.310 5.744 -1.437 1.00 0.71 C ATOM 1474 C GLY A 96 -12.152 5.756 -0.427 1.00 0.52 C ATOM 1475 O GLY A 96 -11.242 6.569 -0.577 1.00 0.70 O ATOM 0 H GLY A 96 -14.570 4.113 -1.671 1.00 0.62 H new ATOM 0 HA2 GLY A 96 -12.930 5.390 -2.395 1.00 0.71 H new ATOM 0 HA3 GLY A 96 -13.649 6.769 -1.587 1.00 0.71 H new ATOM 1479 N LYS A 97 -12.150 4.859 0.573 1.00 0.31 N ATOM 1480 CA LYS A 97 -11.024 4.621 1.492 1.00 0.34 C ATOM 1481 C LYS A 97 -10.617 3.151 1.524 1.00 0.41 C ATOM 1482 O LYS A 97 -11.478 2.272 1.653 1.00 0.50 O ATOM 1483 CB LYS A 97 -11.363 5.069 2.918 1.00 0.42 C ATOM 1484 CG LYS A 97 -11.449 6.596 3.063 1.00 0.50 C ATOM 1485 CD LYS A 97 -12.821 7.061 3.553 1.00 0.97 C ATOM 1486 CE LYS A 97 -13.061 6.626 5.006 1.00 1.90 C ATOM 1487 NZ LYS A 97 -14.394 7.055 5.488 1.00 2.57 N ATOM 0 H LYS A 97 -12.954 4.263 0.770 1.00 0.31 H new ATOM 0 HA LYS A 97 -10.190 5.212 1.112 1.00 0.34 H new ATOM 0 HB2 LYS A 97 -12.314 4.627 3.215 1.00 0.42 H new ATOM 0 HB3 LYS A 97 -10.606 4.687 3.603 1.00 0.42 H new ATOM 0 HG2 LYS A 97 -10.683 6.935 3.761 1.00 0.50 H new ATOM 0 HG3 LYS A 97 -11.233 7.062 2.102 1.00 0.50 H new ATOM 0 HD2 LYS A 97 -12.890 8.146 3.478 1.00 0.97 H new ATOM 0 HD3 LYS A 97 -13.600 6.647 2.912 1.00 0.97 H new ATOM 0 HE2 LYS A 97 -12.978 5.542 5.081 1.00 1.90 H new ATOM 0 HE3 LYS A 97 -12.288 7.050 5.646 1.00 1.90 H new ATOM 0 HZ1 LYS A 97 -14.523 6.745 6.472 1.00 2.57 H new ATOM 0 HZ2 LYS A 97 -14.464 8.092 5.439 1.00 2.57 H new ATOM 0 HZ3 LYS A 97 -15.132 6.630 4.891 1.00 2.57 H new ATOM 1501 N ILE A 98 -9.298 2.921 1.493 1.00 0.39 N ATOM 1502 CA ILE A 98 -8.687 1.588 1.594 1.00 0.37 C ATOM 1503 C ILE A 98 -8.833 1.127 3.038 1.00 0.36 C ATOM 1504 O ILE A 98 -8.478 1.854 3.972 1.00 0.38 O ATOM 1505 CB ILE A 98 -7.199 1.593 1.142 1.00 0.37 C ATOM 1506 CG1 ILE A 98 -7.126 1.770 -0.389 1.00 0.42 C ATOM 1507 CG2 ILE A 98 -6.374 0.347 1.564 1.00 0.40 C ATOM 1508 CD1 ILE A 98 -5.709 1.988 -0.934 1.00 0.40 C ATOM 0 H ILE A 98 -8.612 3.670 1.395 1.00 0.39 H new ATOM 0 HA ILE A 98 -9.195 0.895 0.923 1.00 0.37 H new ATOM 0 HB ILE A 98 -6.740 2.432 1.664 1.00 0.37 H new ATOM 0 HG12 ILE A 98 -7.554 0.888 -0.865 1.00 0.42 H new ATOM 0 HG13 ILE A 98 -7.747 2.619 -0.675 1.00 0.42 H new ATOM 0 HG21 ILE A 98 -5.351 0.448 1.201 1.00 0.40 H new ATOM 0 HG22 ILE A 98 -6.367 0.266 2.651 1.00 0.40 H new ATOM 0 HG23 ILE A 98 -6.824 -0.549 1.137 1.00 0.40 H new ATOM 0 HD11 ILE A 98 -5.749 