USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 945 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 19 MET CE :methyl -121:sc= -3.49 (180deg=-8.87!) USER MOD Set 1.2: B 68 HIS : no HD1:sc= -3.27! C(o=-6.8!,f=-13!) USER MOD Set 2.1: B 27 LYS NZ :NH3+ -119:sc= -0.287 (180deg=-0.756) USER MOD Set 2.2: B 49 GLN : amide:sc= -5.46! C(o=-5.7!,f=-9.9!) USER MOD Set 3.1: A 11 SER OG : rot 140:sc= -0.0699 USER MOD Set 3.2: B 9 THR OG1 : rot -134:sc= -1.92! USER MOD Set 4.1: A 35 ASN : amide:sc= -1.59 K(o=-2.3,f=-5.3!) USER MOD Set 4.2: A 42 THR OG1 : rot 91:sc= -0.669! USER MOD Set 5.1: A 27 LYS NZ :NH3+ -143:sc= 1.28 (180deg=-0.652) USER MOD Set 5.2: A 31 HIS : no HE2:sc= 0.292 K(o=1.6,f=-11!) USER MOD Set 6.1: A 9 HIS : no HE2:sc= -2.89 K(o=-4.6,f=-6.6) USER MOD Set 6.2: A 37 ASN : amide:sc= -1.72! C(o=-4.6!,f=-9!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 63:sc= 0.0943 USER MOD Single : A 17 MET CE :methyl 160:sc= -0.145 (180deg=-0.753) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 166:sc= 1.05 (180deg=0.52) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc=-0.00153 X(o=-0.0015,f=0) USER MOD Single : A 36 ASN :FLIP amide:sc= 0.751 F(o=-1,f=0.75) USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= -0.0664 (180deg=-0.301) USER MOD Single : B 1 MET CE :methyl 160:sc= -1.2 (180deg=-1.98) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 GLN : amide:sc= -2.58! C(o=-2.6!,f=-11!) USER MOD Single : B 6 LYS NZ :NH3+ 162:sc= -0.0805 (180deg=-0.451) USER MOD Single : B 7 THR OG1 : rot -70:sc= 0.161 USER MOD Single : B 11 LYS NZ :NH3+ 167:sc= -0.0246 (180deg=-0.26) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 THR OG1 : rot -83:sc= 0.0821 USER MOD Single : B 19 SER OG : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot -52:sc= 0.91 USER MOD Single : B 22 THR OG1 : rot 57:sc= 0.759 USER MOD Single : B 25 ASN : amide:sc= -0.587 K(o=-0.59,f=-3.4!) USER MOD Single : B 28 SER OG : rot -32:sc= 0.995 USER MOD Single : B 29 LYS NZ :NH3+ 168:sc= -0.0131 (180deg=-0.218) USER MOD Single : B 31 GLN :FLIP amide:sc= -0.525 F(o=-1.4,f=-0.53) USER MOD Single : B 33 LYS NZ :NH3+ -148:sc= 1.16 (180deg=-0.303) USER MOD Single : B 40 GLN : amide:sc= -3.84 K(o=-3.8,f=-6.3!) USER MOD Single : B 41 GLN : amide:sc= -0.87 X(o=-0.87,f=-0.49) USER MOD Single : B 48 LYS NZ :NH3+ -166:sc= -0.0199 (180deg=-0.188) USER MOD Single : B 55 THR OG1 : rot 180:sc= -0.353 USER MOD Single : B 57 SER OG : rot 103:sc= 0.00313 USER MOD Single : B 59 TYR OH : rot -115:sc= 0.527 USER MOD Single : B 60 ASN : amide:sc= -0.499 X(o=-0.5,f=-0.51) USER MOD Single : B 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 65 SER OG : rot -173:sc= 1.12 USER MOD Single : B 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N ASP A 8 15.426 2.012 -0.807 1.00 0.00 N ATOM 28 CA ASP A 8 14.590 1.674 -1.957 1.00 0.00 C ATOM 29 C ASP A 8 13.177 2.224 -1.785 1.00 0.00 C ATOM 30 O ASP A 8 12.195 1.538 -2.072 1.00 0.00 O ATOM 31 CB ASP A 8 14.537 0.156 -2.148 1.00 0.00 C ATOM 32 CG ASP A 8 13.857 -0.243 -3.444 1.00 0.00 C ATOM 33 OD1 ASP A 8 14.351 0.155 -4.520 1.00 0.00 O ATOM 34 OD2 ASP A 8 12.830 -0.950 -3.383 1.00 0.00 O ATOM 0 HA ASP A 8 15.034 2.131 -2.842 1.00 0.00 H new ATOM 0 HB2 ASP A 8 15.551 -0.244 -2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 8 14.006 -0.294 -1.309 1.00 0.00 H new ATOM 39 N HIS A 9 13.075 3.463 -1.317 1.00 0.00 N ATOM 40 CA HIS A 9 11.773 4.083 -1.113 1.00 0.00 C ATOM 41 C HIS A 9 11.067 4.302 -2.447 1.00 0.00 C ATOM 42 O HIS A 9 9.848 4.429 -2.494 1.00 0.00 O ATOM 43 CB HIS A 9 11.876 5.394 -0.316 1.00 0.00 C ATOM 44 CG HIS A 9 12.236 6.620 -1.110 1.00 0.00 C ATOM 45 ND1 HIS A 9 11.920 7.892 -0.679 1.00 0.00 N ATOM 46 CD2 HIS A 9 12.884 6.778 -2.291 1.00 0.00 C ATOM 47 CE1 HIS A 9 12.351 8.776 -1.558 1.00 0.00 C ATOM 48 NE2 HIS A 9 12.941 8.128 -2.544 1.00 0.00 N ATOM 0 H HIS A 9 13.871 4.053 -1.074 1.00 0.00 H new ATOM 0 HA HIS A 9 11.174 3.396 -0.515 1.00 0.00 H new ATOM 0 HB2 HIS A 9 10.921 5.572 0.178 1.00 0.00 H new ATOM 0 HB3 HIS A 9 12.621 5.262 0.469 1.00 0.00 H new ATOM 0 HD1 HIS A 9 11.428 8.115 0.187 1.00 0.00 H new ATOM 0 HD2 HIS A 9 13.281 5.991 -2.915 1.00 0.00 H new ATOM 0 HE1 HIS A 9 12.240 9.848 -1.483 1.00 0.00 H new ATOM 57 N GLU A 10 11.849 4.366 -3.525 1.00 0.00 N ATOM 58 CA GLU A 10 11.306 4.594 -4.862 1.00 0.00 C ATOM 59 C GLU A 10 10.156 3.639 -5.164 1.00 0.00 C ATOM 60 O GLU A 10 9.153 4.038 -5.757 1.00 0.00 O ATOM 61 CB GLU A 10 12.405 4.435 -5.916 1.00 0.00 C ATOM 62 CG GLU A 10 13.045 3.056 -5.929 1.00 0.00 C ATOM 63 CD GLU A 10 14.113 2.921 -6.997 1.00 0.00 C ATOM 64 OE1 GLU A 10 15.098 3.688 -6.952 1.00 0.00 O ATOM 65 OE2 GLU A 10 13.965 2.048 -7.878 1.00 0.00 O ATOM 0 H GLU A 10 12.863 4.263 -3.497 1.00 0.00 H new ATOM 0 HA GLU A 10 10.920 5.613 -4.895 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.984 4.640 -6.900 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.178 5.183 -5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.485 2.854 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.274 2.303 -6.093 1.00 0.00 H new ATOM 72 N SER A 11 10.286 2.387 -4.737 1.00 0.00 N ATOM 73 CA SER A 11 9.228 1.408 -4.953 1.00 0.00 C ATOM 74 C SER A 11 7.987 1.852 -4.195 1.00 0.00 C ATOM 75 O SER A 11 6.866 1.820 -4.712 1.00 0.00 O ATOM 76 CB SER A 11 9.672 0.021 -4.482 1.00 0.00 C ATOM 77 OG SER A 11 8.652 -0.938 -4.698 1.00 0.00 O ATOM 0 H SER A 11 11.105 2.029 -4.245 1.00 0.00 H new ATOM 0 HA SER A 11 9.005 1.344 -6.018 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.575 -0.277 -5.015 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.925 0.056 -3.422 1.00 0.00 H new ATOM 0 HG SER A 11 9.052 -1.775 -5.014 1.00 0.00 H new ATOM 83 N LYS A 12 8.214 2.299 -2.966 1.00 0.00 N ATOM 84 CA LYS A 12 7.146 2.790 -2.114 1.00 0.00 C ATOM 85 C LYS A 12 6.510 4.012 -2.764 1.00 0.00 C ATOM 86 O LYS A 12 5.297 4.210 -2.698 1.00 0.00 O ATOM 87 CB LYS A 12 7.706 3.150 -0.736 1.00 0.00 C ATOM 88 CG LYS A 12 8.711 2.139 -0.203 1.00 0.00 C ATOM 89 CD LYS A 12 8.126 0.738 -0.146 1.00 0.00 C ATOM 90 CE LYS A 12 9.157 -0.279 0.319 1.00 0.00 C ATOM 91 NZ LYS A 12 8.613 -1.664 0.299 1.00 0.00 N ATOM 0 H LYS A 12 9.139 2.330 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 12 6.389 2.016 -1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.182 4.129 -0.791 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.881 3.237 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.597 2.137 -0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 12 9.034 2.439 0.794 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.272 0.727 0.531 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.755 0.457 -1.132 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.037 -0.224 -0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.483 -0.031 1.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.344 -2.329 0.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.789 -1.722 0.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.325 -1.910 -0.670 1.00 0.00 H new ATOM 105 N LEU A 13 7.350 4.817 -3.413 1.00 0.00 N ATOM 106 CA LEU A 13 6.889 6.008 -4.106 1.00 0.00 C ATOM 107 C LEU A 13 5.909 5.600 -5.192 1.00 0.00 C ATOM 108 O LEU A 13 4.876 6.242 -5.386 1.00 0.00 O ATOM 109 CB LEU A 13 8.072 6.769 -4.711 1.00 0.00 C ATOM 110 CG LEU A 13 7.712 8.073 -5.427 1.00 0.00 C ATOM 111 CD1 LEU A 13 7.055 9.049 -4.464 1.00 0.00 C ATOM 112 CD2 LEU A 13 8.952 8.695 -6.053 1.00 0.00 C ATOM 0 H LEU A 13 8.356 4.661 -3.470 1.00 0.00 H new ATOM 0 HA LEU A 13 6.391 6.670 -3.397 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.783 6.994 -3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.581 6.114 -5.418 1.00 0.00 H new ATOM 0 HG LEU A 13 7.001 7.844 -6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.807 9.970 -4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.145 8.605 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.742 9.273 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.679 9.621 -6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.684 8.909 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.382 8.001 -6.775 1.00 0.00 H new ATOM 124 N SER A 14 6.228 4.502 -5.875 1.00 0.00 N ATOM 125 CA SER A 14 5.361 3.976 -6.916 1.00 0.00 C ATOM 126 C SER A 14 4.010 3.653 -6.302 1.00 0.00 C ATOM 127 O SER A 14 2.956 3.973 -6.867 1.00 0.00 O ATOM 128 CB SER A 14 5.972 2.725 -7.551 1.00 0.00 C ATOM 129 OG SER A 14 7.237 3.010 -8.123 1.00 0.00 O ATOM 0 H SER A 14 7.081 3.963 -5.723 1.00 0.00 H new ATOM 0 HA SER A 14 5.242 4.721 -7.703 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.078 1.945 -6.797 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.301 2.338 -8.318 1.00 0.00 H new ATOM 0 HG SER A 14 7.856 3.298 -7.420 1.00 0.00 H new ATOM 135 N ILE A 15 4.049 3.044 -5.114 1.00 0.00 N ATOM 136 CA ILE A 15 2.825 2.717 -4.404 1.00 0.00 C ATOM 137 C ILE A 15 1.985 3.972 -4.271 1.00 0.00 C ATOM 138 O ILE A 15 0.791 3.956 -4.539 1.00 0.00 O ATOM 139 CB ILE A 15 3.080 2.165 -2.986 1.00 0.00 C ATOM 140 CG1 ILE A 15 4.010 0.951 -3.012 1.00 0.00 C ATOM 141 CG2 ILE A 15 1.759 1.804 -2.327 1.00 0.00 C ATOM 142 CD1 ILE A 15 3.566 -0.147 -3.951 1.00 0.00 C ATOM 0 H ILE A 15 4.907 2.773 -4.634 1.00 0.00 H new ATOM 0 HA ILE A 15 2.319 1.943 -4.981 1.00 0.00 H new ATOM 0 HB ILE A 15 3.573 2.944 -2.405 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.009 1.278 -3.300 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.086 0.543 -2.004 1.00 0.00 H new ATOM 0 HG21 ILE A 15 1.946 1.415 -1.326 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.131 2.693 -2.259 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.251 1.045 -2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.279 -0.971 -3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.581 -0.505 -3.652 1.00 0.00 H new ATOM 0 HD13 ILE A 15 3.518 0.242 -4.968 1.00 0.00 H new ATOM 154 N LEU A 16 2.636 5.063 -3.865 1.00 0.00 N ATOM 155 CA LEU A 16 1.965 6.347 -3.702 1.00 0.00 C ATOM 156 C LEU A 16 1.375 6.814 -5.026 1.00 0.00 C ATOM 157 O LEU A 16 0.297 7.405 -5.059 1.00 0.00 O ATOM 158 CB LEU A 16 2.941 7.402 -3.173 1.00 0.00 C ATOM 159 CG LEU A 16 3.552 7.108 -1.801 1.00 0.00 C ATOM 160 CD1 LEU A 16 4.531 8.204 -1.409 1.00 0.00 C ATOM 161 CD2 LEU A 16 2.463 6.971 -0.748 1.00 0.00 C ATOM 0 H LEU A 16 3.631 5.079 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 16 1.159 6.217 -2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.750 7.517 -3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.421 8.359 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 16 4.093 6.164 -1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.956 7.979 -0.431 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.330 8.259 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.009 9.160 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.918 6.762 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.895 7.899 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.795 6.153 -1.019 1.00 0.00 H new ATOM 173 N MET A 17 2.092 6.552 -6.115 1.00 0.00 N ATOM 174 CA MET A 17 1.637 6.952 -7.441 1.00 0.00 C ATOM 175 C MET A 17 0.252 6.386 -7.728 1.00 0.00 C ATOM 176 O MET A 17 -0.661 7.120 -8.108 1.00 0.00 O ATOM 177 CB MET A 17 2.624 6.478 -8.509 1.00 0.00 C ATOM 178 CG MET A 17 4.026 7.037 -8.333 1.00 0.00 C ATOM 179 SD MET A 17 5.164 6.470 -9.611 1.00 0.00 S ATOM 180 CE MET A 17 4.380 7.127 -11.082 1.00 0.00 C ATOM 0 H MET A 17 2.988 6.065 -6.105 1.00 0.00 H new ATOM 0 HA MET A 17 1.582 8.040 -7.467 1.00 0.00 H new ATOM 0 HB2 MET A 17 2.671 5.389 -8.491 1.00 0.00 H new ATOM 0 HB3 MET A 17 2.248 6.764 -9.491 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.983 8.126 -8.347 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.409 6.746 -7.355 1.00 0.00 H new ATOM 0 HE1 MET A 17 5.109 7.179 -11.891 1.00 0.00 H new ATOM 0 HE2 MET A 17 3.557 6.476 -11.377 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.996 8.126 -10.875 1.00 0.00 H new ATOM 190 N ASP A 18 0.099 5.079 -7.539 1.00 0.00 N ATOM 191 CA ASP A 18 -1.185 4.422 -7.775 1.00 0.00 C ATOM 192 C ASP A 18 -2.113 4.594 -6.572 1.00 0.00 C ATOM 193 O ASP A 18 -3.336 4.558 -6.705 1.00 0.00 O ATOM 194 CB ASP A 18 -0.983 2.937 -8.080 1.00 0.00 C ATOM 195 CG ASP A 18 -2.264 2.261 -8.529 1.00 0.00 C ATOM 196 OD1 ASP A 18 -2.838 2.696 -9.549 1.00 0.00 O ATOM 197 OD2 ASP A 18 -2.693 1.297 -7.863 1.00 0.00 O ATOM 0 H ASP A 18 0.843 4.456 -7.225 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.651 4.894 -8.640 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.226 2.828 -8.857 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.602 2.434 -7.191 1.00 0.00 H new ATOM 202 N MET A 19 -1.515 4.777 -5.398 1.00 0.00 N ATOM 203 CA MET A 19 -2.268 4.955 -4.158 1.00 0.00 C ATOM 204 C MET A 19 -3.066 6.256 -4.202 1.00 0.00 C ATOM 205 O MET A 19 -4.198 6.320 -3.725 1.00 0.00 O ATOM 206 CB MET A 19 -1.313 4.967 -2.957 1.00 0.00 C ATOM 207 CG MET A 19 -2.007 4.848 -1.611 1.00 0.00 C ATOM 208 SD MET A 19 -2.673 3.201 -1.313 1.00 0.00 S ATOM 209 CE MET A 19 -1.217 2.352 -0.713 1.00 0.00 C ATOM 0 H MET A 19 -0.502 4.806 -5.278 1.00 0.00 H new ATOM 0 HA MET A 19 -2.962 4.122 -4.051 1.00 0.00 H new ATOM 0 HB2 MET A 19 -0.604 4.146 -3.062 1.00 0.00 H new ATOM 0 HB3 MET A 19 -0.735 5.891 -2.975 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.300 5.098 -0.820 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.816 5.577 -1.558 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.998 1.503 -1.361 1.00 0.00 H new ATOM 0 HE2 MET A 19 -0.370 3.038 -0.715 1.00 0.00 H new ATOM 0 HE3 MET A 19 -1.395 1.997 0.302 1.00 0.00 H new ATOM 219 N PHE A 20 -2.462 7.287 -4.789 1.00 0.00 N ATOM 220 CA PHE A 20 -3.104 8.592 -4.913 1.00 0.00 C ATOM 221 C PHE A 20 -2.865 9.162 -6.311 1.00 0.00 C ATOM 222 O PHE A 20 -2.126 