2.103 -2.017 1.00 0.40 H new ATOM 0 HD12 ILE A 98 -5.282 2.887 -0.489 1.00 0.40 H new ATOM 0 HD13 ILE A 98 -5.087 1.129 -0.683 1.00 0.40 H new ATOM 1520 N GLY A 99 -9.335 -0.097 3.184 1.00 0.38 N ATOM 1521 CA GLY A 99 -9.252 -0.912 4.396 1.00 0.43 C ATOM 1522 C GLY A 99 -8.449 -2.202 4.173 1.00 0.41 C ATOM 1523 O GLY A 99 -8.370 -2.717 3.059 1.00 0.40 O ATOM 0 H GLY A 99 -9.832 -0.569 2.429 1.00 0.38 H new ATOM 0 HA2 GLY A 99 -8.788 -0.330 5.192 1.00 0.43 H new ATOM 0 HA3 GLY A 99 -10.258 -1.165 4.731 1.00 0.43 H new ATOM 1527 N VAL A 100 -7.886 -2.756 5.255 1.00 0.49 N ATOM 1528 CA VAL A 100 -7.055 -3.977 5.251 1.00 0.56 C ATOM 1529 C VAL A 100 -7.685 -5.161 4.506 1.00 0.52 C ATOM 1530 O VAL A 100 -7.024 -5.786 3.676 1.00 0.63 O ATOM 1531 CB VAL A 100 -6.645 -4.374 6.689 1.00 0.72 C ATOM 1532 CG1 VAL A 100 -7.806 -4.542 7.683 1.00 0.66 C ATOM 1533 CG2 VAL A 100 -5.802 -5.653 6.705 1.00 0.94 C ATOM 0 H VAL A 100 -7.997 -2.358 6.188 1.00 0.49 H new ATOM 0 HA VAL A 100 -6.159 -3.722 4.686 1.00 0.56 H new ATOM 0 HB VAL A 100 -6.061 -3.519 7.028 1.00 0.72 H new ATOM 0 HG11 VAL A 100 -7.411 -4.820 8.660 1.00 0.66 H new ATOM 0 HG12 VAL A 100 -8.352 -3.602 7.767 1.00 0.66 H new ATOM 0 HG13 VAL A 100 -8.479 -5.323 7.328 1.00 0.66 H new ATOM 0 HG21 VAL A 100 -5.534 -5.899 7.732 1.00 0.94 H new ATOM 0 HG22 VAL A 100 -6.376 -6.473 6.274 1.00 0.94 H new ATOM 0 HG23 VAL A 100 -4.895 -5.498 6.120 1.00 0.94 H new ATOM 1543 N ASP A 101 -8.935 -5.499 4.823 1.00 0.46 N ATOM 1544 CA ASP A 101 -9.636 -6.699 4.346 1.00 0.54 C ATOM 1545 C ASP A 101 -9.809 -6.684 2.813 1.00 0.51 C ATOM 1546 O ASP A 101 -9.553 -7.666 2.107 1.00 0.55 O ATOM 1547 CB ASP A 101 -10.986 -6.758 5.089 1.00 0.58 C ATOM 1548 CG ASP A 101 -11.342 -8.162 5.584 1.00 0.91 C ATOM 1549 OD1 ASP A 101 -11.124 -9.123 4.817 1.00 1.79 O ATOM 1550 OD2 ASP A 101 -11.809 -8.249 6.740 1.00 2.05 O ATOM 0 H ASP A 101 -9.511 -4.927 5.441 1.00 0.46 H new ATOM 0 HA ASP A 101 -9.055 -7.596 4.559 1.00 0.54 H new ATOM 0 HB2 ASP A 101 -10.955 -6.077 5.940 1.00 0.58 H new ATOM 0 HB3 ASP A 101 -11.774 -6.403 4.425 1.00 0.58 H new ATOM 1555 N GLU A 102 -10.136 -5.496 2.292 1.00 0.45 N ATOM 1556 CA GLU A 102 -10.117 -5.171 0.870 1.00 0.45 C ATOM 1557 C GLU A 102 -8.699 -5.346 0.335 1.00 0.49 C ATOM 1558 O GLU A 102 -8.473 -6.164 -0.548 1.00 0.56 O ATOM 1559 CB GLU A 102 -10.537 -3.713 0.618 1.00 0.50 C ATOM 1560 CG GLU A 102 -11.814 -3.235 1.315 1.00 0.61 C ATOM 1561 CD GLU A 102 -11.709 -1.756 1.691 1.00 0.87 C ATOM 1562 OE1 GLU A 102 -10.978 -0.974 1.050 1.00 2.41 O ATOM 1563 OE2 GLU A 102 -12.435 -1.320 2.615 1.00 1.24 O ATOM 0 H GLU A 102 -10.431 -4.711 2.873 1.00 0.45 H new ATOM 0 HA GLU A 102 -10.819 -5.837 0.368 1.00 0.45 H new ATOM 0 HB2 GLU A 102 -9.717 -3.064 0.927 1.00 0.50 H new ATOM 0 HB3 GLU A 102 -10.664 -3.576 -0.456 1.00 0.50 H new ATOM 0 HG2 GLU A 102 -12.671 -3.388 0.658 1.00 0.61 H new ATOM 0 HG3 GLU A 102 -11.989 -3.831 2.211 1.00 0.61 H new ATOM 1570 N PHE A 103 -7.733 -4.585 0.868 1.00 0.51 N ATOM 1571 CA PHE A 103 -6.390 -4.481 0.301 1.00 0.60 C ATOM 1572 C PHE A 103 -5.699 -5.848 0.226 1.00 0.65 C ATOM 1573 O PHE A 103 -5.013 -6.130 -0.750 1.00 0.74 O ATOM 1574 CB PHE A 103 -5.568 -3.469 1.117 1.00 0.75 C ATOM 1575 CG PHE A 103 -4.505 -2.651 0.394 1.00 0.66 C ATOM 1576 CD1 PHE A 103 -4.248 -2.768 -0.990 1.00 2.17 C ATOM 1577 CD2 PHE A 103 -3.779 -1.706 1.144 1.00 1.45 C ATOM 1578 CE1 PHE A 103 -3.324 -1.912 -1.615 1.00 2.57 C ATOM 1579 CE2 PHE A 103 -2.843 -0.860 0.524 1.00 1.88 C ATOM 1580 CZ PHE A 103 -2.624 -0.954 -0.861 1.00 1.96 C ATOM 0 H PHE A 103 -7.867 -4.023 1.709 1.00 0.51 H new ATOM 0 HA PHE A 103 -6.468 -4.122 -0.725 1.00 0.60 H new ATOM 0 HB2 PHE A 103 -6.265 -2.772 1.581 1.00 0.75 H new ATOM 0 HB3 PHE A 103 -5.077 -4.013 1.924 1.00 0.75 H new ATOM 0 HD1 PHE A 103 -4.764 -3.518 -1.571 1.00 2.17 H new ATOM 0 HD2 PHE A 103 -3.943 -1.630 2.209 1.00 1.45 H new ATOM 0 HE1 PHE A 103 -3.151 -1.991 -2.678 1.00 2.57 H new ATOM 0 HE2 PHE A 103 -2.293 -0.139 1.111 1.00 1.88 H new ATOM 0 HZ PHE A 103 -1.920 -0.293 -1.344 1.00 1.96 H new ATOM 1590 N SER A 104 -5.968 -6.712 1.214 1.00 0.64 N ATOM 1591 CA SER A 104 -5.557 -8.119 1.313 1.00 0.69 C ATOM 1592 C SER A 104 -5.965 -8.967 0.103 1.00 0.66 C ATOM 1593 O SER A 104 -5.270 -9.923 -0.240 1.00 0.96 O ATOM 1594 CB SER A 104 -6.213 -8.764 2.545 1.00 0.81 C ATOM 1595 OG SER A 104 -5.942 -8.065 3.738 1.00 1.94 O ATOM 0 H SER A 104 -6.518 -6.425 2.023 1.00 0.64 H new ATOM 0 HA SER A 104 -4.469 -8.102 1.375 1.00 0.69 H new ATOM 0 HB2 SER A 104 -7.291 -8.811 2.394 1.00 0.81 H new ATOM 0 HB3 SER A 104 -5.860 -9.791 2.643 1.00 0.81 H new ATOM 0 HG SER A 104 -6.588 -7.335 3.843 1.00 1.94 H new ATOM 1601 N THR A 105 -7.104 -8.647 -0.520 1.00 0.56 N ATOM 1602 CA THR A 105 -7.838 -9.511 -1.450 1.00 0.58 C ATOM 1603 C THR A 105 -8.034 -8.875 -2.830 1.00 0.59 