10.134 -6.474 1.00 0.00 O ATOM 223 CB PHE A 20 -2.562 9.579 -3.872 1.00 0.00 C ATOM 224 CG PHE A 20 -2.351 8.991 -2.505 1.00 0.00 C ATOM 225 CD1 PHE A 20 -3.381 8.962 -1.580 1.00 0.00 C ATOM 226 CD2 PHE A 20 -1.118 8.469 -2.147 1.00 0.00 C ATOM 227 CE1 PHE A 20 -3.184 8.424 -0.321 1.00 0.00 C ATOM 228 CE2 PHE A 20 -0.916 7.933 -0.891 1.00 0.00 C ATOM 229 CZ PHE A 20 -1.950 7.909 0.023 1.00 0.00 C ATOM 0 H PHE A 20 -1.524 7.242 -5.188 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.172 8.454 -4.743 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -1.615 9.982 -4.231 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.254 10.417 -3.790 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.348 9.364 -1.844 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.306 8.482 -2.859 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.995 8.407 0.392 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.051 7.533 -0.624 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.794 7.488 1.005 1.00 0.00 H new ATOM 239 N PRO A 21 -3.482 8.562 -7.346 1.00 0.00 N ATOM 240 CA PRO A 21 -3.325 9.013 -8.732 1.00 0.00 C ATOM 241 C PRO A 21 -3.564 10.512 -8.883 1.00 0.00 C ATOM 242 O PRO A 21 -2.848 11.193 -9.618 1.00 0.00 O ATOM 243 CB PRO A 21 -4.392 8.220 -9.506 1.00 0.00 C ATOM 244 CG PRO A 21 -5.243 7.565 -8.468 1.00 0.00 C ATOM 245 CD PRO A 21 -4.375 7.401 -7.257 1.00 0.00 C ATOM 0 HA PRO A 21 -2.311 8.844 -9.095 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -4.986 8.879 -10.140 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.931 7.479 -10.159 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.117 8.175 -8.240 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.610 6.600 -8.818 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -4.958 7.407 -6.336 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.823 6.462 -7.278 1.00 0.00 H new ATOM 253 N ALA A 22 -4.574 11.017 -8.185 1.00 0.00 N ATOM 254 CA ALA A 22 -4.912 12.435 -8.240 1.00 0.00 C ATOM 255 C ALA A 22 -3.765 13.304 -7.725 1.00 0.00 C ATOM 256 O ALA A 22 -3.428 14.324 -8.328 1.00 0.00 O ATOM 257 CB ALA A 22 -6.177 12.704 -7.441 1.00 0.00 C ATOM 0 H ALA A 22 -5.175 10.465 -7.573 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.086 12.698 -9.284 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.419 13.766 -7.490 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.001 12.125 -7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.019 12.415 -6.402 1.00 0.00 H new ATOM 263 N ILE A 23 -3.176 12.898 -6.604 1.00 0.00 N ATOM 264 CA ILE A 23 -2.074 13.642 -6.002 1.00 0.00 C ATOM 265 C ILE A 23 -0.829 13.618 -6.888 1.00 0.00 C ATOM 266 O ILE A 23 -0.492 12.592 -7.479 1.00 0.00 O ATOM 267 CB ILE A 23 -1.721 13.088 -4.606 1.00 0.00 C ATOM 268 CG1 ILE A 23 -2.931 13.209 -3.675 1.00 0.00 C ATOM 269 CG2 ILE A 23 -0.520 13.825 -4.028 1.00 0.00 C ATOM 270 CD1 ILE A 23 -2.691 12.661 -2.285 1.00 0.00 C ATOM 0 H ILE A 23 -3.444 12.057 -6.093 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.410 14.674 -5.900 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.458 12.034 -4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.214 14.259 -3.597 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.775 12.683 -4.122 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.285 13.421 -3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.338 13.696 -4.687 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.753 14.886 -3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.593 12.783 -1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.438 11.603 -2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.869 13.202 -1.817 1.00 0.00 H new ATOM 282 N SER A 24 -0.152 14.762 -6.970 1.00 0.00 N ATOM 283 CA SER A 24 1.056 14.891 -7.779 1.00 0.00 C ATOM 284 C SER A 24 2.170 13.984 -7.260 1.00 0.00 C ATOM 285 O SER A 24 2.300 13.770 -6.055 1.00 0.00 O ATOM 286 CB SER A 24 1.534 16.344 -7.791 1.00 0.00 C ATOM 287 OG SER A 24 2.694 16.493 -8.591 1.00 0.00 O ATOM 0 H SER A 24 -0.422 15.616 -6.483 1.00 0.00 H new ATOM 0 HA SER A 24 0.810 14.584 -8.796 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.741 16.988 -8.171 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.747 16.668 -6.772 1.00 0.00 H new ATOM 0 HG SER A 24 2.978 17.431 -8.584 1.00 0.00 H new ATOM 293 N LYS A 25 2.970 13.456 -8.183 1.00 0.00 N ATOM 294 CA LYS A 25 4.076 12.570 -7.830 1.00 0.00 C ATOM 295 C LYS A 25 5.064 13.264 -6.895 1.00 0.00 C ATOM 296 O LYS A 25 5.477 12.697 -5.883 1.00 0.00 O ATOM 297 CB LYS A 25 4.798 12.104 -9.096 1.00 0.00 C ATOM 298 CG LYS A 25 5.958 11.160 -8.827 1.00 0.00 C ATOM 299 CD LYS A 25 6.674 10.776 -10.112 1.00 0.00 C ATOM 300 CE LYS A 25 7.824 9.819 -9.845 1.00 0.00 C ATOM 301 NZ LYS A 25 7.359 8.553 -9.217 1.00 0.00 N ATOM 0 H LYS A 25 2.872 13.627 -9.184 1.00 0.00 H new ATOM 0 HA LYS A 25 3.663 11.706 -7.309 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.081 11.607 -9.750 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.169 12.977 -9.634 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.663 11.634 -8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.590 10.261 -8.332 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.966 10.313 -10.800 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.052 11.674 -10.601 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.333 9.594 -10.782 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.553 10.301 -9.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.116 7.842 -9.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.114 8.729 -8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.521 8.202 -9.723 1.00 0.00 H new ATOM 315 N SER A 26 5.441 14.493 -7.242 1.00 0.00 N ATOM 316 CA SER A 26 6.384 15.264 -6.435 1.00 0.00 C ATOM 317 C SER A 26 5.879 15.416 -5.004 1.00 0.00 C ATOM 318 O SER A 26 6.639 15.259 -4.048 1.00 0.00 O ATOM 319 CB SER A 26 6.612 16.643 -7.055 1.00 0.00 C ATOM 320 OG SER A 26 7.149 16.534 -8.361 1.00 0.00 O ATOM 0 H SER A 26 5.108 14.976 -8.076 1.00 0.00 H new ATOM 0 HA SER A 26 7.330 14.722 -6.413 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.669 17.189 -7.091 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.291 17.220 -6.427 1.00 0.00 H new ATOM 0 HG SER A 26 7.284 17.430 -8.735 1.00 0.00 H new ATOM 326 N LYS A 27 4.593 15.717 -4.867 1.00 0.00 N ATOM 327 CA LYS A 27 3.980 15.885 -3.556 1.00 0.00 C ATOM 328 C LYS A 27 4.126 14.610 -2.729 1.00 0.00 C ATOM 329 O LYS A 27 4.475 14.658 -1.548 1.00 0.00 O ATOM 330 CB LYS A 27 2.503 16.252 -3.717 1.00 0.00 C ATOM 331 CG LYS A 27 1.757 16.418 -2.404 1.00 0.00 C ATOM 332 CD LYS A 27 0.335 16.906 -2.638 1.00 0.00 C ATOM 333 CE LYS A 27 -0.464 16.946 -1.347 1.00 0.00 C ATOM 334 NZ LYS A 27 -0.604 15.593 -0.738 1.00 0.00 N ATOM 0 H LYS A 27 3.953 15.850 -5.650 1.00 0.00 H new ATOM 0 HA LYS A 27 4.490 16.692 -3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.430 17.180 -4.283 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.010 15.479 -4.307 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.735 15.467 -1.872 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.288 17.127 -1.768 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.360 17.901 -3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.162 16.251 -3.353 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.025 17.614 -0.638 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.453 17.359 -1.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.549 15.500 -0.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.482 14.867 -1.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.121 15.467 -0.003 1.00 0.00 H new ATOM 348 N LEU A 28 3.866 13.472 -3.364 1.00 0.00 N ATOM 349 CA LEU A 28 3.975 12.180 -2.698 1.00 0.00 C ATOM 350 C LEU A 28 5.395 11.949 -2.188 1.00 0.00 C ATOM 351 O LEU A 28 5.591 11.476 -1.068 1.00 0.00 O ATOM 352 CB LEU A 28 3.565 11.060 -3.658 1.00 0.00 C ATOM 353 CG LEU A 28 2.113 11.123 -4.139 1.00 0.00 C ATOM 354 CD1 LEU A 28 1.858 10.078 -5.212 1.00 0.00 C ATOM 355 CD2 LEU A 28 1.157 10.932 -2.971 1.00 0.00 C ATOM 0 H LEU A 28 3.578 13.419 -4.341 1.00 0.00 H new ATOM 0 HA LEU A 28 3.303 12.176 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.222 11.088 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.728 10.101 -3.166 1.00 0.00 H new ATOM 0 HG LEU A 28 1.938 12.108 -4.572 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.820 10.139 -5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.518 10.259 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.052 9.085 -4.806 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.129 10.980 -3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.335 9.961 -2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.321 11.719 -2.235 1.00 0.00 H new ATOM 367 N GLN A 29 6.382 12.292 -3.013 1.00 0.00 N ATOM 368 CA GLN A 29 7.784 12.131 -2.641 1.00 0.00 C ATOM 369 C GLN A 29 8.114 12.966 -1.407 1.00 0.00 C ATOM 370 O GLN A 29 8.813 12.508 -0.503 1.00 0.00 O ATOM 371 CB GLN A 29 8.692 12.540 -3.804 1.00 0.00 C ATOM 372 CG GLN A 29 10.175 12.383 -3.504 1.00 0.00 C ATOM 373 CD GLN A 29 11.053 12.808 -4.666 1.00 0.00 C ATOM 374 OE1 GLN A 29 11.018 13.960 -5.097 1.00 0.00 O ATOM 375 NE2 GLN A 29 11.848 11.876 -5.179 1.00 0.00 N ATOM 0 H GLN A 29 6.236 12.683 -3.944 1.00 0.00 H new ATOM 0 HA GLN A 29 7.956 11.080 -2.407 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.441 11.939 -4.678 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.490 13.579 -4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 29 10.429 12.976 -2.625 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.384 11.342 -3.257 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.845 10.933 -4.791 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.462 12.103 -5.961 1.00 0.00 H new ATOM 384 N VAL A 30 7.604 14.194 -1.380 1.00 0.00 N ATOM 385 CA VAL A 30 7.843 15.098 -0.260 1.00 0.00 C ATOM 386 C VAL A 30 7.334 14.502 1.048 1.00 0.00 C ATOM 387 O VAL A 30 8.074 14.419 2.028 1.00 0.00 O ATOM 388 CB VAL A 30 7.165 16.464 -0.490 1.00 0.00 C ATOM 389 CG1 VAL A 30 7.389 17.389 0.698 1.00 0.00 C ATOM 390 CG2 VAL A 30 7.677 17.104 -1.772 1.00 0.00 C ATOM 0 H VAL A 30 7.023 14.586 -2.121 1.00 0.00 H new ATOM 0 HA VAL A 30 8.921 15.242 -0.192 1.00 0.00 H new ATOM 0 HB VAL A 30 6.092 16.298 -0.591 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.901 18.346 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.968 16.936 1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.458 17.548 0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.188 18.067 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 30 8.755 17.252 -1.700 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.456 16.452 -2.617 1.00 0.00 H new ATOM 400 N HIS A 31 6.070 14.087 1.057 1.00 0.00 N ATOM 401 CA HIS A 31 5.471 13.500 2.252 1.00 0.00 C ATOM 402 C HIS A 31 6.262 12.287 2.725 1.00 0.00 C ATOM 403 O HIS A 31 6.579 12.166 3.906 1.00 0.00 O ATOM 404 CB HIS A 31 4.020 13.098 1.983 1.00 0.00 C ATOM 405 CG HIS A 31 3.129 14.253 1.655 1.00 0.00 C ATOM 406 ND1 HIS A 31 2.946 15.326 2.499 1.00 0.00 N ATOM 407 CD2 HIS A 31 2.369 14.500 0.564 1.00 0.00 C ATOM 408 CE1 HIS A 31 2.111 16.184 1.942 1.00 0.00 C ATOM 409 NE2 HIS A 31 1.746 15.708 0.767 1.00 0.00 N ATOM 0 H HIS A 31 5.443 14.146 0.254 1.00 0.00 H new ATOM 0 HA HIS A 31 5.493 14.255 3.038 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.996 12.386 1.158 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.626 12.584 2.859 1.00 0.00 H new ATOM 0 HD1 HIS A 31 3.387 15.440 3.412 1.00 0.00 H new ATOM 0 HD2 HIS A 31 2.270 13.866 -0.305 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.783 17.117 2.375 1.00 0.00 H new ATOM 418 N LEU A 32 6.576 11.392 1.795 1.00 0.00 N ATOM 419 CA LEU A 32 7.328 10.184 2.117 1.00 0.00 C ATOM 420 C LEU A 32 8.635 10.527 2.827 1.00 0.00 C ATOM 421 O LEU A 32 9.006 9.884 3.808 1.00 0.00 O ATOM 422 CB LEU A 32 7.618 9.387 0.841 1.00 0.00 C ATOM 423 CG LEU A 32 8.370 8.071 1.046 1.00 0.00 C ATOM 424 CD1 LEU A 32 7.554 7.114 1.903 1.00 0.00 C ATOM 425 CD2 LEU A 32 8.704 7.436 -0.294 1.00 0.00 C ATOM 0 H LEU A 32 6.321 11.480 0.811 1.00 0.00 H new ATOM 0 HA LEU A 32 6.723 9.576 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 32 6.672 9.172 0.345 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.197 10.015 0.164 1.00 0.00 H new ATOM 0 HG LEU A 32 9.302 8.286 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 32 8.107 6.184 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.366 7.567 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.604 6.904 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.239 6.501 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.783 7.236 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.330 8.115 -0.873 1.00 0.00 H new ATOM 437 N LEU A 33 9.326 11.542 2.321 1.00 0.00 N ATOM 438 CA LEU A 33 10.595 11.974 2.900 1.00 0.00 C ATOM 439 C LEU A 33 10.408 12.576 4.290 1.00 0.00 C ATOM 440 O LEU A 33 11.273 12.435 5.155 1.00 0.00 O ATOM 441 CB LEU A 33 11.274 12.995 1.983 1.00 0.00 C ATOM 442 CG LEU A 33 11.693 12.467 0.610 1.00 0.00 C ATOM 443 CD1 LEU A 33 12.223 13.597 -0.257 1.00 0.00 C ATOM 444 CD2 LEU A 33 12.742 11.375 0.757 1.00 0.00 C ATOM 0 H LEU A 33 9.029 12.083 1.509 1.00 0.00 H new ATOM 0 HA LEU A 33 11.227 11.091 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.596 13.836 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.158 13.382 2.490 1.00 0.00 H new ATOM 0 HG LEU A 33 10.816 12.041 0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.516 13.202 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.445 14.349 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 33 13.088 14.051 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.029 11.011 -0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.619 