C ATOM 1604 O THR A 105 -8.016 -9.581 -3.837 1.00 0.62 O ATOM 1605 CB THR A 105 -9.175 -9.921 -0.815 1.00 0.55 C ATOM 1606 OG1 THR A 105 -9.935 -8.803 -0.399 1.00 0.49 O ATOM 1607 CG2 THR A 105 -8.937 -10.832 0.389 1.00 0.58 C ATOM 0 H THR A 105 -7.557 -7.743 -0.385 1.00 0.56 H new ATOM 0 HA THR A 105 -7.236 -10.402 -1.628 1.00 0.58 H new ATOM 0 HB THR A 105 -9.737 -10.451 -1.584 1.00 0.55 H new ATOM 0 HG1 THR A 105 -9.665 -8.543 0.507 1.00 0.49 H new ATOM 0 HG21 THR A 105 -9.895 -11.113 0.827 1.00 0.58 H new ATOM 0 HG22 THR A 105 -8.408 -11.729 0.068 1.00 0.58 H new ATOM 0 HG23 THR A 105 -8.339 -10.304 1.132 1.00 0.58 H new ATOM 1615 N LEU A 106 -8.025 -7.540 -2.893 1.00 0.58 N ATOM 1616 CA LEU A 106 -7.785 -6.685 -4.065 1.00 0.57 C ATOM 1617 C LEU A 106 -6.632 -7.235 -4.927 1.00 0.55 C ATOM 1618 O LEU A 106 -6.696 -7.302 -6.152 1.00 0.66 O ATOM 1619 CB LEU A 106 -7.452 -5.279 -3.508 1.00 0.62 C ATOM 1620 CG LEU A 106 -7.438 -4.045 -4.439 1.00 0.76 C ATOM 1621 CD1 LEU A 106 -6.264 -3.132 -4.074 1.00 1.85 C ATOM 1622 CD2 LEU A 106 -7.407 -4.318 -5.941 1.00 2.62 C ATOM 0 H LEU A 106 -8.200 -6.981 -2.058 1.00 0.58 H new ATOM 0 HA LEU A 106 -8.658 -6.652 -4.717 1.00 0.57 H new ATOM 0 HB2 LEU A 106 -8.167 -5.072 -2.711 1.00 0.62 H new ATOM 0 HB3 LEU A 106 -6.468 -5.342 -3.044 1.00 0.62 H new ATOM 0 HG LEU A 106 -8.404 -3.572 -4.261 1.00 0.76 H new ATOM 0 HD11 LEU A 106 -6.259 -2.264 -4.733 1.00 1.85 H new ATOM 0 HD12 LEU A 106 -6.368 -2.802 -3.040 1.00 1.85 H new ATOM 0 HD13 LEU A 106 -5.328 -3.679 -4.188 1.00 1.85 H new ATOM 0 HD21 LEU A 106 -7.400 -3.372 -6.483 1.00 2.62 H new ATOM 0 HD22 LEU A 106 -6.510 -4.885 -6.189 1.00 2.62 H new ATOM 0 HD23 LEU A 106 -8.289 -4.892 -6.225 1.00 2.62 H new ATOM 1634 N VAL A 107 -5.559 -7.665 -4.266 1.00 0.49 N ATOM 1635 CA VAL A 107 -4.347 -8.193 -4.897 1.00 0.54 C ATOM 1636 C VAL A 107 -4.367 -9.703 -5.151 1.00 0.56 C ATOM 1637 O VAL A 107 -3.502 -10.228 -5.854 1.00 0.64 O ATOM 1638 CB VAL A 107 -3.154 -7.845 -4.013 1.00 0.52 C ATOM 1639 CG1 VAL A 107 -3.005 -6.318 -3.957 1.00 0.61 C ATOM 1640 CG2 VAL A 107 -3.272 -8.439 -2.604 1.00 0.56 C ATOM 0 H VAL A 107 -5.505 -7.656 -3.247 1.00 0.49 H new ATOM 0 HA VAL A 107 -4.279 -7.730 -5.881 1.00 0.54 H new ATOM 0 HB VAL A 107 -2.261 -8.289 -4.453 1.00 0.52 H new ATOM 0 HG11 VAL A 107 -2.154 -6.058 -3.327 1.00 0.61 H new ATOM 0 HG12 VAL A 107 -2.843 -5.931 -4.963 1.00 0.61 H new ATOM 0 HG13 VAL