11.778 1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 33 12.331 10.552 1.342 1.00 0.00 H new ATOM 456 N GLU A 34 9.288 13.264 4.497 1.00 0.00 N ATOM 457 CA GLU A 34 9.011 13.903 5.780 1.00 0.00 C ATOM 458 C GLU A 34 9.066 12.905 6.933 1.00 0.00 C ATOM 459 O GLU A 34 9.815 13.097 7.891 1.00 0.00 O ATOM 460 CB GLU A 34 7.643 14.587 5.753 1.00 0.00 C ATOM 461 CG GLU A 34 7.537 15.695 4.718 1.00 0.00 C ATOM 462 CD GLU A 34 6.199 16.408 4.760 1.00 0.00 C ATOM 463 OE1 GLU A 34 5.857 16.964 5.824 1.00 0.00 O ATOM 464 OE2 GLU A 34 5.496 16.413 3.728 1.00 0.00 O ATOM 0 H GLU A 34 8.560 13.393 3.795 1.00 0.00 H new ATOM 0 HA GLU A 34 9.787 14.651 5.944 1.00 0.00 H new ATOM 0 HB2 GLU A 34 6.876 13.839 5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 34 7.434 15.001 6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 34 8.335 16.419 4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.689 15.274 3.724 1.00 0.00 H new ATOM 471 N ASN A 35 8.262 11.852 6.847 1.00 0.00 N ATOM 472 CA ASN A 35 8.216 10.842 7.897 1.00 0.00 C ATOM 473 C ASN A 35 9.569 10.150 8.063 1.00 0.00 C ATOM 474 O ASN A 35 10.264 10.372 9.056 1.00 0.00 O ATOM 475 CB ASN A 35 7.129 9.815 7.582 1.00 0.00 C ATOM 476 CG ASN A 35 5.855 10.475 7.101 1.00 0.00 C ATOM 477 OD1 ASN A 35 5.809 11.032 6.007 1.00 0.00 O ATOM 478 ND2 ASN A 35 4.817 10.433 7.916 1.00 0.00 N ATOM 0 H ASN A 35 7.634 11.676 6.063 1.00 0.00 H new ATOM 0 HA ASN A 35 7.980 11.339 8.838 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.491 9.125 6.820 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.918 9.224 8.473 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.938 10.873 7.645 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.895 9.961 8.817 1.00 0.00 H new ATOM 485 N ASN A 36 9.934 9.324 7.079 1.00 0.00 N ATOM 486 CA ASN A 36 11.202 8.592 7.092 1.00 0.00 C ATOM 487 C ASN A 36 11.186 7.522 6.003 1.00 0.00 C ATOM 488 O ASN A 36 11.614 6.389 6.220 1.00 0.00 O ATOM 489 CB ASN A 36 11.448 7.939 8.460 1.00 0.00 C ATOM 490 CG ASN A 36 12.887 7.491 8.647 1.00 0.00 C ATOM 491 OD1 ASN A 36 13.559 8.067 9.637 1.00 0.00 O flip ATOM 492 ND2 ASN A 36 13.391 6.642 7.913 1.00 0.00 N flip ATOM 0 H ASN A 36 9.361 9.145 6.254 1.00 0.00 H new ATOM 0 HA ASN A 36 12.010 9.298 6.902 1.00 0.00 H new ATOM 0 HB2 ASN A 36 11.187 8.646 9.247 1.00 0.00 H new ATOM 0 HB3 ASN A 36 10.787 7.079 8.572 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.840 6.224 7.164 1.00 0.00 H new ATOM 0 HD22 ASN A 36 14.360 6.356 8.054 1.00 0.00 H new ATOM 499 N ASN A 37 10.673 7.892 4.834 1.00 0.00 N ATOM 500 CA ASN A 37 10.582 6.971 3.706 1.00 0.00 C ATOM 501 C ASN A 37 9.776 5.730 4.082 1.00 0.00 C ATOM 502 O ASN A 37 10.128 4.611 3.707 1.00 0.00 O ATOM 503 CB ASN A 37 11.983 6.565 3.237 1.00 0.00 C ATOM 504 CG ASN A 37 12.832 7.762 2.855 1.00 0.00 C ATOM 505 OD1 ASN A 37 12.476 8.534 1.965 1.00 0.00 O ATOM 506 ND2 ASN A 37 13.968 7.920 3.527 1.00 0.00 N ATOM 0 H ASN A 37 10.313 8.827 4.643 1.00 0.00 H new ATOM 0 HA ASN A 37 10.069 7.481 2.891 1.00 0.00 H new ATOM 0 HB2 ASN A 37 12.481 6.007 4.030 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.897 5.895 2.381 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.583 8.705 3.312 1.00 0.00 H new ATOM 0 HD22 ASN A 37 14.225 7.256 4.258 1.00 0.00 H new ATOM 513 N ASP A 38 8.689 5.935 4.824 1.00 0.00 N ATOM 514 CA ASP A 38 7.832 4.831 5.249 1.00 0.00 C ATOM 515 C ASP A 38 6.401 5.029 4.761 1.00 0.00 C ATOM 516 O ASP A 38 5.834 6.114 4.889 1.00 0.00 O ATOM 517 CB ASP A 38 7.850 4.694 6.773 1.00 0.00 C ATOM 518 CG ASP A 38 9.218 4.312 7.309 1.00 0.00 C ATOM 519 OD1 ASP A 38 10.148 4.134 6.494 1.00 0.00 O ATOM 520 OD2 ASP A 38 9.358 4.188 8.543 1.00 0.00 O ATOM 0 H ASP A 38 8.382 6.854 5.143 1.00 0.00 H new ATOM 0 HA ASP A 38 8.223 3.915 4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.538 5.637 7.222 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.122 3.941 7.075 1.00 0.00 H new ATOM 525 N LEU A 39 5.825 3.972 4.199 1.00 0.00 N ATOM 526 CA LEU A 39 4.460 4.020 3.686 1.00 0.00 C ATOM 527 C LEU A 39 3.433 4.059 4.813 1.00 0.00 C ATOM 528 O LEU A 39 2.431 4.760 4.722 1.00 0.00 O ATOM 529 CB LEU A 39 4.192 2.815 2.781 1.00 0.00 C ATOM 530 CG LEU A 39 4.980 2.795 1.470 1.00 0.00 C ATOM 531 CD1 LEU A 39 4.697 1.517 0.697 1.00 0.00 C ATOM 532 CD2 LEU A 39 4.640 4.015 0.624 1.00 0.00 C ATOM 0 H LEU A 39 6.284 3.068 4.087 1.00 0.00 H new ATOM 0 HA LEU A 39 4.359 4.939 3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.420 1.906 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.128 2.787 2.547 1.00 0.00 H new ATOM 0 HG LEU A 39 6.043 2.826 1.708 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.266 1.520 -0.233 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.989 0.656 1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.632 1.457 0.470 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.210 3.984 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.574 4.014 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.892 4.921 1.174 1.00 0.00 H new ATOM 544 N ASP A 40 3.676 3.289 5.867 1.00 0.00 N ATOM 545 CA ASP A 40 2.750 3.231 6.994 1.00 0.00 C ATOM 546 C ASP A 40 2.459 4.621 7.564 1.00 0.00 C ATOM 547 O ASP A 40 1.299 4.992 7.747 1.00 0.00 O ATOM 548 CB ASP A 40 3.313 2.327 8.092 1.00 0.00 C ATOM 549 CG ASP A 40 2.395 2.239 9.295 1.00 0.00 C ATOM 550 OD1 ASP A 40 1.241 1.790 9.130 1.00 0.00 O ATOM 551 OD2 ASP A 40 2.829 2.620 10.402 1.00 0.00 O ATOM 0 H ASP A 40 4.502 2.699 5.966 1.00 0.00 H new ATOM 0 HA ASP A 40 1.811 2.818 6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.475 1.328 7.688 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.285 2.705 8.407 1.00 0.00 H new ATOM 556 N LEU A 41 3.512 5.380 7.849 1.00 0.00 N ATOM 557 CA LEU A 41 3.367 6.713 8.406 1.00 0.00 C ATOM 558 C LEU A 41 2.890 7.721 7.362 1.00 0.00 C ATOM 559 O LEU A 41 1.884 8.408 7.561 1.00 0.00 O ATOM 560 CB LEU A 41 4.703 7.162 8.995 1.00 0.00 C ATOM 561 CG LEU A 41 5.092 6.506 10.323 1.00 0.00 C ATOM 562 CD1 LEU A 41 5.316 5.011 10.145 1.00 0.00 C ATOM 563 CD2 LEU A 41 6.335 7.168 10.898 1.00 0.00 C ATOM 0 H LEU A 41 4.478 5.089 7.701 1.00 0.00 H new ATOM 0 HA LEU A 41 2.608 6.672 9.187 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.488 6.960 8.266 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.672 8.242 9.139 1.00 0.00 H new ATOM 0 HG LEU A 41 4.269 6.643 11.025 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.591 4.568 11.102 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.400 4.547 9.780 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.118 4.846 9.425 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.598 6.690 11.842 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.161 7.063 10.195 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.137 8.226 11.070 1.00 0.00 H new ATOM 575 N THR A 42 3.621 7.816 6.254 1.00 0.00 N ATOM 576 CA THR A 42 3.279 8.752 5.188 1.00 0.00 C ATOM 577 C THR A 42 1.848 8.549 4.706 1.00 0.00 C ATOM 578 O THR A 42 1.050 9.485 4.696 1.00 0.00 O ATOM 579 CB THR A 42 4.238 8.611 3.989 1.00 0.00 C ATOM 580 OG1 THR A 42 5.590 8.806 4.419 1.00 0.00 O ATOM 581 CG2 THR A 42 3.900 9.621 2.901 1.00 0.00 C ATOM 0 H THR A 42 4.454 7.256 6.072 1.00 0.00 H new ATOM 0 HA THR A 42 3.375 9.753 5.608 1.00 0.00 H new ATOM 0 HB THR A 42 4.125 7.607 3.580 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.979 7.944 4.676 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.591 9.501 2.066 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.880 9.455 2.555 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.987 10.631 3.302 1.00 0.00 H new ATOM 589 N ILE A 43 1.528 7.322 4.309 1.00 0.00 N ATOM 590 CA ILE A 43 0.191 7.006 3.828 1.00 0.00 C ATOM 591 C ILE A 43 -0.830 7.085 4.957 1.00 0.00 C ATOM 592 O ILE A 43 -1.952 7.547 4.752 1.00 0.00 O ATOM 593 CB ILE A 43 0.126 5.606 3.188 1.00 0.00 C ATOM 594 CG1 ILE A 43 1.172 5.476 2.077 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.269 5.348 2.639 1.00 0.00 C ATOM 596 CD1 ILE A 43 1.213 4.104 1.438 1.00 0.00 C ATOM 0 H ILE A 43 2.175 6.533 4.311 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.049 7.749 3.067 1.00 0.00 H new ATOM 0 HB ILE A 43 0.345 4.861 3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.966 6.220 1.307 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.155 5.706 2.487 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.305 4.356 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.995 5.405 3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.508 6.098 1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.977 4.087 0.661 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.450 3.357 2.195 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.242 3.879 0.997 1.00 0.00 H new ATOM 608 N GLY A 44 -0.437 6.630 6.147 1.00 0.00 N ATOM 609 CA GLY A 44 -1.340 6.662 7.285 1.00 0.00 C ATOM 610 C GLY A 44 -1.982 8.022 7.468 1.00 0.00 C ATOM 611 O GLY A 44 -3.204 8.131 7.575 1.00 0.00 O ATOM 0 H GLY A 44 0.486 6.242 6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.118 5.910 7.151 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.792 6.396 8.189 1.00 0.00 H new ATOM 615 N LEU A 45 -1.157 9.065 7.485 1.00 0.00 N ATOM 616 CA LEU A 45 -1.652 10.429 7.636 1.00 0.00 C ATOM 617 C LEU A 45 -2.233 10.941 6.321 1.00 0.00 C ATOM 618 O LEU A 45 -3.150 11.762 6.310 1.00 0.00 O ATOM 619 CB LEU A 45 -0.533 11.364 8.112 1.00 0.00 C ATOM 620 CG LEU A 45 -0.115 11.201 9.578 1.00 0.00 C ATOM 621 CD1 LEU A 45 0.461 9.817 9.833 1.00 0.00 C ATOM 622 CD2 LEU A 45 0.892 12.275 9.961 1.00 0.00 C ATOM 0 H LEU A 45 -0.144 8.991 7.396 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.442 10.417 8.387 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.343 11.204 7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.853 12.394 7.956 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.004 11.314 10.199 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.749 9.730 10.881 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.289 9.062 9.599 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.337 9.666 9.202 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.180 12.148 11.004 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.775 12.189 9.327 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.443 13.259 9.826 1.00 0.00 H new ATOM 634 N LEU A 46 -1.675 10.458 5.213 1.00 0.00 N ATOM 635 CA LEU A 46 -2.109 10.865 3.879 1.00 0.00 C ATOM 636 C LEU A 46 -3.599 10.595 3.662 1.00 0.00 C ATOM 637 O LEU A 46 -4.317 11.444 3.133 1.00 0.00 O ATOM 638 CB LEU A 46 -1.294 10.125 2.816 1.00 0.00 C ATOM 639 CG LEU A 46 -0.790 10.987 1.653 1.00 0.00 C ATOM 640 CD1 LEU A 46 -1.941 11.718 0.980 1.00 0.00 C ATOM 641 CD2 LEU A 46 0.262 11.972 2.138 1.00 0.00 C ATOM 0 H LEU A 46 -0.915 9.778 5.214 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.944 11.939 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.435 9.660 3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.906 9.319 2.410 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.332 10.329 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.557 12.323 0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.656 10.992 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.436 12.364 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.609 12.576 1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.171 12.622 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.103 11.425 2.564 1.00 0.00 H new ATOM 653 N LEU A 47 -4.055 9.408 4.059 1.00 0.00 N ATOM 654 CA LEU A 47 -5.456 9.029 3.892 1.00 0.00 C ATOM 655 C LEU A 47 -6.384 10.056 4.534 1.00 0.00 C ATOM 656 O LEU A 47 -7.370 10.482 3.931 1.00 0.00 O ATOM 657 CB LEU A 47 -5.715 7.655 4.508 1.00 0.00 C ATOM 658 CG LEU A 47 -4.819 6.531 3.986 1.00 0.00 C ATOM 659 CD1 LEU A 47 -5.181 5.210 4.646 1.00 0.00 C ATOM 660 CD2 LEU A 47 -4.926 6.423 2.472 1.00 0.00 C ATOM 0 H LEU A 47 -3.475 8.693 4.498 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.663 8.991 2.822 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.588 7.728 5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.755 7.383 4.327 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.786 6.768 4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.533 4.422 4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.050 5.294 5.725 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.220 4.965 4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.282 5.618 2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.958 6.210 2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.615 7.363 2.017 1.00 0.00 H new ATOM 672 N LYS A 48 -6.062 10.442 5.764 1.00 0.00 N ATOM 673 CA LYS A 48 -6.859 11.409 6.505 1.00 0.00 C ATOM 674 C LYS A 48 -6.958 12.735 5.755 1.00 0.00 C ATOM 675 O LYS A 48 -8.023 13.349 5.700 1.00 0.00 O ATOM 676 CB LYS A 48 -6.247 11.635 7.887 1.00 0.00 C ATOM 677 CG LYS A 48 -7.110 12.488 8.799 1.00 0.00 C ATOM 678 CD LYS A 48 -6.454 12.710 10.154 1.00 0.00 C ATOM 679 CE LYS A 48 -6.293 11.407 10.925 1.00 0.00 C ATOM 680 NZ LYS A 48 -7.602 10.736 11.162 1.00 0.00 N ATOM 0 H LYS A 48 -5.247 10.096 6.271 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.866 11.007 6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.075 10.669 8.362 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.273 12.111 7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.299 13.451 8.325 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.078 12.006 8.938 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.477 13.172 10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.055 13.406 10.739 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.636 10.736 10.371 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.810 11.608 11.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.486 9.993 11.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.295 11.435 11.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.940 10.311 10.275 1.00 0.00 H new ATOM 694 N GLU A 49 -5.840 13.175 5.186 1.00 0.00 N ATOM 695 CA GLU A 49 -5.803 14.433 4.446 1.00 0.00 C ATOM 696 C GLU A 49 -6.700 14.366 3.213 1.00 0.00 C ATOM 697 O GLU A 49 -7.457 15.296 2.934 1.00 0.00 O ATOM 698 CB GLU A 49 -4.360 14.766 4.045 1.00 0.00 C ATOM 699 CG GLU A 49 -4.187 16.153 3.444 1.00 0.00 C ATOM 700 CD GLU A 49 -4.584 16.228 1.980 1.00 0.00 C ATOM 701 OE1 GLU A 49 -4.845 15.167 1.376 1.00 0.00 O ATOM 702 OE2 GLU A 49 -4.615 17.350 1.433 1.00 0.00 O ATOM 0 H GLU A 49 -4.949 12.680 5.223 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.180 15.225 5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.721 14.680 4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.014 14.024 3.325 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.786 16.865 4.012 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.146 16.459 3.547 1.00 0.00 H new ATOM 782 N MET B 1 -17.151 -9.847 -10.762 1.00 0.00 N ATOM 783 CA MET B 1 -16.219 -8.725 -10.470 1.00 0.00 C ATOM 784 C MET B 1 -15.041 -9.194 -9.622 1.00 0.00 C ATOM 785 O MET B 1 -15.218 -9.916 -8.640 1.00 0.00 O ATOM 786 CB MET B 1 -16.993 -7.624 -9.741 1.00 0.00 C ATOM 787 CG MET B 1 -16.154 -6.400 -9.416 1.00 0.00 C ATOM 788 SD MET B 1 -17.102 -5.113 -8.582 1.00 0.00 S ATOM 789 CE MET B 1 -15.849 -3.851 -8.366 1.00 0.00 C ATOM 0 H1 MET B 1 -17.943 -9.499 -11.340 1.00 0.00 H new ATOM 0 H2 MET B 1 -16.645 -10.593 -11.281 1.00 0.00 H new ATOM 0 H3 MET B 1 -17.518 -10.234 -9.869 1.00 0.00 H new ATOM 0 HA MET B 1 -15.816 -8.341 -11.407 1.00 0.00 H new ATOM 0 HB2 MET B 1 -17.840 -7.320 -10.356 1.00 0.00 H new ATOM 0 HB3 MET B 1 -17.400 -8.031 -8.815 1.00 0.00 H new ATOM 0 HG2 MET B 1 -15.316 -6.695 -8.785 1.00 0.00 H new ATOM 0 HG3 MET B 1 -15.733 -5.997 -10.337 1.00 0.00 H new ATOM 0 HE1 MET B 1 -16.329 -2.886 -8.201 1.00 0.00 H new ATOM 0 HE2 MET B 1 -15.227 -4.099 -7.506 1.00 0.00 H new ATOM 0 HE3 MET B 1 -15.227 -3.799 -9.260 1.00 0.00 H new ATOM 801 N GLN B 2 -13.840 -8.783 -10.011 1.00 0.00 N ATOM 802 CA GLN B 2 -12.626 -9.161 -9.295 1.00 0.00 C ATOM 803 C GLN B 2 -11.959 -7.945 -8.661 1.00 0.00 C ATOM 804 O GLN B 2 -12.136 -6.817 -9.123 1.00 0.00 O ATOM 805 CB GLN B 2 -11.641 -9.846 -10.245 1.00 0.00 C ATOM 806 CG GLN B 2 -12.197 -11.090 -10.924 1.00 0.00 C ATOM 807 CD GLN B 2 -12.554 -12.188 -9.941 1.00 0.00 C ATOM 808 OE1 GLN B 2 -13.425 -12.018 -9.091 1.00 0.00 O ATOM 809 NE2 GLN B 2 -11.876 -13.325 -10.054 1.00 0.00 N ATOM 0 H GLN B 2 -13.680 -8.185 -10.822 1.00 0.00 H new ATOM 0 HA GLN B 2 -12.910 -9.854 -8.503 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -11.335 -9.133 -11.011 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -10.745 -10.119 -9.688 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -13.084 -10.820 -11.497 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -11.462 -11.470 -11.634 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -11.161 -13.423 -10.775 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -12.071 -14.100 -9.420 1.00 0.00 H new ATOM 818 N ILE B 3 -11.180 -8.188 -7.608 1.00 0.00 N ATOM 819 CA ILE B 3 -10.466 -7.121 -6.914 1.00 0.00 C ATOM 820 C ILE B 3 -9.080 -7.602 -6.490 1.00 0.00 C ATOM 821 O ILE B 3 -8.943 -8.640 -5.841 1.00 0.00 O ATOM 822 CB ILE B 3 -11.239 -6.621 -5.676 1.00 0.00 C ATOM 823 CG1 ILE B 3 -11.511 -7.776 -4.707 1.00 0.00 C ATOM 824 CG2 ILE B 3 -12.541 -5.957 -6.103 1.00 0.00 C ATOM 825 CD1 ILE B 3 -12.201 -7.351 -3.428 1.00 0.00 C ATOM 0 H ILE B 3 -11.028 -9.118 -7.217 1.00 0.00 H new ATOM 0 HA ILE B 3 -10.371 -6.288 -7.611 1.00 0.00 H new ATOM 0 HB ILE B 3 -10.627 -5.882 -5.158 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -12.126 -8.523 -5.210 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -10.566 -8.258 -4.456 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -13.078 -5.608 -5.221 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -12.321 -5.110 -6.753 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -13.157 -6.677 -6.642 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -12.360 -8.223 -2.793 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -11.578 -6.627 -2.902 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -13.162 -6.896 -3.667 1.00 0.00 H new ATOM 837 N PHE B 4 -8.050 -6.856 -6.880 1.00 0.00 N ATOM 838 CA PHE B 4 -6.675 -7.226 -6.557 1.00 0.00 C ATOM 839 C PHE B 4 -6.157 -6.473 -5.336 1.00 0.00 C ATOM 840 O PHE B 4 -5.657 -5.354 -5.454 1.00 0.00 O ATOM 841 CB PHE B 4 -5.751 -6.956 -7.750 1.00 0.00 C ATOM 842 CG PHE B 4 -6.122 -7.705 -9.000 1.00 0.00 C ATOM 843 CD1 PHE B 4 -7.364 -7.532 -9.590 1.00 0.00 C ATOM 844 CD2 PHE B 4 -5.224 -8.581 -9.586 1.00 0.00 C ATOM 845 CE1 PHE B 4 -7.704 -8.219 -10.738 1.00 0.00 C ATOM 846 CE2 PHE B 4 -5.557 -9.272 -10.736 1.00 0.00 C ATOM 847 CZ PHE B 4 -6.800 -9.091 -11.313 1.00 0.00 C ATOM 0 H PHE B 4 -8.141 -5.994 -7.418 1.00 0.00 H new ATOM 0 HA PHE B 4 -6.676 -8.292 -6.327 1.00 0.00 H new ATOM 0 HB2 PHE B 4 -5.757 -5.887 -7.965 1.00 0.00 H new ATOM 0 HB3 PHE B 4 -4.731 -7.219 -7.472 1.00 0.00 H new ATOM 0 HD1 PHE B 4 -8.075 -6.851 -9.146 1.00 0.00 H new ATOM 0 HD2 PHE B 4 -4.252 -8.726 -9.139 1.00 0.00 H new ATOM 0 HE1 PHE B 4 -8.676 -8.075 -11.186 1.00 0.00 H new ATOM 0 HE2 PHE B 4 -4.847 -9.952 -11.183 1.00 0.00 H new ATOM 0 HZ PHE B 4 -7.064 -9.630 -12.211 1.00 0.00 H new ATOM 857 N VAL B 5 -6.254 -7.099 -4.169 1.00 0.00 N ATOM 858 CA VAL B 5 -5.767 -6.487 -2.940 1.00 0.00 C ATOM 859 C VAL B 5 -4.248 -6.631 -2.860 1.00 0.00 C ATOM 860 O VAL B 5 -3.730 -7.494 -2.152 1.00 0.00 O ATOM 861 CB VAL B 5 -6.410 -7.128 -1.696 1.00 0.00 C ATOM 862 CG1 VAL B 5 -6.016 -6.369 -0.438 1.00 0.00 C ATOM 863 CG2 VAL B 5 -7.924 -7.179 -1.844 1.00 0.00 C ATOM 0 H VAL B 5 -6.663 -8.025 -4.049 1.00 0.00 H new ATOM 0 HA VAL B 5 -6.042 -5.432 -2.959 1.00 0.00 H new ATOM 0 HB VAL B 5 -6.041 -8.150 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -6.480 -6.837 0.430 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -4.932 -6.390 -0.325 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -6.353 -5.335 -0.516 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.361 -7.635 -0.956 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -8.312 -6.167 -1.961 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -8.184 -7.771 -2.721 1.00 0.00 H new ATOM 873 N LYS B 6 -3.545 -5.794 -3.617 1.00 0.00 N ATOM 874 CA LYS B 6 -2.085 -5.834 -3.666 1.00 0.00 C ATOM 875 C LYS B 6 -1.454 -5.149 -2.452 1.00 0.00 C ATOM 876 O LYS B 6 -1.715 -3.978 -2.178 1.00 0.00 O ATOM 877 CB LYS B 6 -1.610 -5.190 -4.976 1.00 0.00 C ATOM 878 CG LYS B 6 -0.100 -5.166 -5.163 1.00 0.00 C ATOM 879 CD LYS B 6 0.514 -3.904 -4.583 1.00 0.00 C ATOM 880 CE LYS B 6 2.008 -3.833 -4.861 1.00 0.00 C ATOM 881 NZ LYS B 6 2.303 -3.877 -6.319 1.00 0.00 N ATOM 0 H LYS B 6 -3.964 -5.076 -4.208 1.00 0.00 H new ATOM 0 HA LYS B 6 -1.762 -6.875 -3.635 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -2.057 -5.728 -5.812 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -1.984 -4.167 -5.018 1.00 0.00 H new ATOM 0 HG2 LYS B 6 0.341 -6.040 -4.683 1.00 0.00 H new ATOM 0 HG3 LYS B 6 0.137 -5.232 -6.225 1.00 0.00 H new ATOM 0 HD2 LYS B 6 0.022 -3.030 -5.009 1.00 0.00 H new ATOM 0 HD3 LYS B 6 0.341 -3.875 -3.507 1.00 0.00 H new ATOM 0 HE2 LYS B 6 2.413 -2.915 -4.436 1.00 0.00 H new ATOM 0 HE3 LYS B 6 2.510 -4.663 -4.364 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 3.268 -3.527 -6.489 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 2.225 -4.857 -6.660 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 1.623 -3.278 -6.829 1.00 0.00 H new ATOM 895 N THR B 7 -0.613 -5.898 -1.736 1.00 0.00 N ATOM 896 CA THR B 7 0.078 -5.385 -0.553 1.00 0.00 C ATOM 897 C THR B 7 1.185 -4.414 -0.953 1.00 0.00 C ATOM 898 O THR B 7 1.744 -4.528 -2.038 1.00 0.00 O ATOM 899 CB THR B 7 0.692 -6.526 0.282 1.00 0.00 C ATOM 900 OG1 THR B 7 1.711 -7.191 -0.473 1.00 0.00 O ATOM 901 CG2 THR B 7 -0.372 -7.534 0.697 1.00 0.00 C ATOM 0 H THR B 7 -0.393 -6.869 -1.958 1.00 0.00 H new ATOM 0 HA THR B 7 -0.666 -4.866 0.051 1.00 0.00 H new ATOM 0 HB THR B 7 1.127 -6.090 1.181 1.00 0.00 H new ATOM 0 HG1 THR B 7 1.298 -7.704 -1.199 1.00 0.00 H new ATOM 0 HG21 THR B 7 0.089 -8.328 1.285 1.00 0.00 H new ATOM 0 HG22 THR B 7 -1.133 -7.034 1.296 1.00 0.00 H new ATOM 0 HG23 THR B 7 -0.834 -7.962 -0.192 1.00 0.00 H new ATOM 909 N LEU B 8 1.490 -3.459 -0.073 1.00 0.00 N ATOM 910 CA LEU B 8 2.525 -2.457 -0.342 1.00 0.00 C ATOM 911 C LEU B 8 3.821 -3.086 -0.860 1.00 0.00 C ATOM 912 O LEU B 8 4.729 -3.387 -0.084 1.00 0.00 O ATOM 913 CB LEU B 8 2.829 -1.643 0.923 1.00 0.00 C ATOM 914 CG LEU B 8 1.670 -0.804 1.465 1.00 0.00 C ATOM 915 CD1 LEU B 8 2.108 -0.040 2.706 1.00 0.00 C ATOM 916 CD2 LEU B 8 1.156 0.158 0.404 1.00 0.00 C ATOM 0 H LEU B 8 1.035 -3.358 0.834 1.00 0.00 H new ATOM 0 HA LEU B 8 2.132 -1.802 -1.119 1.00 0.00 H new ATOM 0 HB2 LEU B 8 3.154 -2.329 1.705 1.00 0.00 H new ATOM 0 HB3 LEU B 8 3.667 -0.979 0.713 1.00 0.00 H new ATOM 0 HG LEU B 8 0.857 -1.477 1.736 1.00 0.00 H new ATOM 0 HD11 LEU B 8 1.274 0.553 3.081 1.00 0.00 H new ATOM 0 HD12 LEU B 8 2.427 -0.745 3.474 1.00 0.00 H new ATOM 0 HD13 LEU B 8 2.938 0.620 2.453 1.00 0.00 H new ATOM 0 HD21 LEU B 8 0.332 0.744 0.812 1.00 0.00 H new ATOM 0 HD22 LEU B 8 1.961 0.827 0.099 1.00 0.00 H new ATOM 0 HD23 LEU B 8 0.806 -0.407 -0.460 1.00 0.00 H new ATOM 928 N THR B 9 3.901 -3.265 -2.179 1.00 0.00 N ATOM 929 CA THR B 9 5.086 -3.839 -2.812 1.00 0.00 C ATOM 930 C THR B 9 5.381 -5.235 -2.274 1.00 0.00 C ATOM 931 O THR B 9 6.360 -5.440 -1.557 1.00 0.00 O ATOM 932 CB THR B 9 6.327 -2.945 -2.602 1.00 0.00 C ATOM 933 OG1 THR B 9 6.046 -1.608 -3.031 1.00 0.00 O ATOM 934 CG2 THR B 9 7.522 -3.481 -3.377 1.00 0.00 C ATOM 0 H THR B 9 3.156 -3.019 -2.831 1.00 0.00 H new ATOM 0 HA THR B 9 4.871 -3.904 -3.879 1.00 0.00 H new ATOM 0 HB THR B 9 6.569 -2.948 -1.539 1.00 0.00 H new ATOM 0 HG1 THR B 9 6.786 -1.279 -3.582 1.00 0.00 H new ATOM 0 HG21 THR B 9 8.383 -2.833 -3.212 1.00 0.00 H new ATOM 0 HG22 THR B 9 7.755 -4.489 -3.034 1.00 0.00 H new ATOM 0 HG23 THR B 9 7.285 -3.505 -4.441 1.00 0.00 H new ATOM 942 N GLY B 10 4.526 -6.196 -2.613 1.00 0.00 N ATOM 943 CA GLY B 10 4.731 -7.545 -2.141 1.00 0.00 C ATOM 944 C GLY B 10 3.780 -8.548 -2.759 1.00 0.00 C ATOM 945 O GLY B 10 3.851 -8.840 -3.952 1.00 0.00 O ATOM 0 H GLY B 10 3.703 -6.062 -3.201 1.00 0.00 H new ATOM 0 HA2 GLY B 10 5.756 -7.846 -2.357 1.00 0.00 H new ATOM 0 HA3 GLY B 10 4.615 -7.565 -1.057 1.00 0.00 H new ATOM 949 N LYS B 11 2.907 -9.088 -1.924 1.00 0.00 N ATOM 950 CA LYS B 11 1.936 -10.091 -2.349 1.00 0.00 C ATOM 951 C LYS B 11 0.627 -9.466 -2.818 1.00 0.00 C ATOM 952 O LYS B 11 0.038 -8.642 -2.121 1.00 0.00 O ATOM 953 CB LYS B 11 1.650 -11.046 -1.188 1.00 0.00 C ATOM 954 CG LYS B 11 0.561 -12.063 -1.483 1.00 0.00 C ATOM 955 CD LYS B 11 0.169 -12.828 -0.230 1.00 0.00 C ATOM 956 CE LYS B 11 -0.915 -13.854 -0.517 1.00 0.00 C ATOM 957 NZ LYS B 11 -0.472 -14.865 -1.516 1.00 0.00 N ATOM 0 H LYS B 11 2.849 -8.846 -0.935 1.00 0.00 H new ATOM 0 HA LYS B 11 2.368 -10.629 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS B 11 2.568 -11.575 -0.931 1.00 0.00 H new ATOM 0 HB3 LYS B 11 1.362 -10.463 -0.313 1.00 0.00 H new ATOM 0 HG2 LYS B 11 -0.313 -11.556 -1.891 1.00 0.00 H new ATOM 0 HG3 LYS B 11 0.908 -12.761 -2.245 1.00 0.00 H new ATOM 0 HD2 LYS B 11 1.046 -13.329 0.180 1.00 0.00 H new ATOM 0 HD3 LYS B 11 -0.183 -12.129 0.529 1.00 0.00 H new ATOM 0 HE2 LYS B 11 -1.193 -14.357 0.409 1.00 0.00 H new ATOM 0 HE3 LYS B 11 -1.807 -13.347 -0.885 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 -1.140 -15.662 -1.523 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 -0.442 -14.430 -2.460 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 0.476 -15.210 -1.264 1.00 0.00 H new ATOM 971 N THR B 12 0.155 -9.892 -3.987 1.00 0.00 N ATOM 972 CA THR B 12 -1.107 -9.399 -4.526 1.00 0.00 C ATOM 973 C THR B 12 -2.215 -10.414 -4.257 1.00 0.00 C ATOM 974 O THR B 12 -2.249 -11.483 -4.866 1.00 0.00 O ATOM 975 CB THR B 12 -1.016 -9.130 -6.039 1.00 0.00 C ATOM 976 OG1 THR B 12 0.058 -8.222 -6.312 1.00 0.00 O ATOM 977 CG2 THR B 12 -2.319 -8.548 -6.565 1.00 0.00 C ATOM 0 H THR B 12 0.628 -10.576 -4.577 1.00 0.00 H new ATOM 0 HA THR B 12 -1.333 -8.456 -4.028 1.00 0.00 H new ATOM 0 HB THR B 12 -0.829 -10.079 -6.542 1.00 0.00 H new ATOM 0 HG1 THR B 12 0.110 -8.058 -7.277 1.00 0.00 H new ATOM 0 HG21 THR B 12 -2.230 -8.366 -7.636 1.00 0.00 H new ATOM 0 HG22 THR B 12 -3.132 -9.251 -6.382 1.00 0.00 H new ATOM 0 HG23 THR B 12 -2.530 -7.609 -6.054 1.00 0.00 H new ATOM 985 N ILE B 13 -3.102 -10.085 -3.324 1.00 0.00 N ATOM 986 CA ILE B 13 -4.193 -10.983 -2.957 1.00 0.00 C ATOM 987 C ILE B 13 -5.444 -10.746 -3.796 1.00 0.00 C ATOM 988 O ILE B 13 -6.236 -9.851 -3.502 1.00 0.00 O ATOM 989 CB ILE B 13 -4.560 -10.821 -1.469 1.00 0.00 C ATOM 990 CG1 ILE B 13 -3.315 -10.993 -0.594 1.00 0.00 C ATOM 991 CG2 ILE B 13 -5.635 -11.826 -1.075 1.00 0.00 C ATOM 992 CD1 ILE B 13 -3.551 -10.684 0.868 1.00 0.00 C ATOM 0 H ILE B 13 -3.088 -9.205 -2.808 1.00 0.00 H new ATOM 0 HA ILE B 13 -3.833 -11.994 -3.146 1.00 0.00 H new ATOM 0 HB ILE B 13 -4.955 -9.817 -1.314 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -2.956 -12.018 -0.686 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -2.525 -10.343 -0.970 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -5.883 -11.699 -0.021 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -6.526 -11.661 -1.680 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -5.265 -12.838 -1.241 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -2.625 -10.828 1.424 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -3.880 -9.650 0.973 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -4.318 -11.351 1.262 1.00 0.00 H new ATOM 1004 N THR B 14 -5.635 -11.569 -4.823 1.00 0.00 N ATOM 1005 CA THR B 14 -6.815 -11.453 -5.669 1.00 0.00 C ATOM 1006 C THR B 14 -8.016 -12.092 -4.984 1.00 0.00 C ATOM 1007 O THR B 14 -7.881 -13.116 -4.315 1.00 0.00 O ATOM 1008 CB THR B 14 -6.619 -12.110 -7.044 1.00 0.00 C ATOM 1009 OG1 THR B 14 -5.532 -11.488 -7.740 1.00 0.00 O ATOM 1010 CG2 THR B 14 -7.895 -11.987 -7.860 1.00 0.00 C ATOM 0 H THR B 14 -4.993 -12.317 -5.087 1.00 0.00 H new ATOM 0 HA THR B 14 -6.986 -10.388 -5.825 1.00 0.00 H new ATOM 0 HB THR B 14 -6.386 -13.165 -6.901 1.00 0.00 H new ATOM 0 HG1 THR B 14 -5.849 -10.672 -8.180 1.00 0.00 H new ATOM 0 HG21 THR B 14 -7.750 -12.454 -8.834 1.00 0.00 H new ATOM 0 HG22 THR B 14 -8.711 -12.485 -7.336 1.00 0.00 H new ATOM 0 HG23 THR B 14 -8.140 -10.934 -7.996 1.00 0.00 H new ATOM 1018 N LEU B 15 -9.185 -11.480 -5.139 1.00 0.00 N ATOM 1019 CA LEU B 15 -10.397 -11.994 -4.510 1.00 0.00 C ATOM 1020 C LEU B 15 -11.637 -11.662 -5.334 1.00 0.00 C ATOM 1021 O LEU B 15 -11.753 -10.570 -5.895 1.00 0.00 O ATOM 1022 CB LEU B 15 -10.535 -11.400 -3.110 1.00 0.00 C ATOM 1023 CG LEU B 15 -9.309 -11.577 -2.214 1.00 0.00 C ATOM 1024 CD1 LEU B 15 -9.293 -10.524 -1.127 1.00 0.00 C ATOM 1025 CD2 LEU B 15 -9.281 -12.972 -1.609 1.00 0.00 C ATOM 0 H LEU B 15 -9.319 -10.633 -5.691 1.00 0.00 H new ATOM 0 HA LEU B 15 -10.315 -13.079 -4.448 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -10.749 -10.335 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -11.395 -11.857 -2.620 1.00 0.00 H new ATOM 0 HG LEU B 15 -8.416 -11.455 -2.826 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -8.414 -10.664 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -9.261 -9.533 -1.581 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -10.193 -10.615 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -8.400 -13.076 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -10.179 -13.127 -1.011 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -9.244 -13.714 -2.407 1.00 0.00 H new ATOM 1037 N GLU B 16 -12.563 -12.614 -5.397 1.00 0.00 N ATOM 1038 CA GLU B 16 -13.804 -12.434 -6.143 1.00 0.00 C ATOM 1039 C GLU B 16 -14.894 -11.840 -5.256 1.00 0.00 C ATOM 1040 O GLU B 16 -15.104 -12.293 -4.130 1.00 0.00 O ATOM 1041 CB GLU B 16 -14.279 -13.769 -6.721 1.00 0.00 C ATOM 1042 CG GLU B 16 -15.577 -13.662 -7.506 1.00 0.00 C ATOM 1043 CD GLU B 16 -16.032 -14.995 -8.068 1.00 0.00 C ATOM 1044 OE1 GLU B 16 -15.280 -15.590 -8.869 1.00 0.00 O ATOM 1045 OE2 GLU B 16 -17.140 -15.444 -7.707 1.00 0.00 O ATOM 0 H GLU B 16 -12.477 -13.521 -4.939 1.00 0.00 H new ATOM 0 HA GLU B 16 -13.605 -11.741 -6.960 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.502 -14.171 -7.371 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -14.414 -14.481 -5.907 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -16.356 -13.260 -6.859 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -15.445 -12.953 -8.324 1.00 0.00 H new ATOM 1052 N VAL B 17 -15.588 -10.831 -5.775 1.00 0.00 N ATOM 1053 CA VAL B 17 -16.666 -10.172 -5.042 1.00 0.00 C ATOM 1054 C VAL B 17 -17.692 -9.574 -5.999 1.00 0.00 C ATOM 1055 O VAL B 17 -17.334 -8.925 -6.980 1.00 0.00 O ATOM 1056 CB VAL B 17 -16.137 -9.050 -4.122 1.00 0.00 C ATOM 1057 CG1 VAL B 17 -15.325 -9.625 -2.972 1.00 0.00 C ATOM 1058 CG2 VAL B 17 -15.310 -8.054 -4.917 1.00 0.00 C ATOM 0 H VAL B 17 -15.422 -10.450 -6.706 1.00 0.00 H new ATOM 0 HA VAL B 17 -17.135 -10.940 -4.428 1.00 0.00 H new ATOM 0 HB VAL B 17 -16.995 -8.527 -3.699 1.00 0.00 H new ATOM 0 HG11 VAL B 17 -14.964 -8.814 -2.340 1.00 0.00 H new ATOM 0 HG12 VAL B 17 -15.952 -10.293 -2.382 1.00 0.00 H new ATOM 0 HG13 VAL B 17 -14.475 -10.181 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL B 17 -14.946 -7.271 -4.252 1.00 0.00 H new ATOM 0 HG22 VAL B 17 -14.463 -8.566 -5.373 1.00 0.00 H new ATOM 0 HG23 VAL B 17 -15.927 -7.609 -5.697 1.00 0.00 H new ATOM 1068 N GLU B 18 -18.968 -9.796 -5.704 1.00 0.00 N ATOM 1069 CA GLU B 18 -20.050 -9.277 -6.534 1.00 0.00 C ATOM 1070 C GLU B 18 -20.098 -7.754 -6.473 1.00 0.00 C ATOM 1071 O GLU B 18 -19.792 -7.155 -5.442 1.00 0.00 O ATOM 1072 CB GLU B 18 -21.393 -9.853 -6.083 1.00 0.00 C ATOM 1073 CG GLU B 18 -22.571 -9.382 -6.921 1.00 0.00 C ATOM 1074 CD GLU B 18 -23.893 -9.953 -6.445 1.00 0.00 C ATOM 1075 OE1 GLU B 18 -24.265 -9.695 -5.281 1.00 0.00 O ATOM 1076 OE2 GLU B 18 -24.553 -10.658 -7.236 1.00 0.00 O ATOM 0 H GLU B 18 -19.279 -10.333 -4.895 1.00 0.00 H new ATOM 0 HA GLU B 18 -19.859 -9.580 -7.563 1.00 0.00 H new ATOM 0 HB2 GLU B 18 -21.343 -10.941 -6.121 1.00 0.00 H new ATOM 0 HB3 GLU B 18 -21.565 -9.578 -5.042 1.00 0.00 H new ATOM 0 HG2 GLU B 18 -22.619 -8.293 -6.893 1.00 0.00 H new ATOM 0 HG3 GLU B 18 -22.410 -9.668 -7.960 1.00 0.00 H new ATOM 1083 N SER B 19 -20.484 -7.132 -7.584 1.00 0.00 N ATOM 1084 CA SER B 19 -20.575 -5.679 -7.656 1.00 0.00 C ATOM 1085 C SER B 19 -21.843 -5.170 -6.968 1.00 0.00 C ATOM 1086 O SER B 19 -22.519 -4.275 -7.476 1.00 0.00 O ATOM 1087 CB SER B 19 -20.550 -5.217 -9.115 1.00 0.00 C ATOM 1088 OG SER B 19 -21.632 -5.769 -9.845 1.00 0.00 O ATOM 0 H SER B 19 -20.739 -7.613 -8.447 1.00 0.00 H new ATOM 0 HA SER B 19 -19.713 -5.263 -7.134 1.00 0.00 H new ATOM 0 HB2 SER B 19 -20.598 -4.129 -9.156 1.00 0.00 H new ATOM 0 HB3 SER B 19 -19.608 -5.512 -9.577 1.00 0.00 H new ATOM 0 HG SER B 19 -21.594 -5.457 -10.773 1.00 0.00 H new ATOM 1094 N SER B 20 -22.157 -5.743 -5.809 1.00 0.00 N ATOM 1095 CA SER B 20 -23.339 -5.342 -5.051 1.00 0.00 C ATOM 1096 C SER B 20 -23.290 -5.907 -3.634 1.00 0.00 C ATOM 1097 O SER B 20 -24.309 -6.323 -3.081 1.00 0.00 O ATOM 1098 CB SER B 20 -24.611 -5.815 -5.762 1.00 0.00 C ATOM 1099 OG SER B 20 -25.772 -5.407 -5.059 1.00 0.00 O ATOM 0 H SER B 20 -21.610 -6.486 -5.374 1.00 0.00 H new ATOM 0 HA SER B 20 -23.352 -4.254 -4.989 1.00 0.00 H new ATOM 0 HB2 SER B 20 -24.636 -5.413 -6.775 1.00 0.00 H new ATOM 0 HB3 SER B 20 -24.599 -6.901 -5.850 1.00 0.00 H new ATOM 0 HG SER B 20 -25.698 -5.678 -4.120 1.00 0.00 H new ATOM 1105 N ASP B 21 -22.095 -5.911 -3.051 1.00 0.00 N ATOM 1106 CA ASP B 21 -21.902 -6.416 -1.696 1.00 0.00 C ATOM 1107 C ASP B 21 -21.637 -5.265 -0.723 1.00 0.00 C ATOM 1108 O ASP B 21 -22.464 -4.365 -0.578 1.00 0.00 O ATOM 1109 CB ASP B 21 -20.749 -7.423 -1.663 1.00 0.00 C ATOM 1110 CG ASP B 21 -21.019 -8.646 -2.515 1.00 0.00 C ATOM 1111 OD1 ASP B 21 -22.040 -9.325 -2.273 1.00 0.00 O ATOM 1112 OD2 ASP B 21 -20.208 -8.930 -3.419 1.00 0.00 O ATOM 0 H ASP B 21 -21.244 -5.569 -3.497 1.00 0.00 H new ATOM 0 HA ASP B 21 -22.815 -6.923 -1.384 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -19.837 -6.937 -2.010 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -20.572 -7.734 -0.633 1.00 0.00 H new ATOM 1117 N THR B 22 -20.482 -5.299 -0.059 1.00 0.00 N ATOM 1118 CA THR B 22 -20.112 -4.261 0.895 1.00 0.00 C ATOM 1119 C THR B 22 -18.634 -4.362 1.253 1.00 0.00 C ATOM 1120 O THR B 22 -18.082 -5.459 1.342 1.00 0.00 O ATOM 1121 CB THR B 22 -20.955 -4.347 2.184 1.00 0.00 C ATOM 1122 OG1 THR B 22 -20.548 -3.326 3.104 1.00 0.00 O ATOM 1123 CG2 THR B 22 -20.810 -5.713 2.841 1.00 0.00 C ATOM 0 H THR B 22 -19.787 -6.037 -0.167 1.00 0.00 H new ATOM 0 HA THR B 22 -20.307 -3.301 0.416 1.00 0.00 H new ATOM 0 HB THR B 22 -22.001 -4.201 1.915 1.00 0.00 H new ATOM 0 HG1 THR B 22 -20.634 -2.448 2.677 1.00 0.00 H new ATOM 0 HG21 THR B 22 -21.414 -5.747 3.747 1.00 0.00 H new ATOM 0 HG22 THR B 22 -21.147 -6.486 2.151 1.00 0.00 H new ATOM 0 HG23 THR B 22 -19.764 -5.885 3.096 1.00 0.00 H new ATOM 1131 N ILE B 23 -17.997 -3.211 1.445 1.00 0.00 N ATOM 1132 CA ILE B 23 -16.576 -3.168 1.782 1.00 0.00 C ATOM 1133 C ILE B 23 -16.272 -4.062 2.981 1.00 0.00 C ATOM 1134 O ILE B 23 -15.280 -4.797 2.989 1.00 0.00 O ATOM 1135 CB ILE B 23 -16.109 -1.731 2.097 1.00 0.00 C ATOM 1136 CG1 ILE B 23 -16.454 -0.777 0.944 1.00 0.00 C ATOM 1137 CG2 ILE B 23 -14.613 -1.713 2.375 1.00 0.00 C ATOM 1138 CD1 ILE B 23 -15.832 -1.160 -0.385 1.00 0.00 C ATOM 0 H ILE B 23 -18.441 -2.296 1.373 1.00 0.00 H new ATOM 0 HA ILE B 23 -16.034 -3.531 0.909 1.00 0.00 H new ATOM 0 HB ILE B 23 -16.635 -1.387 2.988 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -17.537 -0.741 0.829 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -16.128 0.229 1.209 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -14.296 -0.694 2.596 1.00 0.00 H new ATOM 0 HG22 ILE B 23 -14.394 -2.354 3.229 1.00 0.00 H new ATOM 0 HG23 ILE B 23 -14.076 -2.078 1.500 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -16.125 -0.436 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -14.746 -1.168 -0.290 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -16.178 -2.152 -0.676 1.00 0.00 H new ATOM 1150 N ASP B 24 -17.136 -3.997 3.993 1.00 0.00 N ATOM 1151 CA ASP B 24 -16.968 -4.803 5.197 1.00 0.00 C ATOM 1152 C ASP B 24 -16.830 -6.279 4.840 1.00 0.00 C ATOM 1153 O ASP B 24 -16.018 -6.995 5.426 1.00 0.00 O ATOM 1154 CB ASP B 24 -18.159 -4.599 6.139 1.00 0.00 C ATOM 1155 CG ASP B 24 -18.016 -5.371 7.438 1.00 0.00 C ATOM 1156 OD1 ASP B 24 -17.967 -6.619 7.387 1.00 0.00 O ATOM 1157 OD2 ASP B 24 -17.952 -4.728 8.506 1.00 0.00 O ATOM 0 H ASP B 24 -17.959 -3.394 4.001 1.00 0.00 H new ATOM 0 HA ASP B 24 -16.057 -4.482 5.702 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -18.263 -3.537 6.362 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -19.074 -4.910 5.635 1.00 0.00 H new ATOM 1162 N ASN B 25 -17.626 -6.726 3.873 1.00 0.00 N ATOM 1163 CA ASN B 25 -17.591 -8.117 3.432 1.00 0.00 C ATOM 1164 C ASN B 25 -16.208 -8.479 2.899 1.00 0.00 C ATOM 1165 O ASN B 25 -15.691 -9.561 3.173 1.00 0.00 O ATOM 1166 CB ASN B 25 -18.651 -8.358 2.354 1.00 0.00 C ATOM 1167 CG ASN B 25 -18.708 -9.805 1.904 1.00 0.00 C ATOM 1168 OD1 ASN B 25 -17.737 -10.341 1.369 1.00 0.00 O ATOM 1169 ND2 ASN B 25 -19.850 -10.447 2.118 1.00 0.00 N ATOM 0 H ASN B 25 -18.304 -6.145 3.379 1.00 0.00 H new ATOM 0 HA ASN B 25 -17.808 -8.754 4.289 1.00 0.00 H new ATOM 0 HB2 ASN B 25 -19.627 -8.062 2.738 1.00 0.00 H new ATOM 0 HB3 ASN B 25 -18.440 -7.722 1.494 1.00 0.00 H new ATOM 0 HD21 ASN B 25 -19.947 -11.422 1.836 1.00 0.00 H new ATOM 0 HD22 ASN B 25 -20.630 -9.965 2.565 1.00 0.00 H new ATOM 1176 N VAL B 26 -15.612 -7.568 2.138 1.00 0.00 N ATOM 1177 CA VAL B 26 -14.288 -7.796 1.573 1.00 0.00 C ATOM 1178 C VAL B 26 -13.250 -7.978 2.677 1.00 0.00 C ATOM 1179 O VAL B 26 -12.463 -8.925 2.654 1.00 0.00 O ATOM 1180 CB VAL B 26 -13.856 -6.627 0.665 1.00 0.00 C ATOM 1181 CG1 VAL B 26 -12.478 -6.883 0.075 1.00 0.00 C ATOM 1182 CG2 VAL B 26 -14.882 -6.401 -0.435 1.00 0.00 C ATOM 0 H VAL B 26 -16.024 -6.666 1.899 1.00 0.00 H new ATOM 0 HA VAL B 26 -14.347 -8.706 0.976 1.00 0.00 H new ATOM 0 HB VAL B 26 -13.800 -5.723 1.272 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -12.194 -6.046 -0.562 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -11.751 -6.989 0.880 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -12.500 -7.798 -0.517 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -14.562 -5.572 -1.067 1.00 0.00 H new ATOM 0 HG22 VAL B 26 -14.973 -7.304 -1.039 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -15.848 -6.165 0.011 1.00 0.00 H new ATOM 1192 N LYS B 27 -13.259 -7.064 3.642 1.00 0.00 N ATOM 1193 CA LYS B 27 -12.321 -7.123 4.757 1.00 0.00 C ATOM 1194 C LYS B 27 -12.495 -8.408 5.560 1.00 0.00 C ATOM 1195 O LYS B 27 -11.513 -9.042 5.947 1.00 0.00 O ATOM 1196 CB LYS B 27 -12.487 -5.903 5.664 1.00 0.00 C ATOM 1197 CG LYS B 27 -12.113 -4.597 4.986 1.00 0.00 C ATOM 1198 CD LYS B 27 -12.166 -3.429 5.955 1.00 0.00 C ATOM 1199 CE LYS B 27 -11.725 -2.135 5.291 1.00 0.00 C ATOM 1200 NZ LYS B 27 -11.765 -0.984 6.235 1.00 0.00 N ATOM 0 H LYS B 27 -13.904 -6.275 3.674 1.00 0.00 H new ATOM 0 HA LYS B 27 -11.312 -7.118 4.344 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.522 -5.847 6.000 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -11.870 -6.033 6.553 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -11.110 -4.678 4.567 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -12.792 -4.411 4.154 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -13.181 -3.316 6.336 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -11.525 -3.636 6.812 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -10.713 -2.252 4.904 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -12.370 -1.927 4.437 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -12.432 -0.268 5.882 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -12.075 -1.314 7.171 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -10.816 -0.565 6.312 1.00 0.00 H new ATOM 1214 N SER B 28 -13.745 -8.793 5.805 1.00 0.00 N ATOM 1215 CA SER B 28 -14.030 -10.010 6.559 1.00 0.00 C ATOM 1216 C SER B 28 -13.424 -11.219 5.855 1.00 0.00 C ATOM 1217 O SER B 28 -12.820 -12.082 6.494 1.00 0.00 O ATOM 1218 CB SER B 28 -15.539 -10.202 6.731 1.00 0.00 C ATOM 1219 OG SER B 28 -16.182 -10.371 5.482 1.00 0.00 O ATOM 0 H SER B 28 -14.572 -8.283 5.494 1.00 0.00 H new ATOM 0 HA SER B 28 -13.581 -9.913 7.548 1.00 0.00 H new ATOM 0 HB2 SER B 28 -15.728 -11.072 7.360 1.00 0.00 H new ATOM 0 HB3 SER B 28 -15.961 -9.339 7.246 1.00 0.00 H new ATOM 0 HG SER B 28 -15.709 -9.852 4.798 1.00 0.00 H new ATOM 1225 N LYS B 29 -13.576 -11.265 4.534 1.00 0.00 N ATOM 1226 CA LYS B 29 -13.027 -12.358 3.741 1.00 0.00 C ATOM 1227 C LYS B 29 -11.514 -12.416 3.904 1.00 0.00 C ATOM 1228 O LYS B 29 -10.936 -13.491 4.068 1.00 0.00 O ATOM 1229 CB LYS B 29 -13.386 -12.183 2.263 1.00 0.00 C ATOM 1230 CG LYS B 29 -14.878 -12.254 1.983 1.00 0.00 C ATOM 1231 CD LYS B 29 -15.184 -12.027 0.510 1.00 0.00 C ATOM 1232 CE LYS B 29 -14.551 -13.099 -0.367 1.00 0.00 C ATOM 1233 NZ LYS B 29 -15.042 -14.461 -0.019 1.00 0.00 N ATOM 0 H LYS B 29 -14.074 -10.559 3.992 1.00 