A 107 -3.912 -5.879 -3.541 1.00 0.61 H new ATOM 0 HG21 VAL A 107 -2.397 -8.161 -2.017 1.00 0.56 H new ATOM 0 HG22 VAL A 107 -4.170 -8.054 -2.121 1.00 0.56 H new ATOM 0 HG23 VAL A 107 -3.333 -9.525 -2.671 1.00 0.56 H new ATOM 1650 N ALA A 108 -5.341 -10.406 -4.578 1.00 0.52 N ATOM 1651 CA ALA A 108 -5.628 -11.819 -4.811 1.00 0.56 C ATOM 1652 C ALA A 108 -6.570 -12.011 -6.006 1.00 0.70 C ATOM 1653 O ALA A 108 -6.375 -12.952 -6.770 1.00 0.91 O ATOM 1654 CB ALA A 108 -6.187 -12.420 -3.524 1.00 0.52 C ATOM 0 H ALA A 108 -5.983 -9.985 -3.906 1.00 0.52 H new ATOM 0 HA ALA A 108 -4.710 -12.344 -5.073 1.00 0.56 H new ATOM 0 HB1 ALA A 108 -6.407 -13.476 -3.681 1.00 0.52 H new ATOM 0 HB2 ALA A 108 -5.452 -12.317 -2.725 1.00 0.52 H new ATOM 0 HB3 ALA A 108 -7.102 -11.897 -3.245 1.00 0.52 H new ATOM 1660 N GLU A 109 -7.467 -11.045 -6.253 1.00 0.73 N ATOM 1661 CA GLU A 109 -8.031 -10.783 -7.583 1.00 0.93 C ATOM 1662 C GLU A 109 -6.913 -10.662 -8.630 1.00 1.28 C ATOM 1663 O GLU A 109 -7.013 -11.232 -9.716 1.00 1.79 O ATOM 1664 CB GLU A 109 -8.871 -9.492 -7.545 1.00 1.14 C ATOM 1665 CG GLU A 109 -10.344 -9.710 -7.193 1.00 1.41 C ATOM 1666 CD GLU A 109 -11.132 -10.165 -8.423 1.00 2.33 C ATOM 1667 OE1 GLU A 109 -11.146 -11.390 -8.671 1.00 3.15 O ATOM 1668 OE2 GLU A 109 -11.681 -9.274 -9.111 1.00 2.95 O ATOM 0 H GLU A 109 -7.823 -10.420 -5.530 1.00 0.73 H new ATOM 0 HA GLU A 109 -8.672 -11.618 -7.865 1.00 0.93 H new ATOM 0 HB2 GLU A 109 -8.433 -8.809 -6.818 1.00 1.14 H new ATOM 0 HB3 GLU A 109 -8.810 -9.004 -8.518 1.00 1.14 H new ATOM 0 HG2 GLU A 109 -10.428 -10.458 -6.404 1.00 1.41 H new ATOM 0 HG3 GLU A 109 -10.771 -8.786 -6.803 1.00 1.41 H new ATOM 1675 N SER A 110 -5.779 -10.022 -8.296 1.00 1.20 N ATOM 1676 CA SER A 110 -4.608 -9.934 -9.177 1.00 1.55 C ATOM 1677 C SER A 110 -4.947 -9.492 -10.609 1.00 2.04 C ATOM 1678 O SER A 110 -4.241 -8.668 -11.199 1.00 2.36 O ATOM 1679 CB SER A 110 -3.860 -11.270 -9.194 1.00 1.62 C ATOM 1680 OG SER A 110 -4.588 -12.226 -9.940 1.00 1.94 O ATOM 0 H SER A 110 -5.651 -9.549 -7.401 1.00 1.20 H new ATOM 0 HA SER A 110 -3.968 -9.155 -8.763 1.00 1.55 H new ATOM 0 HB2 SER A 110 -2.870 -11.135 -9.629 1.00 1.62 H new ATOM 0 HB3 SER A 110 -3.715 -11.627 -8.174 1.00 1.62 H new ATOM 0 HG SER A 110 -5.465 -11.858 -10.177 1.00 1.94 H new TER 1686 SER A 110 HETATM 1687 CA CA A 111 -13.771 0.279 2.205 1.00 0.54 CA HETATM 1688 CA CA A 112 -5.471 7.791 7.757 1.00 0.87 CA