0.00 H new ATOM 0 HA LYS B 29 -13.460 -13.293 4.097 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -13.006 -11.222 1.918 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -12.879 -12.953 1.682 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -15.260 -13.228 2.288 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -15.397 -11.506 2.582 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -16.263 -12.023 0.359 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -14.816 -11.046 0.209 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -14.772 -12.890 -1.414 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -13.467 -13.065 -0.257 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -14.752 -15.134 -0.757 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -14.638 -14.753 0.894 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -16.080 -14.449 0.050 1.00 0.00 H new ATOM 1247 N ILE B 30 -10.881 -11.247 3.866 1.00 0.00 N ATOM 1248 CA ILE B 30 -9.436 -11.153 4.018 1.00 0.00 C ATOM 1249 C ILE B 30 -8.996 -11.663 5.388 1.00 0.00 C ATOM 1250 O ILE B 30 -7.970 -12.329 5.513 1.00 0.00 O ATOM 1251 CB ILE B 30 -8.942 -9.703 3.830 1.00 0.00 C ATOM 1252 CG1 ILE B 30 -9.263 -9.215 2.414 1.00 0.00 C ATOM 1253 CG2 ILE B 30 -7.447 -9.608 4.111 1.00 0.00 C ATOM 1254 CD1 ILE B 30 -8.832 -7.788 2.144 1.00 0.00 C ATOM 0 H ILE B 30 -11.349 -10.351 3.731 1.00 0.00 H new ATOM 0 HA ILE B 30 -8.992 -11.778 3.243 1.00 0.00 H new ATOM 0 HB ILE B 30 -9.461 -9.060 4.541 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -8.776 -9.873 1.694 1.00 0.00 H new ATOM 0 HG13 ILE B 30 -10.337 -9.298 2.246 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -7.116 -8.579 3.974 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -7.249 -9.919 5.137 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -6.906 -10.258 3.424 1.00 0.00 H new ATOM 0 HD11 ILE B 30 -9.094 -7.516 1.121 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -9.338 -7.117 2.838 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -7.754 -7.702 2.278 1.00 0.00 H new ATOM 1266 N GLN B 31 -9.779 -11.342 6.413 1.00 0.00 N ATOM 1267 CA GLN B 31 -9.467 -11.765 7.774 1.00 0.00 C ATOM 1268 C GLN B 31 -9.468 -13.286 7.894 1.00 0.00 C ATOM 1269 O GLN B 31 -8.538 -13.874 8.439 1.00 0.00 O ATOM 1270 CB GLN B 31 -10.476 -11.171 8.758 1.00 0.00 C ATOM 1271 CG GLN B 31 -10.250 -11.615 10.194 1.00 0.00 C ATOM 1272 CD GLN B 31 -11.245 -11.004 11.159 1.00 0.00 C ATOM 1273 OE1 GLN B 31 -10.741 -10.271 12.145 1.00 0.00 O flip ATOM 1274 NE2 GLN B 31 -12.455 -11.190 11.022 1.00 0.00 N flip ATOM 0 H GLN B 31 -10.633 -10.791 6.327 1.00 0.00 H new ATOM 0 HA GLN B 31 -8.468 -11.401 8.015 1.00 0.00 H new ATOM 0 HB2 GLN B 31 -10.423 -10.083 8.709 1.00 0.00 H new ATOM 0 HB3 GLN B 31 -11.483 -11.456 8.451 1.00 0.00 H new ATOM 0 HG2 GLN B 31 -10.317 -12.702 10.249 1.00 0.00 H new ATOM 0 HG3 GLN B 31 -9.240 -11.343 10.499 1.00 0.00 H new ATOM 0 HE21 GLN B 31 -12.799 -11.760 10.250 1.00 0.00 H new ATOM 0 HE22 GLN B 31 -13.113 -10.774 11.681 1.00 0.00 H new ATOM 1283 N ASP B 32 -10.522 -13.915 7.395 1.00 0.00 N ATOM 1284 CA ASP B 32 -10.650 -15.367 7.458 1.00 0.00 C ATOM 1285 C ASP B 32 -9.569 -16.068 6.636 1.00 0.00 C ATOM 1286 O ASP B 32 -8.964 -17.039 7.091 1.00 0.00 O ATOM 1287 CB ASP B 32 -12.036 -15.794 6.970 1.00 0.00 C ATOM 1288 CG ASP B 32 -12.227 -17.297 7.009 1.00 0.00 C ATOM 1289 OD1 ASP B 32 -12.124 -17.880 8.109 1.00 0.00 O ATOM 1290 OD2 ASP B 32 -12.481 -17.891 5.940 1.00 0.00 O ATOM 0 H ASP B 32 -11.304 -13.443 6.941 1.00 0.00 H new ATOM 0 HA ASP B 32 -10.522 -15.665 8.499 1.00 0.00 H new ATOM 0 HB2 ASP B 32 -12.798 -15.318 7.587 1.00 0.00 H new ATOM 0 HB3 ASP B 32 -12.184 -15.438 5.950 1.00 0.00 H new ATOM 1295 N LYS B 33 -9.346 -15.586 5.417 1.00 0.00 N ATOM 1296 CA LYS B 33 -8.356 -16.183 4.525 1.00 0.00 C ATOM 1297 C LYS B 33 -6.923 -15.867 4.960 1.00 0.00 C ATOM 1298 O LYS B 33 -6.150 -16.770 5.281 1.00 0.00 O ATOM 1299 CB LYS B 33 -8.588 -15.695 3.093 1.00 0.00 C ATOM 1300 CG LYS B 33 -7.641 -16.307 2.073 1.00 0.00 C ATOM 1301 CD LYS B 33 -7.958 -15.832 0.665 1.00 0.00 C ATOM 1302 CE LYS B 33 -6.995 -16.419 -0.352 1.00 0.00 C ATOM 1303 NZ LYS B 33 -5.591 -15.998 -0.096 1.00 0.00 N ATOM 0 H LYS B 33 -9.837 -14.783 5.024 1.00 0.00 H new ATOM 0 HA LYS B 33 -8.480 -17.265 4.572 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -9.614 -15.922 2.804 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -8.482 -14.610 3.067 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -6.614 -16.043 2.325 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -7.711 -17.394 2.116 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -8.978 -16.114 0.406 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -7.909 -14.744 0.628 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -7.058 -17.507 -0.326 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -7.290 -16.107 -1.354 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -5.080 -15.926 -0.999 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -5.587 -15.073 0.379 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -5.123 -16.701 0.511 1.00 0.00 H new ATOM 1317 N GLU B 34 -6.569 -14.585 4.951 1.00 0.00 N ATOM 1318 CA GLU B 34 -5.223 -14.153 5.328 1.00 0.00 C ATOM 1319 C GLU B 34 -4.966 -14.296 6.826 1.00 0.00 C ATOM 1320 O GLU B 34 -3.887 -14.723 7.236 1.00 0.00 O ATOM 1321 CB GLU B 34 -4.988 -12.702 4.903 1.00 0.00 C ATOM 1322 CG GLU B 34 -4.791 -12.526 3.406 1.00 0.00 C ATOM 1323 CD GLU B 34 -5.962 -13.034 2.591 1.00 0.00 C ATOM 1324 OE1 GLU B 34 -7.090 -12.540 2.798 1.00 0.00 O ATOM 1325 OE2 GLU B 34 -5.751 -13.923 1.740 1.00 0.00 O ATOM 0 H GLU B 34 -7.195 -13.825 4.687 1.00 0.00 H new ATOM 0 HA GLU B 34 -4.524 -14.807 4.807 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -5.837 -12.098 5.222 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -4.110 -12.318 5.423 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -4.634 -11.470 3.187 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -3.887 -13.052 3.100 1.00 0.00 H new ATOM 1332 N GLY B 35 -5.948 -13.927 7.640 1.00 0.00 N ATOM 1333 CA GLY B 35 -5.782 -14.014 9.081 1.00 0.00 C ATOM 1334 C GLY B 35 -5.164 -12.757 9.663 1.00 0.00 C ATOM 1335 O GLY B 35 -4.204 -12.826 10.431 1.00 0.00 O ATOM 0 H GLY B 35 -6.852 -13.571 7.331 1.00 0.00 H new ATOM 0 HA2 GLY B 35 -6.752 -14.189 9.547 1.00 0.00 H new ATOM 0 HA3 GLY B 35 -5.153 -14.871 9.322 1.00 0.00 H new ATOM 1339 N ILE B 36 -5.720 -11.607 9.292 1.00 0.00 N ATOM 1340 CA ILE B 36 -5.227 -10.321 9.774 1.00 0.00 C ATOM 1341 C ILE B 36 -6.387 -9.434 10.228 1.00 0.00 C ATOM 1342 O ILE B 36 -7.401 -9.328 9.538 1.00 0.00 O ATOM 1343 CB ILE B 36 -4.428 -9.584 8.678 1.00 0.00 C ATOM 1344 CG1 ILE B 36 -3.227 -10.426 8.238 1.00 0.00 C ATOM 1345 CG2 ILE B 36 -3.973 -8.218 9.173 1.00 0.00 C ATOM 1346 CD1 ILE B 36 -2.436 -9.811 7.102 1.00 0.00 C ATOM 0 H ILE B 36 -6.515 -11.540 8.657 1.00 0.00 H new ATOM 0 HA ILE B 36 -4.569 -10.521 10.619 1.00 0.00 H new ATOM 0 HB ILE B 36 -5.079 -9.434 7.817 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -2.565 -10.573 9.092 1.00 0.00 H new ATOM 0 HG13 ILE B 36 -3.578 -11.412 7.933 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -3.412 -7.714 8.386 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -4.844 -7.618 9.438 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -3.337 -8.342 10.050 1.00 0.00 H new ATOM 0 HD11 ILE B 36 -1.601 -10.463 6.845 1.00 0.00 H new ATOM 0 HD12 ILE B 36 -3.082 -9.689 6.233 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -2.054 -8.838 7.410 1.00 0.00 H new ATOM 1358 N PRO B 37 -6.257 -8.786 11.402 1.00 0.00 N ATOM 1359 CA PRO B 37 -7.305 -7.912 11.944 1.00 0.00 C ATOM 1360 C PRO B 37 -7.725 -6.819 10.962 1.00 0.00 C ATOM 1361 O PRO B 37 -6.882 -6.216 10.298 1.00 0.00 O ATOM 1362 CB PRO B 37 -6.654 -7.293 13.183 1.00 0.00 C ATOM 1363 CG PRO B 37 -5.592 -8.259 13.577 1.00 0.00 C ATOM 1364 CD PRO B 37 -5.086 -8.860 12.297 1.00 0.00 C ATOM 0 HA PRO B 37 -8.219 -8.466 12.158 1.00 0.00 H new ATOM 0 HB2 PRO B 37 -6.234 -6.312 12.961 1.00 0.00 H new ATOM 0 HB3 PRO B 37 -7.380 -7.155 13.984 1.00 0.00 H new ATOM 0 HG2 PRO B 37 -4.789 -7.758 14.117 1.00 0.00 H new ATOM 0 HG3 PRO B 37 -5.990 -9.028 14.239 1.00 0.00 H new ATOM 0 HD2 PRO B 37 -4.239 -8.302 11.898 1.00 0.00 H new ATOM 0 HD3 PRO B 37 -4.753 -9.888 12.439 1.00 0.00 H new ATOM 1372 N PRO B 38 -9.041 -6.552 10.857 1.00 0.00 N ATOM 1373 CA PRO B 38 -9.577 -5.527 9.949 1.00 0.00 C ATOM 1374 C PRO B 38 -9.032 -4.134 10.246 1.00 0.00 C ATOM 1375 O PRO B 38 -8.739 -3.367 9.329 1.00 0.00 O ATOM 1376 CB PRO B 38 -11.090 -5.569 10.199 1.00 0.00 C ATOM 1377 CG PRO B 38 -11.251 -6.253 11.514 1.00 0.00 C ATOM 1378 CD PRO B 38 -10.112 -7.224 11.611 1.00 0.00 C ATOM 0 HA PRO B 38 -9.297 -5.727 8.915 1.00 0.00 H new ATOM 0 HB2 PRO B 38 -11.513 -4.565 10.223 1.00 0.00 H new ATOM 0 HB3 PRO B 38 -11.605 -6.113 9.407 1.00 0.00 H new ATOM 0 HG2 PRO B 38 -11.224 -5.535 12.334 1.00 0.00 H new ATOM 0 HG3 PRO B 38 -12.210 -6.768 11.572 1.00 0.00 H new ATOM 0 HD2 PRO B 38 -9.824 -7.406 12.646 1.00 0.00 H new ATOM 0 HD3 PRO B 38 -10.367 -8.190 11.176 1.00 0.00 H new ATOM 1386 N ASP B 39 -8.908 -3.807 11.529 1.00 0.00 N ATOM 1387 CA ASP B 39 -8.408 -2.499 11.941 1.00 0.00 C ATOM 1388 C ASP B 39 -6.986 -2.264 11.435 1.00 0.00 C ATOM 1389 O ASP B 39 -6.679 -1.202 10.895 1.00 0.00 O ATOM 1390 CB ASP B 39 -8.445 -2.373 13.465 1.00 0.00 C ATOM 1391 CG ASP B 39 -7.940 -1.027 13.946 1.00 0.00 C ATOM 1392 OD1 ASP B 39 -8.524 0.004 13.550 1.00 0.00 O ATOM 1393 OD2 ASP B 39 -6.960 -1.003 14.720 1.00 0.00 O ATOM 0 H ASP B 39 -9.147 -4.429 12.301 1.00 0.00 H new ATOM 0 HA ASP B 39 -9.056 -1.741 11.501 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -9.467 -2.521 13.814 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -7.840 -3.164 13.907 1.00 0.00 H new ATOM 1398 N GLN B 40 -6.123 -3.260 11.617 1.00 0.00 N ATOM 1399 CA GLN B 40 -4.734 -3.157 11.180 1.00 0.00 C ATOM 1400 C GLN B 40 -4.638 -3.038 9.661 1.00 0.00 C ATOM 1401 O GLN B 40 -3.971 -2.142 9.141 1.00 0.00 O ATOM 1402 CB GLN B 40 -3.930 -4.367 11.663 1.00 0.00 C ATOM 1403 CG GLN B 40 -3.542 -4.313 13.135 1.00 0.00 C ATOM 1404 CD GLN B 40 -4.736 -4.281 14.072 1.00 0.00 C ATOM 1405 OE1 GLN B 40 -5.501 -3.318 14.094 1.00 0.00 O ATOM 1406 NE2 GLN B 40 -4.898 -5.341 14.855 1.00 0.00 N ATOM 0 H GLN B 40 -6.361 -4.146 12.063 1.00 0.00 H new ATOM 0 HA GLN B 40 -4.314 -2.252 11.619 1.00 0.00 H new ATOM 0 HB2 GLN B 40 -4.513 -5.271 11.486 1.00 0.00 H new ATOM 0 HB3 GLN B 40 -3.024 -4.450 11.063 1.00 0.00 H new ATOM 0 HG2 GLN B 40 -2.926 -5.180 13.373 1.00 0.00 H new ATOM 0 HG3 GLN B 40 -2.929 -3.429 13.309 1.00 0.00 H new ATOM 0 HE21 GLN B 40 -4.239 -6.118 14.804 1.00 0.00 H new ATOM 0 HE22 GLN B 40 -5.681 -5.378 15.507 1.00 0.00 H new ATOM 1415 N GLN B 41 -5.309 -3.943 8.956 1.00 0.00 N ATOM 1416 CA GLN B 41 -5.302 -3.937 7.496 1.00 0.00 C ATOM 1417 C GLN B 41 -6.099 -2.752 6.957 1.00 0.00 C ATOM 1418 O GLN B 41 -7.148 -2.404 7.497 1.00 0.00 O ATOM 1419 CB GLN B 41 -5.876 -5.248 6.955 1.00 0.00 C ATOM 1420 CG GLN B 41 -7.316 -5.500 7.369 1.00 0.00 C ATOM 1421 CD GLN B 41 -7.852 -6.819 6.847 1.00 0.00 C ATOM 1422 OE1 GLN B 41 -7.316 -7.884 7.150 1.00 0.00 O ATOM 1423 NE2 GLN B 41 -8.920 -6.752 6.059 1.00 0.00 N ATOM 0 H GLN B 41 -5.865 -4.690 9.371 1.00 0.00 H new ATOM 0 HA GLN B 41 -4.270 -3.840 7.160 1.00 0.00 H new ATOM 0 HB2 GLN B 41 -5.816 -5.239 5.867 1.00 0.00 H new ATOM 0 HB3 GLN B 41 -5.257 -6.076 7.301 1.00 0.00 H new ATOM 0 HG2 GLN B 41 -7.384 -5.490 8.457 1.00 0.00 H new ATOM 0 HG3 GLN B 41 -7.943 -4.687 7.003 1.00 0.00 H new ATOM 0 HE21 GLN B 41 -9.332 -5.846 5.834 1.00 0.00 H new ATOM 0 HE22 GLN B 41 -9.328 -7.606 5.679 1.00 0.00 H new ATOM 1432 N ARG B 42 -5.595 -2.131 5.896 1.00 0.00 N ATOM 1433 CA ARG B 42 -6.270 -0.983 5.302 1.00 0.00 C ATOM 1434 C ARG B 42 -6.413 -1.146 3.792 1.00 0.00 C ATOM 1435 O ARG B 42 -5.428 -1.344 3.081 1.00 0.00 O ATOM 1436 CB ARG B 42 -5.493 0.298 5.612 1.00 0.00 C ATOM 1437 CG ARG B 42 -5.296 0.548 7.100 1.00 0.00 C ATOM 1438 CD ARG B 42 -6.622 0.763 7.812 1.00 0.00 C ATOM 1439 NE ARG B 42 -7.333 1.932 7.298 1.00 0.00 N ATOM 1440 CZ ARG B 42 -8.537 2.308 7.721 1.00 0.00 C ATOM 1441 NH1 ARG B 42 -9.166 1.605 8.652 1.00 0.00 N ATOM 1442 NH2 ARG B 42 -9.112 3.388 7.211 1.00 0.00 N ATOM 0 H ARG B 42 -4.727 -2.401 5.432 1.00 0.00 H new ATOM 0 HA ARG B 42 -7.268 -0.918 5.734 1.00 0.00 H new ATOM 0 HB2 ARG B 42 -4.517 0.247 5.129 1.00 0.00 H new ATOM 0 HB3 ARG B 42 -6.020 1.147 5.176 1.00 0.00 H new ATOM 0 HG2 ARG B 42 -4.776 -0.300 7.546 1.00 0.00 H new ATOM 0 HG3 ARG B 42 -4.660 1.422 7.242 1.00 0.00 H new ATOM 0 HD2 ARG B 42 -7.246 -0.123 7.693 1.00 0.00 H new ATOM 0 HD3 ARG B 42 -6.445 0.887 8.880 1.00 0.00 H new ATOM 0 HE ARG B 42 -6.881 2.491 6.574 1.00 0.00 H new ATOM 0 HH11 ARG B 42 -8.727 0.773 9.046 1.00 0.00 H new ATOM 0 HH12 ARG B 42 -10.089 1.896 8.974 1.00 0.00 H new ATOM 0 HH21 ARG B 42 -8.631 3.931 6.494 1.00 0.00 H new ATOM 0 HH22 ARG B 42 -10.035 3.676 7.536 1.00 0.00 H new ATOM 1456 N LEU B 43 -7.648 -1.053 3.310 1.00 0.00 N ATOM 1457 CA LEU B 43 -7.927 -1.180 1.885 1.00 0.00 C ATOM 1458 C LEU B 43 -8.028 0.193 1.229 1.00 0.00 C ATOM 1459 O LEU B 43 -9.123 0.724 1.048 1.00 0.00 O ATOM 1460 CB LEU B 43 -9.226 -1.958 1.664 1.00 0.00 C ATOM 1461 CG LEU B 43 -9.231 -3.391 2.201 1.00 0.00 C ATOM 1462 CD1 LEU B 43 -10.580 -4.046 1.952 1.00 0.00 C ATOM 1463 CD2 LEU B 43 -8.117 -4.207 1.562 1.00 0.00 C ATOM 0 H LEU B 43 -8.473 -0.890 3.887 1.00 0.00 H new ATOM 0 HA LEU B 43 -7.103 -1.726 1.426 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -10.043 -1.409 2.133 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -9.435 -1.988 0.595 1.00 0.00 H new ATOM 0 HG LEU B 43 -9.056 -3.356 3.276 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -10.567 -5.065 2.340 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -11.360 -3.476 2.456 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -10.782 -4.068 0.881 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -8.137 -5.223 1.957 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -8.260 -4.235 0.482 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -7.154 -3.749 1.789 1.00 0.00 H new ATOM 1475 N ILE B 44 -6.880 0.764 0.877 1.00 0.00 N ATOM 1476 CA ILE B 44 -6.847 2.077 0.246 1.00 0.00 C ATOM 1477 C ILE B 44 -7.125 1.978 -1.250 1.00 0.00 C ATOM 1478 O ILE B 44 -6.683 1.043 -1.922 1.00 0.00 O ATOM 1479 CB ILE B 44 -5.490 2.778 0.454 1.00 0.00 C ATOM 1480 CG1 ILE B 44 -5.188 2.942 1.943 1.00 0.00 C ATOM 1481 CG2 ILE B 44 -5.490 4.136 -0.238 1.00 0.00 C ATOM 1482 CD1 ILE B 44 -3.738 3.258 2.230 1.00 0.00 C ATOM 0 H ILE B 44 -5.964 0.339 1.018 1.00 0.00 H new ATOM 0 HA ILE B 44 -7.628 2.668 0.724 1.00 0.00 H new ATOM 0 HB ILE B 44 -4.710 2.157 0.014 1.00 0.00 H new ATOM 0 HG12 ILE B 44 -5.813 3.739 2.347 1.00 0.00 H new ATOM 0 HG13 ILE B 44 -5.463 2.025 2.465 1.00 0.00 H new ATOM 0 HG21 ILE B 44 -4.527 4.622 -0.085 1.00 0.00 H new ATOM 0 HG22 ILE B 44 -5.662 4.000 -1.306 1.00 0.00 H new ATOM 0 HG23 ILE B 44 -6.281 4.758 0.181 1.00 0.00 H new ATOM 0 HD11 ILE B 44 -3.594 3.361 3.306 1.00 0.00 H new ATOM 0 HD12 ILE B 44 -3.109 2.451 1.856 1.00 0.00 H new ATOM 0 HD13 ILE B 44 -3.464 4.190 1.736 1.00 0.00 H new ATOM 1494 N PHE B 45 -7.861 2.961 -1.758 1.00 0.00 N ATOM 1495 CA PHE B 45 -8.215 3.018 -3.167 1.00 0.00 C ATOM 1496 C PHE B 45 -8.675 4.425 -3.532 1.00 0.00 C ATOM 1497 O PHE B 45 -9.328 5.098 -2.728 1.00 0.00 O ATOM 1498 CB PHE B 45 -9.316 2.000 -3.483 1.00 0.00 C ATOM 1499 CG PHE B 45 -9.756 1.999 -4.921 1.00 0.00 C ATOM 1500 CD1 PHE B 45 -8.825 1.994 -5.950 1.00 0.00 C ATOM 1501 CD2 PHE B 45 -11.104 2.000 -5.244 1.00 0.00 C ATOM 1502 CE1 PHE B 45 -9.232 1.992 -7.271 1.00 0.00 C ATOM 1503 CE2 PHE B 45 -11.516 1.997 -6.563 1.00 0.00 C ATOM 1504 CZ PHE B 45 -10.579 1.993 -7.578 1.00 0.00 C ATOM 0 H PHE B 45 -8.226 3.736 -1.205 1.00 0.00 H new ATOM 0 HA PHE B 45 -7.335 2.769 -3.760 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -8.960 1.003 -3.222 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -10.179 2.206 -2.850 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -7.771 1.992 -5.716 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -11.841 2.003 -4.455 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -8.497 1.990 -8.063 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -12.570 1.998 -6.800 1.00 0.00 H new ATOM 0 HZ PHE B 45 -10.899 1.991 -8.610 1.00 0.00 H new ATOM 1514 N ALA B 46 -8.314 4.869 -4.739 1.00 0.00 N ATOM 1515 CA ALA B 46 -8.674 6.204 -5.221 1.00 0.00 C ATOM 1516 C ALA B 46 -7.901 7.297 -4.487 1.00 0.00 C ATOM 1517 O ALA B 46 -7.624 8.356 -5.049 1.00 0.00 O ATOM 1518 CB ALA B 46 -10.174 6.436 -5.086 1.00 0.00 C ATOM 0 H ALA B 46 -7.769 4.319 -5.403 1.00 0.00 H new ATOM 0 HA ALA B 46 -8.402 6.255 -6.275 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -10.422 7.433 -5.449 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -10.712 5.692 -5.673 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -10.463 6.349 -4.039 1.00 0.00 H new ATOM 1524 N GLY B 47 -7.566 7.037 -3.230 1.00 0.00 N ATOM 1525 CA GLY B 47 -6.840 8.006 -2.436 1.00 0.00 C ATOM 1526 C GLY B 47 -6.912 7.704 -0.952 1.00 0.00 C ATOM 1527 O GLY B 47 -6.159 8.273 -0.161 1.00 0.00 O ATOM 0 H GLY B 47 -7.786 6.167 -2.745 1.00 0.00 H new ATOM 0 HA2 GLY B 47 -5.797 8.022 -2.751 1.00 0.00 H new ATOM 0 HA3 GLY B 47 -7.244 9.001 -2.622 1.00 0.00 H new ATOM 1531 N LYS B 48 -7.829 6.818 -0.566 1.00 0.00 N ATOM 1532 CA LYS B 48 -7.993 6.465 0.839 1.00 0.00 C ATOM 1533 C LYS B 48 -8.804 5.186 0.999 1.00 0.00 C ATOM 1534 O LYS B 48 -9.485 4.749 0.071 1.00 0.00 O ATOM 1535 CB LYS B 48 -8.680 7.605 1.589 1.00 0.00 C ATOM 1536 CG LYS B 48 -10.003 8.013 0.970 1.00 0.00 C ATOM 1537 CD LYS B 48 -10.708 9.066 1.803 1.00 0.00 C ATOM 1538 CE LYS B 48 -12.000 9.517 1.141 1.00 0.00 C ATOM 1539 NZ LYS B 48 -11.748 10.237 -0.138 1.00 0.00 N ATOM 0 H LYS B 48 -8.464 6.336 -1.202 1.00 0.00 H new ATOM 0 HA LYS B 48 -7.001 6.296 1.258 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -8.847 7.303 2.623 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -8.015 8.469 1.613 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.832 8.398 -0.035 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -10.644 7.137 0.871 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -10.924 8.665 2.793 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -10.050 9.923 1.943 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -12.632 8.650 0.951 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -12.549 10.168 1.822 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -12.614 10.729 -0.436 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -10.985 10.931 -0.001 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -11.468 9.555 -0.871 1.00 0.00 H new ATOM 1553 N GLN B 49 -8.721 4.592 2.186 1.00 0.00 N ATOM 1554 CA GLN B 49 -9.445 3.364 2.481 1.00 0.00 C ATOM 1555 C GLN B 49 -10.927 3.536 2.150 1.00 0.00 C ATOM 1556 O GLN B 49 -11.522 4.570 2.452 1.00 0.00 O ATOM 1557 CB GLN B 49 -9.250 2.985 3.953 1.00 0.00 C ATOM 1558 CG GLN B 49 -9.576 1.534 4.266 1.00 0.00 C ATOM 1559 CD GLN B 49 -11.061 1.241 4.222 1.00 0.00 C ATOM 1560 OE1 GLN B 49 -11.828 1.773 5.020 1.00 0.00 O ATOM 1561 NE2 GLN B 49 -11.470 0.391 3.287 1.00 0.00 N ATOM 0 H GLN B 49 -8.157 4.944 2.960 1.00 0.00 H new ATOM 0 HA GLN B 49 -9.052 2.556 1.864 1.00 0.00 H new ATOM 0 HB2 GLN B 49 -8.216 3.183 4.235 1.00 0.00 H new ATOM 0 HB3 GLN B 49 -9.877 3.629 4.570 1.00 0.00 H new ATOM 0 HG2 GLN B 49 -9.062 0.889 3.553 1.00 0.00 H new ATOM 0 HG3 GLN B 49 -9.191 1.286 5.255 1.00 0.00 H new ATOM 0 HE21 GLN B 49 -10.795 -0.026 2.646 1.00 0.00 H new ATOM 0 HE22 GLN B 49 -12.459 0.155 3.210 1.00 0.00 H new ATOM 1570 N LEU B 50 -11.502 2.531 1.495 1.00 0.00 N ATOM 1571 CA LEU B 50 -12.903 2.575 1.079 1.00 0.00 C ATOM 1572 C LEU B 50 -13.873 2.353 2.243 1.00 0.00 C ATOM 1573 O LEU B 50 -14.852 1.620 2.107 1.00 0.00 O ATOM 1574 CB LEU B 50 -13.151 1.529 -0.011 1.00 0.00 C ATOM 1575 CG LEU B 50 -12.287 1.683 -1.266 1.00 0.00 C ATOM 1576 CD1 LEU B 50 -12.563 0.555 -2.248 1.00 0.00 C ATOM 1577 CD2 LEU B 50 -12.537 3.034 -1.921 1.00 0.00 C ATOM 0 H LEU B 50 -11.017 1.671 1.239 1.00 0.00 H new ATOM 0 HA LEU B 50 -13.093 3.576 0.691 1.00 0.00 H new ATOM 0 HB2 LEU B 50 -12.979 0.539 0.411 1.00 0.00 H new ATOM 0 HB3 LEU B 50 -14.200 1.573 -0.303 1.00 0.00 H new ATOM 0 HG LEU B 50 -11.239 1.631 -0.971 1.00 0.00 H new ATOM 0 HD11 LEU B 50 -11.940 0.682 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU B 50 -12.334 -0.401 -1.777 1.00 0.00 H new ATOM 0 HD13 LEU B 50 -13.613 0.574 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU B 50 -11.915 3.127 -2.811 1.00 0.00 H new ATOM 0 HD22 LEU B 50 -13.587 3.113 -2.202 1.00 0.00 H new ATOM 0 HD23 LEU B 50 -12.288 3.830 -1.219 1.00 0.00 H new ATOM 1589 N GLU B 51 -13.612 3.001 3.378 1.00 0.00 N ATOM 1590 CA GLU B 51 -14.480 2.880 4.550 1.00 0.00 C ATOM 1591 C GLU B 51 -14.734 1.418 4.907 1.00 0.00 C ATOM 1592 O GLU B 51 -14.055 0.517 4.418 1.00 0.00 O ATOM 1593 CB GLU B 51 -15.805 3.607 4.295 1.00 0.00 C ATOM 1594 CG GLU B 51 -15.637 5.094 4.029 1.00 0.00 C ATOM 1595 CD GLU B 51 -16.959 5.803 3.807 1.00 0.00 C ATOM 1596 OE1 GLU B 51 -17.815 5.759 4.715 1.00 0.00 O ATOM 1597 OE2 GLU B 51 -17.137 6.404 2.727 1.00 0.00 O ATOM 0 H GLU B 51 -12.808 3.614 3.511 1.00 0.00 H new ATOM 0 HA GLU B 51 -13.974 3.343 5.397 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -16.305 3.147 3.442 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -16.457 3.471 5.158 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -15.120 5.553 4.872 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -15.004 5.233 3.153 1.00 0.00 H new ATOM 1604 N ASP B 52 -15.716 1.197 5.769 1.00 0.00 N ATOM 1605 CA ASP B 52 -16.071 -0.147 6.207 1.00 0.00 C ATOM 1606 C ASP B 52 -17.578 -0.244 6.431 1.00 0.00 C ATOM 1607 O ASP B 52 -18.039 -0.663 7.493 1.00 0.00 O ATOM 1608 CB ASP B 52 -15.316 -0.497 7.494 1.00 0.00 C ATOM 1609 CG ASP B 52 -15.382 -1.974 7.837 1.00 0.00 C ATOM 1610 OD1 ASP B 52 -16.499 -2.495 8.027 1.00 0.00 O ATOM 1611 OD2 ASP B 52 -14.312 -2.611 7.918 1.00 0.00 O ATOM 0 H ASP B 52 -16.285 1.936 6.182 1.00 0.00 H new ATOM 0 HA ASP B 52 -15.787 -0.859 5.432 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -14.272 -0.200 7.389 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -15.730 0.081 8.320 1.00 0.00 H new ATOM 1616 N GLY B 53 -18.342 0.161 5.421 1.00 0.00 N ATOM 1617 CA GLY B 53 -19.787 0.124 5.521 1.00 0.00 C ATOM 1618 C GLY B 53 -20.469 0.755 4.323 1.00 0.00 C ATOM 1619 O GLY B 53 -21.365 1.585 4.479 1.00 0.00 O ATOM 0 H GLY B 53 -17.984 0.515 4.534 1.00 0.00 H new ATOM 0 HA2 GLY B 53 -20.115 -0.911 5.618 1.00 0.00 H new ATOM 0 HA3 GLY B 53 -20.099 0.643 6.427 1.00 0.00 H new ATOM 1623 N ARG B 54 -20.042 0.363 3.126 1.00 0.00 N ATOM 1624 CA ARG B 54 -20.615 0.898 1.894 1.00 0.00 C ATOM 1625 C ARG B 54 -20.749 -0.197 0.837 1.00 0.00 C ATOM 1626 O ARG B 54 -21.047 -1.346 1.163 1.00 0.00 O ATOM 1627 CB ARG B 54 -19.746 2.042 1.363 1.00 0.00 C ATOM 1628 CG ARG B 54 -19.636 3.226 2.314 1.00 0.00 C ATOM 1629 CD ARG B 54 -20.982 3.900 2.523 1.00 0.00 C ATOM 1630 NE ARG B 54 -20.892 5.028 3.447 1.00 0.00 N ATOM 1631 CZ ARG B 54 -21.930 5.788 3.786 1.00 0.00 C ATOM 1632 NH1 ARG B 54 -23.130 5.548 3.275 1.00 0.00 N ATOM 1633 NH2 ARG B 54 -21.768 6.792 4.638 1.00 0.00 N ATOM 0 H ARG B 54 -19.301 -0.323 2.983 1.00 0.00 H new ATOM 0 HA ARG B 54 -21.611 1.282 2.116 1.00 0.00 H new ATOM 0 HB2 ARG B 54 -18.746 1.660 1.157 1.00 0.00 H new ATOM 0 HB3 ARG B 54 -20.157 2.387 0.414 1.00 0.00 H new ATOM 0 HG2 ARG B 54 -19.244 2.888 3.273 1.00 0.00 H new ATOM 0 HG3 ARG B 54 -18.924 3.949 1.916 1.00 0.00 H new ATOM 0 HD2 ARG B 54 -21.366 4.247 1.564 1.00 0.00 H new ATOM 0 HD3 ARG B 54 -21.696 3.172 2.908 1.00 0.00 H new ATOM 0 HE ARG B 54 -19.983 5.245 3.855 1.00 0.00 H new ATOM 0 HH11 ARG B 54 -23.260 4.778 2.619 1.00 0.00 H new ATOM 0 HH12 ARG B 54 -23.923 6.133 3.538 1.00 0.00 H new ATOM 0 HH21 ARG B 54 -20.847 6.982 5.034 1.00 0.00 H new ATOM 0 HH22 ARG B 54 -22.564 7.374 4.897 1.00 0.00 H new ATOM 1647 N THR B 55 -20.531 0.162 -0.429 1.00 0.00 N ATOM 1648 CA THR B 55 -20.633 -0.796 -1.528 1.00 0.00 C ATOM 1649 C THR B 55 -19.700 -0.418 -2.675 1.00 0.00 C ATOM 1650 O THR B 55 -19.460 0.763 -2.929 1.00 0.00 O ATOM 1651 CB THR B 55 -22.071 -0.878 -2.083 1.00 0.00 C ATOM 1652 OG1 THR B 55 -22.481 0.405 -2.570 1.00 0.00 O ATOM 1653 CG2 THR B 55 -23.049 -1.354 -1.019 1.00 0.00 C ATOM 0 H THR B 55 -20.283 1.108 -0.717 1.00 0.00 H new ATOM 0 HA THR B 55 -20.348 -1.765 -1.119 1.00 0.00 H new ATOM 0 HB THR B 55 -22.074 -1.600 -2.899 1.00 0.00 H new ATOM 0 HG1 THR B 55 -23.394 0.345 -2.922 1.00 0.00 H new ATOM 0 HG21 THR B 55 -24.052 -1.401 -1.442 1.00 0.00 H new ATOM 0 HG22 THR B 55 -22.755 -2.344 -0.672 1.00 0.00 H new ATOM 0 HG23 THR B 55 -23.041 -0.658 -0.180 1.00 0.00 H new ATOM 1661 N LEU B 56 -19.182 -1.430 -3.369 1.00 0.00 N ATOM 1662 CA LEU B 56 -18.281 -1.206 -4.497 1.00 0.00 C ATOM 1663 C LEU B 56 -18.914 -0.259 -5.515 1.00 0.00 C ATOM 1664 O LEU B 56 -18.245 0.614 -6.066 1.00 0.00 O ATOM 1665 CB LEU B 56 -17.936 -2.536 -5.176 1.00 0.00 C ATOM 1666 CG LEU B 56 -17.082 -3.500 -4.346 1.00 0.00 C ATOM 1667 CD1 LEU B 56 -16.954 -4.840 -5.054 1.00 0.00 C ATOM 1668 CD2 LEU B 56 -15.705 -2.906 -4.089 1.00 0.00 C ATOM 0 H LEU B 56 -19.371 -2.412 -3.170 1.00 0.00 H new ATOM 0 HA LEU B 56 -17.367 -0.751 -4.115 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -18.865 -3.039 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -17.411 -2.323 -6.107 1.00 0.00 H new ATOM 0 HG LEU B 56 -17.576 -3.658 -3.387 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -16.344 -5.513 -4.451 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -17.944 -5.274 -5.193 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -16.482 -4.695 -6.025 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -15.112 -3.604 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -15.206 -2.720 -5.040 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -15.809 -1.968 -3.545 1.00 0.00 H new ATOM 1680 N SER B 57 -20.206 -0.449 -5.758 1.00 0.00 N ATOM 1681 CA SER B 57 -20.942 0.376 -6.712 1.00 0.00 C ATOM 1682 C SER B 57 -20.977 1.837 -6.272 1.00 0.00 C ATOM 1683 O SER B 57 -20.959 2.744 -7.104 1.00 0.00 O ATOM 1684 CB SER B 57 -22.369 -0.151 -6.876 1.00 0.00 C ATOM 1685 OG SER B 57 -22.368 -1.496 -7.320 1.00 0.00 O ATOM 0 H SER B 57 -20.768 -1.170 -5.306 1.00 0.00 H new ATOM 0 HA SER B 57 -20.424 0.321 -7.669 1.00 0.00 H new ATOM 0 HB2 SER B 57 -22.898 -0.079 -5.926 1.00 0.00 H new ATOM 0 HB3 SER B 57 -22.910 0.470 -7.590 1.00 0.00 H new ATOM 0 HG SER B 57 -22.573 -2.089 -6.567 1.00 0.00 H new ATOM 1691 N ASP B 58 -21.041 2.059 -4.962 1.00 0.00 N ATOM 1692 CA ASP B 58 -21.094 3.411 -4.414 1.00 0.00 C ATOM 1693 C ASP B 58 -19.904 4.246 -4.883 1.00 0.00 C ATOM 1694 O ASP B 58 -20.077 5.362 -5.372 1.00 0.00 O ATOM 1695 CB ASP B 58 -21.125 3.364 -2.885 1.00 0.00 C ATOM 1696 CG ASP B 58 -21.302 4.736 -2.262 1.00 0.00 C ATOM 1697 OD1 ASP B 58 -21.449 5.721 -3.017 1.00 0.00 O ATOM 1698 OD2 ASP B 58 -21.298 4.825 -1.016 1.00 0.00 O ATOM 0 H ASP B 58 -21.057 1.319 -4.260 1.00 0.00 H new ATOM 0 HA ASP B 58 -22.007 3.882 -4.778 1.00 0.00 H new ATOM 0 HB2 ASP B 58 -21.939 2.715 -2.562 1.00 0.00 H new ATOM 0 HB3 ASP B 58 -20.199 2.920 -2.520 1.00 0.00 H new ATOM 1703 N TYR B 59 -18.698 3.705 -4.730 1.00 0.00 N ATOM 1704 CA TYR B 59 -17.490 4.415 -5.142 1.00 0.00 C ATOM 1705 C TYR B 59 -17.278 4.311 -6.650 1.00 0.00 C ATOM 1706 O TYR B 59 -16.167 4.514 -7.142 1.00 0.00 O ATOM 1707 CB TYR B 59 -16.261 3.864 -4.412 1.00 0.00 C ATOM 1708 CG TYR B 59 -16.342 3.968 -2.904 1.00 0.00 C ATOM 1709 CD1 TYR B 59 -17.215 3.168 -2.175 1.00 0.00 C ATOM 1710 CD2 TYR B 59 -15.536 4.861 -2.208 1.00 0.00 C ATOM 1711 CE1 TYR B 59 -17.284 3.258 -0.800 1.00 0.00 C ATOM 1712 CE2 TYR B 59 -15.599 4.954 -0.830 1.00 0.00 C ATOM 1713 CZ TYR B 59 -16.475 4.152 -0.131 1.00 0.00 C ATOM 1714 OH TYR B 59 -16.543 4.243 1.239 1.00 0.00 O ATOM 0 H TYR B 59 -18.531 2.783 -4.326 1.00 0.00 H new ATOM 0 HA TYR B 59 -17.621 5.465 -4.879 1.00 0.00 H new ATOM 0 HB2 TYR B 59 -16.127 2.818 -4.687 1.00 0.00 H new ATOM 0 HB3 TYR B 59 -15.376 4.400 -4.756 1.00 0.00 H new ATOM 0 HD1 TYR B 59 -17.849 2.465 -2.694 1.00 0.00 H new ATOM 0 HD2 TYR B 59 -14.849 5.492 -2.752 1.00 0.00 H new ATOM 0 HE1 TYR B 59 -17.969 2.630 -0.250 1.00 0.00 H new ATOM 0 HE2 TYR B 59 -14.965 5.652 -0.304 1.00 0.00 H new ATOM 0 HH TYR B 59 -16.874 5.130 1.492 1.00 0.00 H new ATOM 1724 N ASN B 60 -18.349 3.993 -7.376 1.00 0.00 N ATOM 1725 CA ASN B 60 -18.283 3.859 -8.828 1.00 0.00 C ATOM 1726 C ASN B 60 -17.071 3.024 -9.234 1.00 0.00 C ATOM 1727 O ASN B 60 -16.414 3.299 -10.239 1.00 0.00 O ATOM 1728 CB ASN B 60 -18.223 5.242 -9.484 1.00 0.00 C ATOM 1729 CG ASN B 60 -18.308 5.174 -10.997 1.00 0.00 C ATOM 1730 OD1 ASN B 60 -19.292 4.686 -11.553 1.00 0.00 O ATOM 1731 ND2 ASN B 60 -17.276 5.667 -11.671 1.00 0.00 N ATOM 0 H ASN B 60 -19.274 3.823 -6.980 1.00 0.00 H new ATOM 0 HA ASN B 60 -19.182 3.348 -9.171 1.00 0.00 H new ATOM 0 HB2 ASN B 60 -19.040 5.856 -9.105 1.00 0.00 H new ATOM 0 HB3 ASN B 60 -17.294 5.736 -9.198 1.00 0.00 H new ATOM 0 HD21 ASN B 60 -17.278 5.651 -12.691 1.00 0.00 H new ATOM 0 HD22 ASN B 60 -16.481 6.062 -11.169 1.00 0.00 H new ATOM 1738 N ILE B 61 -16.776 2.003 -8.436 1.00 0.00 N ATOM 1739 CA ILE B 61 -15.642 1.126 -8.696 1.00 0.00 C ATOM 1740 C ILE B 61 -15.865 0.294 -9.956 1.00 0.00 C ATOM 1741 O ILE B 61 -16.903 -0.347 -10.117 1.00 0.00 O ATOM 1742 CB ILE B 61 -15.373 0.198 -7.494 1.00 0.00 C ATOM 1743 CG1 ILE B 61 -15.011 1.033 -6.261 1.00 0.00 C ATOM 1744 CG2 ILE B 61 -14.266 -0.797 -7.814 1.00 0.00 C ATOM 1745 CD1 ILE B 61 -14.757 0.211 -5.016 1.00 0.00 C ATOM 0 H ILE B 61 -17.310 1.763 -7.601 1.00 0.00 H new ATOM 0 HA ILE B 61 -14.769 1.760 -8.850 1.00 0.00 H new ATOM 0 HB ILE B 61 -16.280 -0.369 -7.281 1.00 0.00 H new ATOM 0 HG12 ILE B 61 -14.122 1.623 -6.482 1.00 0.00 H new ATOM 0 HG13 ILE B 61 -15.819 1.737 -6.061 1.00 0.00 H new ATOM 0 HG21 ILE B 61 -14.094 -1.440 -6.951 1.00 0.00 H new ATOM 0 HG22 ILE B 61 -14.560 -1.407 -8.668 1.00 0.00 H new ATOM 0 HG23 ILE B 61 -13.349 -0.257 -8.052 1.00 0.00 H new ATOM 0 HD11 ILE B 61 -14.507 0.873 -4.187 1.00 0.00 H new ATOM 0 HD12 ILE B 61 -15.652 -0.359 -4.767 1.00 0.00 H new ATOM 0 HD13 ILE B 61 -13.929 -0.474 -5.195 1.00 0.00 H new ATOM 1757 N GLN B 62 -14.879 0.321 -10.848 1.00 0.00 N ATOM 1758 CA GLN B 62 -14.946 -0.414 -12.104 1.00 0.00 C ATOM 1759 C GLN B 62 -14.927 -1.928 -11.861 1.00 0.00 C ATOM 1760 O GLN B 62 -15.856 -2.481 -11.273 1.00 0.00 O ATOM 1761 CB GLN B 62 -13.784 0.007 -13.007 1.00 0.00 C ATOM 1762 CG GLN B 62 -13.922 -0.471 -14.441 1.00 0.00 C ATOM 1763 CD GLN B 62 -12.752 -0.050 -15.308 1.00 0.00 C ATOM 1764 OE1 GLN B 62 -11.607 -0.420 -15.047 1.00 0.00 O ATOM 1765 NE2 GLN B 62 -13.033 0.731 -16.345 1.00 0.00 N ATOM 0 H GLN B 62 -14.016 0.850 -10.720 1.00 0.00 H new ATOM 0 HA GLN B 62 -15.887 -0.175 -12.600 1.00 0.00 H new ATOM 0 HB2 GLN B 62 -13.707 1.094 -13.002 1.00 0.00 H new ATOM 0 HB3 GLN B 62 -12.854 -0.381 -12.592 1.00 0.00 H new ATOM 0 HG2 GLN B 62 -14.006 -1.558 -14.452 1.00 0.00 H new ATOM 0 HG3 GLN B 62 -14.845 -0.076 -14.865 1.00 0.00 H new ATOM 0 HE21 GLN B 62 -13.997 1.014 -16.524 1.00 0.00 H new ATOM 0 HE22 GLN B 62 -12.285 1.048 -16.962 1.00 0.00 H new ATOM 1774 N LYS B 63 -13.868 -2.591 -12.321 1.00 0.00 N ATOM 1775 CA LYS B 63 -13.732 -4.035 -12.160 1.00 0.00 C ATOM 1776 C LYS B 63 -12.262 -4.439 -12.179 1.00 0.00 C ATOM 1777 O LYS B 63 -11.432 -3.736 -12.756 1.00 0.00 O ATOM 1778 CB LYS B 63 -14.485 -4.770 -13.272 1.00 0.00 C ATOM 1779 CG LYS B 63 -13.949 -4.478 -14.666 1.00 0.00 C ATOM 1780 CD LYS B 63 -14.670 -5.294 -15.729 1.00 0.00 C ATOM 1781 CE LYS B 63 -16.150 -4.951 -15.797 1.00 0.00 C ATOM 1782 NZ LYS B 63 -16.858 -5.749 -16.836 1.00 0.00 N ATOM 0 H LYS B 63 -13.090 -2.148 -12.810 1.00 0.00 H new ATOM 0 HA LYS B 63 -14.162 -4.312 -11.197 1.00 0.00 H new ATOM 0 HB2 LYS B 63 -14.431 -5.843 -13.088 1.00 0.00 H new ATOM 0 HB3 LYS B 63 -15.538 -4.492 -13.231 1.00 0.00 H new ATOM 0 HG2 LYS B 63 -14.062 -3.416 -14.884 1.00 0.00 H new ATOM 0 HG3 LYS B 63 -12.882 -4.699 -14.699 1.00 0.00 H new ATOM 0 HD2 LYS B 63 -14.210 -5.113 -16.700 1.00 0.00 H new ATOM 0 HD3 LYS B 63 -14.553 -6.356 -15.514 1.00 0.00 H new ATOM 0 HE2 LYS B 63 -16.609 -5.131 -14.825 1.00 0.00 H new ATOM 0 HE3 LYS B 63 -16.267 -3.889 -16.013 1.00 0.00 H new ATOM 0 HZ1 LYS B 63 -17.864 -5.485 -16.850 1.00 0.00 H new ATOM 0 HZ2 LYS B 63 -16.437 -5.558 -17.767 1.00 0.00 H new ATOM 0 HZ3 LYS B 63 -16.769 -6.762 -16.617 1.00 0.00 H new ATOM 1796 N GLU B 64 -11.949 -5.565 -11.532 1.00 0.00 N ATOM 1797 CA GLU B 64 -10.578 -6.072 -11.455 1.00 0.00 C ATOM 1798 C GLU B 64 -9.608 -4.952 -11.080 1.00 0.00 C ATOM 1799 O GLU B 64 -8.452 -4.941 -11.505 1.00 0.00 O ATOM 1800 CB GLU B 64 -10.160 -6.744 -12.776 1.00 0.00 C ATOM 1801 CG GLU B 64 -9.959 -5.788 -13.937 1.00 0.00 C ATOM 1802 CD GLU B 64 -9.606 -6.503 -15.227 1.00 0.00 C ATOM 1803 OE1 GLU B 64 -10.417 -7.332 -15.687 1.00 0.00 O ATOM 1804 OE2 GLU B 64 -8.515 -6.234 -15.774 1.00 0.00 O ATOM 0 H GLU B 64 -12.634 -6.147 -11.050 1.00 0.00 H new ATOM 0 HA GLU B 64 -10.542 -6.829 -10.672 1.00 0.00 H new ATOM 0 HB2 GLU B 64 -9.233 -7.294 -12.611 1.00 0.00 H new ATOM 0 HB3 GLU B 64 -10.920 -7.475 -13.052 1.00 0.00 H new ATOM 0 HG2 GLU B 64 -10.869 -5.206 -14.086 1.00 0.00 H new ATOM 0 HG3 GLU B 64 -9.166 -5.082 -13.689 1.00 0.00 H new ATOM 1811 N SER B 65 -10.096 -4.014 -10.270 1.00 0.00 N ATOM 1812 CA SER B 65 -9.290 -2.884 -9.820 1.00 0.00 C ATOM 1813 C SER B 65 -8.304 -3.317 -8.742 1.00 0.00 C ATOM 1814 O SER B 65 -8.650 -4.081 -7.841 1.00 0.00 O ATOM 1815 CB SER B 65 -10.192 -1.770 -9.286 1.00 0.00 C ATOM 1816 OG SER B 65 -9.428 -0.661 -8.846 1.00 0.00 O ATOM 0 H SER B 65 -11.051 -4.016 -9.911 1.00 0.00 H new ATOM 0 HA SER B 65 -8.726 -2.507 -10.673 1.00 0.00 H new ATOM 0 HB2 SER B 65 -10.883 -1.452 -10.066 1.00 0.00 H new ATOM 0 HB3 SER B 65 -10.795 -2.150 -8.461 1.00 0.00 H new ATOM 0 HG SER B 65 -10.018 -0.009 -8.413 1.00 0.00 H new ATOM 1822 N THR B 66 -7.072 -2.830 -8.842 1.00 0.00 N ATOM 1823 CA THR B 66 -6.036 -3.174 -7.877 1.00 0.00 C ATOM 1824 C THR B 66 -6.113 -2.302 -6.626 1.00 0.00 C ATOM 1825 O THR B 66 -5.639 -1.165 -6.621 1.00 0.00 O ATOM 1826 CB THR B 66 -4.631 -3.035 -8.497 1.00 0.00 C ATOM 1827 OG1 THR B 66 -4.517 -3.879 -9.648 1.00 0.00 O ATOM 1828 CG2 THR B 66 -3.552 -3.399 -7.488 1.00 0.00 C ATOM 0 H THR B 66 -6.767 -2.196 -9.581 1.00 0.00 H new ATOM 0 HA THR B 66 -6.209 -4.212 -7.593 1.00 0.00 H new ATOM 0 HB THR B 66 -4.493 -1.995 -8.793 1.00 0.00 H new ATOM 0 HG1 THR B 66 -3.622 -3.783 -10.037 1.00 0.00 H new ATOM 0 HG21 THR B 66 -2.571 -3.293 -7.950 1.00 0.00 H new ATOM 0 HG22 THR B 66 -3.621 -2.735 -6.626 1.00 0.00 H new ATOM 0 HG23 THR B 66 -3.690 -4.430 -7.164 1.00 0.00 H new ATOM 1836 N LEU B 67 -6.687 -2.848 -5.557 1.00 0.00 N ATOM 1837 CA LEU B 67 -6.791 -2.125 -4.293 1.00 0.00 C ATOM 1838 C LEU B 67 -5.527 -2.330 -3.469 1.00 0.00 C ATOM 1839 O LEU B 67 -5.013 -3.445 -3.377 1.00 0.00 O ATOM 1840 CB LEU B 67 -8.018 -2.575 -3.495 1.00 0.00 C ATOM 1841 CG LEU B 67 -9.360 -2.041 -4.003 1.00 0.00 C ATOM 1842 CD1 LEU B 67 -9.692 -2.614 -5.370 1.00 0.00 C ATOM 1843 CD2 LEU B 67 -10.467 -2.354 -3.008 1.00 0.00 C ATOM 0 H LEU B 67 -7.086 -3.786 -5.541 1.00 0.00 H new ATOM 0 HA LEU B 67 -6.906 -1.065 -4.518 1.00 0.00 H new ATOM 0 HB2 LEU B 67 -8.054 -3.664 -3.499 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -7.891 -2.264 -2.458 1.00 0.00 H new ATOM 0 HG LEU B 67 -9.279 -0.959 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -10.650 -2.218 -5.707 1.00 0.00 H new ATOM 0 HD12 LEU B 67 -8.914 -2.335 -6.080 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -9.751 -3.700 -5.305 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -11.414 -1.968 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -10.542 -3.433 -2.875 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -10.239 -1.886 -2.051 1.00 0.00 H new ATOM 1855 N HIS B 68 -5.020 -1.251 -2.886 1.00 0.00 N ATOM 1856 CA HIS B 68 -3.805 -1.325 -2.084 1.00 0.00 C ATOM 1857 C HIS B 68 -4.099 -1.700 -0.638 1.00 0.00 C ATOM 1858 O HIS B 68 -5.003 -1.148 -0.011 1.00 0.00 O ATOM 1859 CB HIS B 68 -3.050 0.001 -2.136 1.00 0.00 C ATOM 1860 CG HIS B 68 -2.485 0.320 -3.487 1.00 0.00 C ATOM 1861 ND1 HIS B 68 -1.725 1.442 -3.738 1.00 0.00 N ATOM 1862 CD2 HIS B 68 -2.563 -0.350 -4.661 1.00 0.00 C ATOM 1863 CE1 HIS B 68 -1.361 1.448 -5.007 1.00 0.00 C ATOM 1864 NE2 HIS B 68 -1.855 0.372 -5.588 1.00 0.00 N ATOM 0 H HIS B 68 -5.429 -0.319 -2.953 1.00 0.00 H new ATOM 0 HA HIS B 68 -3.183 -2.112 -2.511 1.00 0.00 H new ATOM 0 HB2 HIS B 68 -3.723 0.804 -1.834 1.00 0.00 H new ATOM 0 HB3 HIS B 68 -2.238 -0.025 -1.409 1.00 0.00 H new ATOM 0 HD2 HIS B 68 -3.085 -1.279 -4.835 1.00 0.00 H new ATOM 0 HE1 HIS B 68 -0.760 2.206 -5.488 1.00 0.00 H new ATOM 0 HE2 HIS B 68 -1.731 0.118 -6.568 1.00 0.00 H new ATOM 1873 N LEU B 69 -3.314 -2.634 -0.113 1.00 0.00 N ATOM 1874 CA LEU B 69 -3.463 -3.084 1.263 1.00 0.00 C ATOM 1875 C LEU B 69 -2.292 -2.588 2.106 1.00 0.00 C ATOM 1876 O LEU B 69 -1.136 -2.688 1.693 1.00 0.00 O ATOM 1877 CB LEU B 69 -3.538 -4.613 1.319 1.00 0.00 C ATOM 1878 CG LEU B 69 -3.744 -5.206 2.715 1.00 0.00 C ATOM 1879 CD1 LEU B 69 -5.066 -4.741 3.306 1.00 0.00 C ATOM 1880 CD2 LEU B 69 -3.689 -6.725 2.661 1.00 0.00 C ATOM 0 H LEU B 69 -2.563 -3.096 -0.625 1.00 0.00 H new ATOM 0 HA LEU B 69 -4.389 -2.673 1.665 1.00 0.00 H new ATOM 0 HB2 LEU B 69 -4.354 -4.944 0.677 1.00 0.00 H new ATOM 0 HB3 LEU B 69 -2.618 -5.021 0.901 1.00 0.00 H new ATOM 0 HG LEU B 69 -2.939 -4.854 3.359 1.00 0.00 H new ATOM 0 HD11 LEU B 69 -5.193 -5.174 4.298 1.00 0.00 H new ATOM 0 HD12 LEU B 69 -5.068 -3.654 3.381 1.00 0.00 H new ATOM 0 HD13 LEU B 69 -5.885 -5.062 2.663 1.00 0.00 H new ATOM 0 HD21 LEU B 69 -3.837 -7.130 3.662 1.00 0.00 H new ATOM 0 HD22 LEU B 69 -4.473 -7.094 2.000 1.00 0.00 H new ATOM 0 HD23 LEU B 69 -2.717 -7.041 2.282 1.00 0.00 H new ATOM 1892 N VAL B 70 -2.593 -2.050 3.283 1.00 0.00 N ATOM 1893 CA VAL B 70 -1.556 -1.537 4.171 1.00 0.00 C ATOM 1894 C VAL B 70 -1.801 -1.982 5.609 1.00 0.00 C ATOM 1895 O VAL B 70 -2.872 -1.750 6.169 1.00 0.00 O ATOM 1896 CB VAL B 70 -1.483 0.003 4.121 1.00 0.00 C ATOM 1897 CG1 VAL B 70 -0.350 0.518 4.996 1.00 0.00 C ATOM 1898 CG2 VAL B 70 -1.318 0.488 2.686 1.00 0.00 C ATOM 0 H VAL B 70 -3.543 -1.958 3.643 1.00 0.00 H new ATOM 0 HA VAL B 70 -0.607 -1.945 3.824 1.00 0.00 H new ATOM 0 HB VAL B 70 -2.421 0.400 4.510 1.00 0.00 H new ATOM 0 HG11 VAL B 70 -0.317 1.606 4.946 1.00 0.00 H new ATOM 0 HG12 VAL B 70 -0.517 0.207 6.027 1.00 0.00 H new ATOM 0 HG13 VAL B 70 0.597 0.110 4.643 1.00 0.00 H new ATOM 0 HG21 VAL B 70 -1.269 1.577 2.673 1.00 0.00 H new ATOM 0 HG22 VAL B 70 -0.399 0.078 2.267 1.00 0.00 H new ATOM 0 HG23 VAL B 70 -2.168 0.156 2.090 1.00 0.00 H new ATOM 1908 N LEU B 71 -0.797 -2.626 6.195 1.00 0.00 N ATOM 1909 CA LEU B 71 -0.888 -3.115 7.566 1.00 0.00 C ATOM 1910 C LEU B 71 -0.297 -2.109 8.548 1.00 0.00 C ATOM 1911 O LEU B 71 0.823 -1.634 8.361 1.00 0.00 O ATOM 1912 CB LEU B 71 -0.153 -4.452 7.694 1.00 0.00 C ATOM 1913 CG LEU B 71 -0.203 -5.094 9.082 1.00 0.00 C ATOM 1914 CD1 LEU B 71 -1.618 -5.544 9.412 1.00 0.00 C ATOM 1915 CD2 LEU B 71 0.764 -6.265 9.160 1.00 0.00 C ATOM 0 H LEU B 71 0.094 -2.822 5.739 1.00 0.00 H new ATOM 0 HA LEU B 71 -1.942 -3.253 7.807 1.00 0.00 H new ATOM 0 HB2 LEU B 71 -0.576 -5.151 6.973 1.00 0.00 H new ATOM 0 HB3 LEU B 71 0.891 -4.302 7.418 1.00 0.00 H new ATOM 0 HG LEU B 71 0.099 -4.349 9.818 1.00 0.00 H new ATOM 0 HD11 LEU B 71 -1.634 -5.998 10.403 1.00 0.00 H new ATOM 0 HD12 LEU B 71 -2.286 -4.683 9.397 1.00 0.00 H new ATOM 0 HD13 LEU B 71 -1.949 -6.274 8.673 1.00 0.00 H new ATOM 0 HD21 LEU B 71 0.716 -6.711 10.154 1.00 0.00 H new ATOM 0 HD22 LEU B 71 0.492 -7.012 8.414 1.00 0.00 H new ATOM 0 HD23 LEU B 71 1.778 -5.913 8.968 1.00 0.00 H new ATOM 1927 N ARG B 72 -1.046 -1.801 9.602 1.00 0.00 N ATOM 1928 CA ARG B 72 -0.578 -0.863 10.616 1.00 0.00 C ATOM 1929 C ARG B 72 0.605 -1.452 11.380 1.00 0.00 C ATOM 1930 O ARG B 72 0.553 -2.595 11.834 1.00 0.00 O ATOM 1931 CB ARG B 72 -1.708 -0.512 11.585 1.00 0.00 C ATOM 1932 CG ARG B 72 -2.868 0.220 10.929 1.00 0.00 C ATOM 1933 CD ARG B 72 -3.955 0.561 11.935 1.00 0.00 C ATOM 1934 NE ARG B 72 -5.054 1.304 11.324 1.00 0.00 N ATOM 1935 CZ ARG B 72 -4.923 2.519 10.795 1.00 0.00 C ATOM 1936 NH1 ARG B 72 -3.752 3.144 10.830 1.00 0.00 N ATOM 1937 NH2 ARG B 72 -5.968 3.115 10.237 1.00 0.00 N ATOM 0 H ARG B 72 -1.975 -2.185 9.776 1.00 0.00 H new ATOM 0 HA ARG B 72 -0.253 0.049 10.115 1.00 0.00 H new ATOM 0 HB2 ARG B 72 -2.080 -1.428 12.043 1.00 0.00 H new ATOM 0 HB3 ARG B 72 -1.307 0.106 12.389 1.00 0.00 H new ATOM 0 HG2 ARG B 72 -2.504 1.135 10.462 1.00 0.00 H new ATOM 0 HG3 ARG B 72 -3.287 -0.398 10.135 1.00 0.00 H new ATOM 0 HD2 ARG B 72 -4.340 -0.358 12.377 1.00 0.00 H new ATOM 0 HD3 ARG B 72 -3.526 1.150 12.746 1.00 0.00 H new ATOM 0 HE ARG B 72 -5.975 0.867 11.301 1.00 0.00 H new ATOM 0 HH11 ARG B 72 -2.946 2.694 11.264 1.00 0.00 H new ATOM 0 HH12 ARG B 72 -3.658 4.075 10.423 1.00 0.00 H new ATOM 0 HH21 ARG B 72 -6.872 2.643 10.213 1.00 0.00 H new ATOM 0 HH22 ARG B 72 -5.868 4.046 9.832 1.00 0.00 H new